#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 5.25 -0.02 6.12 8.00 -1.26 -4.81 116.55 129.83 1ap4 n ASP 2 Ca 0.00 -3.71 -0.15 0.00 0.71 0.00 0.00 54.79 51.63 1ap4 n ASP 2 Cb 0.00 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.33 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1ap4 h ASP 3 N 3.03 0.34 -1.00 -2.24 1.82 -2.01 -3.11 116.42 113.25 1ap4 h ASP 3 Ca 0.28 -0.71 0.29 0.00 -0.39 0.00 0.00 57.03 56.50 1ap4 h ASP 3 Cb 0.56 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 1ap4 h ASP 3 CO 0.94 1.00 0.86 0.16 -1.61 0.00 0.00 179.24 180.58 1ap4 h ILE 4 N -0.29 0.29 0.15 2.25 3.07 -2.02 0.27 117.51 121.22 1ap4 h ILE 4 Ca -0.03 0.00 -0.23 0.00 1.55 0.00 0.00 64.86 66.15 1ap4 h ILE 4 Cb 1.02 0.36 0.03 0.00 -0.27 0.00 0.00 36.82 37.96 1ap4 h ILE 4 CO 0.07 0.00 -0.98 1.88 -1.05 0.00 0.00 178.15 178.06 1ap4 h TYR 5 N 0.00 0.71 -1.15 0.16 0.05 -1.94 -3.27 116.97 111.53 1ap4 h TYR 5 Ca 0.48 -0.49 0.33 0.00 0.05 0.00 0.00 58.73 59.10 1ap4 h TYR 5 Cb 2.18 -0.04 -0.10 0.00 1.01 0.00 0.00 36.73 39.78 1ap4 h TYR 5 CO 0.00 1.37 0.75 0.87 -1.05 0.00 0.00 178.16 180.09 1ap4 h LYS 6 N -0.15 0.25 0.00 4.88 1.79 -0.42 1.59 116.57 124.50 1ap4 h LYS 6 Ca -0.17 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1ap4 h LYS 6 Cb 1.75 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.34 1ap4 h LYS 6 CO 0.19 0.16 -0.05 0.00 -1.08 0.00 0.00 179.45 178.67 1ap4 h ALA 7 N 1.60 0.99 0.10 3.86 0.00 -1.59 -3.23 119.26 120.99 1ap4 h ALA 7 Ca 0.68 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.40 1ap4 h ALA 7 Cb 1.95 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.75 1ap4 h ALA 7 CO -0.33 0.06 -0.62 0.00 0.00 0.00 0.00 179.25 178.36 1ap4 h ALA 8 N 1.95 -0.06 -0.73 0.00 0.00 0.22 -3.25 119.26 117.39 1ap4 h ALA 8 Ca -0.00 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.48 1ap4 h ALA 8 Cb 0.75 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1ap4 h ALA 8 CO 0.01 0.29 0.61 0.28 0.00 0.00 0.00 179.25 180.44 1ap4 h VAL 9 N -0.48 0.45 0.00 0.00 2.07 -1.41 0.83 116.25 117.71 1ap4 h VAL 9 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ap4 h VAL 9 Cb 1.47 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1ap4 h VAL 9 CO 0.12 0.00 -0.16 -0.08 0.02 0.00 0.00 177.57 177.47 1ap4 h GLU 10 N 0.00 0.00 0.00 1.57 4.81 -1.64 -3.22 114.58 116.10 1ap4 h GLU 10 Ca 0.35 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1ap4 h GLU 10 Cb 1.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 1ap4 h GLU 10 CO -0.00 0.00 -0.35 1.96 -0.73 0.00 0.00 179.01 179.88 1ap4 h GLN 11 N 0.00 0.00 -6.73 1.92 7.50 0.65 -3.45 115.11 115.00 1ap4 h GLN 11 Ca 0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1ap4 h GLN 11 Cb 0.81 0.00 0.11 0.00 0.05 0.00 0.00 27.48 28.45 1ap4 h GLN 11 CO 0.00 0.35 0.48 1.28 -1.50 0.00 0.00 178.83 179.44 1ap4 n LEU 12 N -3.30 3.46 -4.86 1.46 4.77 -1.19 -4.96 117.00 112.38 1ap4 n LEU 12 Ca 0.01 1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 56.89 1ap4 n LEU 12 Cb 0.59 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1ap4 n LEU 12 CO 0.37 -0.57 0.73 0.42 -1.33 0.00 0.00 177.39 177.02 1ap4 s THR 13 N -1.10 3.53 0.05 -5.08 -4.23 -1.26 -4.87 115.64 102.67 1ap4 s THR 13 Ca 0.56 0.50 0.30 0.00 -1.18 0.00 0.00 61.69 61.87 1ap4 s THR 13 Cb -0.57 -3.40 0.31 0.00 1.34 0.00 0.00 72.50 70.18 1ap4 s THR 13 CO 0.62 -0.65 1.93 -0.33 -0.54 0.00 0.00 174.62 175.65 1ap4 h GLU 14 N -0.75 0.00 -0.00 3.99 5.08 -1.98 -1.54 114.58 119.39 1ap4 h GLU 14 Ca -0.45 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 1ap4 h GLU 14 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1ap4 h GLU 14 CO 0.62 0.00 -0.75 1.05 -1.00 0.00 0.00 179.01 178.93 1ap4 h GLU 15 N 0.00 0.03 0.00 2.33 4.11 -1.99 -2.53 114.58 116.54 1ap4 h GLU 15 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ap4 h GLU 15 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ap4 h GLU 15 CO 0.00 0.76 -0.01 1.96 0.07 0.00 0.00 179.01 181.80 1ap4 h GLN 16 N 0.02 0.00 -0.75 1.06 4.20 -1.64 -3.19 115.11 114.81 1ap4 h GLN 16 Ca -0.01 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.92 1ap4 h GLN 16 Cb 1.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1ap4 h GLN 16 CO 0.10 0.01 0.61 0.87 -0.67 0.00 0.00 178.83 179.76 1ap4 h LYS 17 N -1.00 0.00 0.00 1.46 1.57 -1.65 0.67 116.57 117.63 1ap4 h LYS 17 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1ap4 h LYS 17 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ap4 h LYS 17 CO -0.00 0.00 -0.38 -0.91 -0.57 0.00 0.00 179.45 177.59 1ap4 h ASN 18 N 0.00 0.00 0.10 0.86 2.35 -1.52 -2.83 115.58 114.54 1ap4 h ASN 18 Ca 0.36 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.97 1ap4 h ASN 18 Cb 1.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.96 1ap4 h ASN 18 CO -0.00 0.38 -0.61 -0.08 -1.65 0.00 0.00 177.43 175.47 1ap4 h GLU 19 N 0.00 0.22 0.00 0.81 4.81 0.36 -3.24 114.58 117.54 1ap4 h GLU 19 Ca -0.00 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1ap4 h GLU 19 Cb 0.85 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1ap4 h GLU 19 CO 0.05 1.18 -0.00 0.74 -0.73 0.00 0.00 179.01 180.24 1ap4 h PHE 20 N -0.55 0.00 -0.21 0.92 0.04 -1.46 -1.98 116.94 113.70 1ap4 h PHE 20 Ca -0.11 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.56 1ap4 h PHE 20 Cb 1.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.62 1ap4 h PHE 20 CO 0.22 0.00 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.45 1ap4 h LYS 21 N 0.00 0.55 -0.19 1.51 3.64 -1.52 0.18 116.57 120.73 1ap4 h LYS 21 Ca -0.00 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 1ap4 h LYS 21 Cb 0.05 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1ap4 h LYS 21 CO 0.00 0.90 -0.27 0.00 -2.27 0.00 0.00 179.45 177.82 1ap4 h ALA 22 N 0.64 0.29 0.12 5.00 0.00 -1.45 -3.03 119.26 120.83 1ap4 h ALA 22 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ap4 h ALA 22 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ap4 h ALA 22 CO 0.06 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 1ap4 h ALA 23 N 0.61 -0.16 -1.12 0.00 0.00 -1.49 -3.00 119.26 114.10 1ap4 h ALA 23 Ca 0.02 -0.20 0.35 0.00 0.00 0.00 0.00 54.91 55.08 1ap4 h ALA 23 Cb 0.84 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 1ap4 h ALA 23 CO 0.06 -0.38 0.69 0.35 0.00 0.00 0.00 179.25 179.97 1ap4 h PHE 24 N -0.57 0.72 0.00 0.00 3.04 -0.71 2.18 116.94 121.59 1ap4 h PHE 24 Ca -0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ap4 h PHE 24 Cb 0.45 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1ap4 h PHE 24 CO 0.05 -0.14 0.00 -0.25 -2.02 0.00 0.00 178.31 175.96 1ap4 n ASP 25 N -4.83 0.55 0.07 0.41 9.92 -1.14 -2.67 116.55 118.87 1ap4 n ASP 25 Ca 0.32 0.63 -0.11 0.00 -0.53 0.00 0.00 54.79 55.10 1ap4 n ASP 25 Cb 1.12 -0.75 -0.13 0.00 -0.64 0.00 0.00 41.12 40.73 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 1.57 0.07 0.53 1.08 0.36 -3.15 117.51 117.97 1ap4 h ILE 26 Ca 0.00 -3.23 -0.27 0.00 -0.39 0.00 0.00 64.86 60.97 1ap4 h ILE 26 Cb 0.38 2.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.98 1ap4 h ILE 26 CO 0.00 0.92 -1.33 -0.26 -0.69 0.00 0.00 178.15 176.79 1ap4 h PHE 27 N 0.03 0.29 -0.17 1.37 0.04 -1.41 -3.23 116.94 113.86 1ap4 h PHE 27 Ca -0.08 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1ap4 h PHE 27 Cb 1.87 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.01 1ap4 h PHE 27 CO 0.03 1.21 0.00 1.33 -0.60 0.00 0.00 178.31 180.28 1ap4 n VAL 28 N -3.40 0.30 -0.30 -0.55 0.24 -1.10 -4.58 118.33 108.95 1ap4 n VAL 28 Ca -0.10 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 1ap4 n VAL 28 Cb 1.01 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.39 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ap4 n LEU 29 N 0.03 2.00 0.00 1.34 -0.00 -1.19 -2.04 117.00 117.14 1ap4 n LEU 29 Ca 0.06 -1.74 0.00 0.00 -0.00 0.00 0.00 56.01 54.33 1ap4 n LEU 29 Cb 0.20 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1ap4 n LEU 29 CO 0.05 -0.44 0.00 0.61 -0.00 0.00 0.00 177.39 177.61 1ap4 n GLY 30 N 3.83 -0.42 0.99 1.47 0.00 -1.26 -5.12 105.19 104.68 1ap4 n GLY 30 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.04 0.07 4.61 0.00 -0.87 -4.89 120.51 118.39 1ap4 n ALA 31 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.15 1ap4 n ALA 31 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ap4 h GLU 32 N 0.00 0.00 0.00 0.00 5.08 -1.91 -3.40 114.58 114.35 1ap4 h GLU 32 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ap4 h GLU 32 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ap4 h GLU 32 CO 0.05 0.36 -0.10 -0.40 -1.00 0.00 0.00 179.01 177.92 1ap4 n ASP 33 N -3.00 0.00 -0.94 1.42 5.75 -1.26 -5.03 116.55 113.48 1ap4 n ASP 33 Ca -0.05 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 1ap4 n ASP 33 Cb 0.80 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 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 0.00 0.88 3.36 6.12 0.00 -1.26 -5.11 105.19 109.17 1ap4 n GLY 34 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.40 2.70 1.16 0.00 1.01 -1.19 -3.69 121.20 117.78 1ap4 s ILE 36 Ca 0.36 -3.34 -0.14 0.00 0.00 0.00 0.00 60.65 57.53 1ap4 s ILE 36 Cb 0.02 -2.86 0.27 0.00 0.01 0.00 0.00 42.46 39.90 1ap4 s ILE 36 CO 0.23 -0.82 1.04 -0.44 0.00 0.00 0.00 174.94 174.95 1ap4 s SER 37 N -0.27 1.14 0.13 3.58 0.01 -1.26 -1.70 113.70 115.34 1ap4 s SER 37 Ca 0.17 1.31 -0.13 0.00 1.31 0.00 0.00 55.95 58.62 1ap4 s SER 37 Cb -0.25 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1ap4 s SER 37 CO -0.01 -4.07 1.52 0.71 0.41 0.00 0.00 173.24 171.79 1ap4 h THR 38 N -2.54 1.28 -1.55 1.44 1.35 -1.94 -2.34 112.91 108.61 1ap4 h THR 38 Ca -0.59 -1.31 0.45 0.00 -0.55 0.00 0.00 66.41 64.41 1ap4 h THR 38 Cb 1.34 1.25 -0.06 0.00 -1.73 0.00 0.00 68.15 68.95 1ap4 h THR 38 CO 0.51 0.44 1.14 0.07 -0.25 0.00 0.00 175.52 177.43 1ap4 h LYS 39 N 0.66 0.00 0.00 4.72 2.10 -1.91 0.34 116.57 122.48 1ap4 h LYS 39 Ca 0.09 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.44 1ap4 h LYS 39 Cb 0.73 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.01 1ap4 h LYS 39 CO 0.06 0.00 -2.31 0.39 -2.00 0.00 0.00 179.45 175.59 1ap4 n GLU 40 N -4.00 0.68 -0.34 0.07 1.02 -1.09 -4.48 120.64 112.51 1ap4 n GLU 40 Ca 0.34 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 1ap4 n GLU 40 Cb 1.62 -1.52 0.08 0.00 -0.02 0.00 0.00 31.44 31.60 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ap4 h LEU 41 N 0.00 -1.12 -0.21 -4.62 7.12 0.24 0.23 115.31 116.96 1ap4 h LEU 41 Ca -0.45 0.29 0.02 0.00 0.13 0.00 0.00 57.88 57.87 1ap4 h LEU 41 Cb 2.02 0.65 -0.03 0.00 -0.53 0.00 0.00 40.66 42.77 1ap4 h LEU 41 CO 0.03 -0.30 -0.21 1.23 -0.13 0.00 0.00 178.44 179.05 1ap4 h GLY 42 N -0.02 -1.71 1.31 3.75 0.00 -1.78 1.18 103.07 105.80 1ap4 h GLY 42 Ca 0.39 0.85 0.08 0.00 0.00 0.00 0.00 47.33 48.65 1ap4 h GLY 42 CO -0.95 -0.54 0.28 0.50 0.00 0.00 0.00 176.54 175.83 1ap4 h LYS 43 N -0.11 0.18 -0.02 4.80 1.57 -1.44 0.01 116.57 121.56 1ap4 h LYS 43 Ca 0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ap4 h LYS 43 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ap4 h LYS 43 CO -0.25 0.12 -0.00 0.28 -0.57 0.00 0.00 179.45 179.02 1ap4 h VAL 44 N 0.19 1.29 0.00 0.50 2.07 0.31 -2.73 116.25 117.87 1ap4 h VAL 44 Ca 0.19 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1ap4 h VAL 44 Cb 0.49 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ap4 h VAL 44 CO -0.03 0.23 -0.03 0.24 0.02 0.00 0.00 177.57 178.00 1ap4 h MET 45 N -0.31 0.00 -0.07 1.57 2.86 0.19 -0.98 114.93 118.18 1ap4 h MET 45 Ca 0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1ap4 h MET 45 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1ap4 h MET 45 CO 0.00 0.03 -0.06 0.00 1.06 0.00 0.00 176.91 177.94 1ap4 h ARG 46 N 0.00 0.17 0.14 1.72 3.08 -0.77 0.39 114.38 119.12 1ap4 h ARG 46 Ca -0.00 -0.09 -0.29 0.00 0.07 0.00 0.00 59.98 59.68 1ap4 h ARG 46 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 1ap4 h ARG 46 CO 0.00 0.59 -1.27 0.00 -1.07 0.00 0.00 179.97 178.23 1ap4 h MET 47 N -0.25 0.40 -0.51 0.04 -0.00 -1.39 -3.21 114.93 110.01 1ap4 h MET 47 Ca 0.01 -0.63 0.15 0.00 -0.00 0.00 0.00 59.70 59.24 1ap4 h MET 47 Cb 0.56 0.22 -0.02 0.00 -0.00 0.00 0.00 31.60 32.36 1ap4 h MET 47 CO 0.02 1.28 0.57 -0.07 -0.00 0.00 0.00 176.91 178.71 1ap4 h LEU 48 N 0.14 0.00 0.00 -0.10 3.38 -1.24 -3.43 115.31 114.06 1ap4 h LEU 48 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ap4 h LEU 48 Cb 1.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1ap4 h LEU 48 CO 0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1ap4 n GLY 49 N -1.52 1.90 3.64 0.83 0.00 -1.19 -5.08 105.19 103.77 1ap4 n GLY 49 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 2.02 -0.42 1.61 -1.52 0.14 -5.03 119.66 116.46 1ap4 s GLN 50 Ca 0.00 -2.22 0.09 0.00 -1.95 0.00 0.00 55.36 51.28 1ap4 s GLN 50 Cb 0.00 -1.33 0.32 0.00 -0.22 0.00 0.00 33.01 31.78 1ap4 s GLN 50 CO 0.00 -0.27 0.87 -1.71 -0.25 0.00 0.00 175.29 173.93 1ap4 n ASN 51 N -1.12 -0.72 -4.79 5.90 4.05 -1.26 -3.71 115.26 113.61 1ap4 n ASN 51 Ca -0.11 -3.26 -0.32 0.00 0.45 0.00 0.00 54.58 51.34 1ap4 n ASN 51 Cb 0.67 0.53 0.04 0.00 1.23 0.00 0.00 39.78 42.24 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1ap4 s PRO 52 N -1.05 2.96 0.75 1.20 0.04 -1.26 -5.05 135.00 132.59 1ap4 s PRO 52 Ca 0.32 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1ap4 s PRO 52 Cb 0.30 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.93 1ap4 s PRO 52 CO -0.09 -1.10 1.07 0.95 0.04 0.00 0.00 177.00 177.87 1ap4 s THR 53 N -2.61 2.19 0.23 1.26 -4.23 -1.26 -4.93 115.64 106.28 1ap4 s THR 53 Ca 0.63 -0.21 0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1ap4 s THR 53 Cb -0.17 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.72 1ap4 s THR 53 CO 0.45 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.72 1ap4 h PRO 54 N -0.77 0.00 0.23 3.99 0.13 -2.00 -2.52 132.00 131.07 1ap4 h PRO 54 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1ap4 h PRO 54 Cb 1.31 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.48 1ap4 h PRO 54 CO 0.59 0.54 -1.42 0.93 -0.23 0.00 0.00 178.00 178.41 1ap4 h GLU 55 N 0.00 0.49 -0.39 0.86 5.08 -2.02 -3.31 114.58 115.29 1ap4 h GLU 55 Ca -0.01 -0.85 -0.08 0.00 -1.00 0.00 0.00 59.36 57.43 1ap4 h GLU 55 Cb 1.04 0.31 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1ap4 h GLU 55 CO 0.07 1.40 -0.10 0.93 -1.00 0.00 0.00 179.01 180.32 1ap4 h GLU 56 N 0.06 0.68 0.00 2.33 4.39 -1.94 -3.09 114.58 117.01 1ap4 h GLU 56 Ca -0.25 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ap4 h GLU 56 Cb 2.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1ap4 h GLU 56 CO 0.25 0.76 0.00 1.28 -1.16 0.00 0.00 179.01 180.14 1ap4 n LEU 57 N -4.18 0.00 -0.25 1.33 4.77 -0.95 0.11 117.00 117.82 1ap4 n LEU 57 Ca 0.01 0.89 0.05 0.00 -0.03 0.00 0.00 56.01 56.94 1ap4 n LEU 57 Cb 0.34 -0.39 0.16 0.00 -2.33 0.00 0.00 43.42 41.20 1ap4 n LEU 57 CO 0.42 -0.39 0.86 -0.61 -1.33 0.00 0.00 177.39 176.33 1ap4 h GLN 58 N 0.00 0.14 0.73 3.23 -0.00 -1.70 0.10 115.11 117.61 1ap4 h GLN 58 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1ap4 h GLN 58 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 1ap4 h GLN 58 CO 0.00 0.09 -0.50 0.93 0.00 0.00 0.00 178.83 179.35 1ap4 h GLU 59 N 0.15 -1.13 -0.76 1.69 5.08 -1.22 0.31 114.58 118.69 1ap4 h GLU 59 Ca 0.41 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 59.01 1ap4 h GLU 59 Cb 0.72 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1ap4 h GLU 59 CO -0.61 -0.75 0.52 1.98 -1.00 0.00 0.00 179.01 179.15 1ap4 h MET 60 N -1.17 0.32 -0.00 2.33 4.05 0.15 0.61 114.93 121.22 1ap4 h MET 60 Ca -0.10 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1ap4 h MET 60 Cb 0.95 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1ap4 h MET 60 CO 0.07 0.21 -0.13 -0.89 0.23 0.00 0.00 176.91 176.40 1ap4 n ILE 61 N -4.46 0.00 -0.06 1.77 5.41 0.29 -3.31 119.36 119.00 1ap4 n ILE 61 Ca 0.15 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 1ap4 n ILE 61 Cb 0.61 -0.06 -0.15 0.00 -0.71 0.00 0.00 39.64 39.33 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 -0.96 0.69 -0.33 4.38 2.03 0.20 -2.95 116.55 119.62 1ap4 n ASP 62 Ca 0.14 0.17 0.13 0.00 0.52 0.00 0.00 54.79 55.75 1ap4 n ASP 62 Cb 0.29 0.31 0.46 0.00 -0.72 0.00 0.00 41.12 41.46 1ap4 n ASP 62 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ap4 n GLU 63 N -2.97 1.16 -0.05 -0.67 0.28 -0.73 -4.12 120.64 113.55 1ap4 n GLU 63 Ca -0.28 -0.66 -0.06 0.00 -0.16 0.00 0.00 57.16 56.00 1ap4 n GLU 63 Cb 1.09 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 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 -0.34 0.60 -1.74 3.84 3.14 -1.21 -4.89 118.33 117.73 1ap4 n VAL 64 Ca 0.15 -0.29 -0.38 0.00 -2.96 0.00 0.00 64.34 60.86 1ap4 n VAL 64 Cb 0.34 -0.83 0.05 0.00 -1.06 0.00 0.00 33.84 32.34 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 -2.58 2.51 0.00 6.55 -0.08 -1.15 -4.88 116.55 116.92 1ap4 n ASP 65 Ca -0.17 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 1ap4 n ASP 65 Cb 0.74 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1ap4 n ASP 65 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ap4 n GLU 66 N -1.30 2.35 -0.03 -0.67 4.07 -1.26 -4.70 120.64 119.10 1ap4 n GLU 66 Ca 0.12 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.29 1ap4 n GLU 66 Cb 0.46 -0.81 0.35 0.00 -0.06 0.00 0.00 31.44 31.38 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1ap4 n ASP 67 N -1.46 0.40 -4.31 4.31 5.68 -1.26 -4.87 116.55 115.04 1ap4 n ASP 67 Ca 0.00 -1.66 -0.38 0.00 -0.50 0.00 0.00 54.79 52.25 1ap4 n ASP 67 Cb 0.31 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.21 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 0.79 -0.42 0.08 6.12 0.00 -1.26 -4.79 105.19 105.70 1ap4 n GLY 68 Ca 0.10 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.61 0.44 0.00 1.61 3.41 -1.26 -4.97 113.62 110.23 1ap4 n SER 69 Ca 0.07 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ap4 n SER 69 Cb 0.49 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 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 1.56 0.27 3.64 5.00 0.00 -1.26 -5.07 105.19 109.33 1ap4 n GLY 70 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 3.00 -0.37 2.61 -4.23 -1.26 -3.92 115.64 109.47 1ap4 s THR 71 Ca 0.00 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1ap4 s THR 71 Cb 0.00 -2.81 0.07 0.00 1.34 0.00 0.00 72.50 71.11 1ap4 s THR 71 CO 0.00 -0.28 0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 1ap4 s VAL 72 N -2.43 3.50 0.64 2.29 1.01 -0.69 -4.94 120.40 119.79 1ap4 s VAL 72 Ca 0.34 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1ap4 s VAL 72 Cb -0.03 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1ap4 s VAL 72 CO 0.20 -0.40 0.92 -0.62 0.00 0.00 0.00 175.10 175.19 1ap4 s ASP 73 N 1.66 4.96 0.45 3.32 2.15 -1.26 -3.14 116.67 124.81 1ap4 s ASP 73 Ca 0.02 0.21 0.28 0.00 0.43 0.00 0.00 52.55 53.49 1ap4 s ASP 73 Cb -0.21 -0.94 1.34 0.00 -0.30 0.00 0.00 42.92 42.81 1ap4 s ASP 73 CO -0.01 -1.44 1.72 0.15 -0.17 0.00 0.00 175.17 175.43 1ap4 h PHE 74 N -0.33 0.42 -0.21 -5.34 3.57 -1.97 1.53 116.94 114.62 1ap4 h PHE 74 Ca -0.43 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 1ap4 h PHE 74 Cb 1.30 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ap4 h PHE 74 CO 0.30 -0.04 -0.06 0.22 -2.23 0.00 0.00 178.31 176.51 1ap4 h ASP 75 N 0.18 0.40 0.18 0.41 1.82 -2.01 -3.03 116.42 114.38 1ap4 h ASP 75 Ca 0.68 -0.37 -0.33 0.00 -0.39 0.00 0.00 57.03 56.61 1ap4 h ASP 75 Cb 2.15 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 42.06 1ap4 h ASP 75 CO -0.25 0.68 -1.65 -0.33 -1.61 0.00 0.00 179.24 176.09 1ap4 h GLU 76 N 0.12 0.37 -0.07 0.28 5.08 -0.90 -3.29 114.58 116.18 1ap4 h GLU 76 Ca 0.05 -0.64 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1ap4 h GLU 76 Cb 0.51 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1ap4 h GLU 76 CO 0.02 1.31 -0.17 0.35 -1.00 0.00 0.00 179.01 179.51 1ap4 h PHE 77 N 0.02 -0.52 -0.72 4.33 3.57 0.19 -0.56 116.94 123.24 1ap4 h PHE 77 Ca -0.33 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.35 1ap4 h PHE 77 Cb 2.03 0.24 -0.12 0.00 2.79 0.00 0.00 35.95 40.89 1ap4 h PHE 77 CO 0.11 -0.17 0.09 -0.07 -2.23 0.00 0.00 178.31 176.04 1ap4 h LEU 78 N -0.17 -0.17 -0.42 0.59 3.38 -1.72 -0.53 115.31 116.28 1ap4 h LEU 78 Ca 0.01 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1ap4 h LEU 78 Cb 0.21 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1ap4 h LEU 78 CO -0.15 -0.11 -0.09 0.58 0.09 0.00 0.00 178.44 178.76 1ap4 h VAL 79 N 0.18 0.60 -0.83 1.22 2.07 -1.36 -0.42 116.25 117.70 1ap4 h VAL 79 Ca 0.40 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 68.06 1ap4 h VAL 79 Cb 0.70 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 1ap4 h VAL 79 CO -0.57 0.00 0.41 -0.03 0.02 0.00 0.00 177.57 177.40 1ap4 h MET 80 N 0.02 0.56 0.68 1.57 -1.53 0.43 0.18 114.93 116.85 1ap4 h MET 80 Ca 0.20 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.40 1ap4 h MET 80 Cb 0.31 -0.13 0.01 0.00 -0.55 0.00 0.00 31.60 31.24 1ap4 h MET 80 CO -0.42 0.37 -0.33 0.52 0.14 0.00 0.00 176.91 177.20 1ap4 h MET 81 N 0.58 -0.88 -0.22 0.39 2.07 -0.89 -2.52 114.93 113.46 1ap4 h MET 81 Ca 0.46 0.06 0.06 0.00 -2.07 0.00 0.00 59.70 58.21 1ap4 h MET 81 Cb 0.66 0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 1ap4 h MET 81 CO -0.38 -0.55 0.24 -0.24 1.07 0.00 0.00 176.91 177.05 1ap4 h VAL 82 N -1.10 0.47 -0.37 -2.22 3.04 -0.78 -0.93 116.25 114.35 1ap4 h VAL 82 Ca -0.09 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.47 1ap4 h VAL 82 Cb 0.73 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 1ap4 h VAL 82 CO 0.15 0.00 -0.27 0.03 -1.01 0.00 0.00 177.57 176.48 1ap4 h ARG 83 N 0.00 0.83 -3.04 4.17 3.08 -0.29 -3.36 114.38 115.78 1ap4 h ARG 83 Ca 0.10 -0.40 -0.65 0.00 0.07 0.00 0.00 59.98 59.10 1ap4 h ARG 83 Cb 0.58 -0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.23 1ap4 h ARG 83 CO -0.00 1.04 -0.36 0.00 -1.07 0.00 0.00 179.97 179.58 1ap4 n MET 85 N 1.90 0.00 0.00 0.00 0.00 -1.22 -4.89 117.12 112.91 1ap4 n MET 85 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1ap4 n MET 85 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.58 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 0.00 0.00 -3.38 3.17 5.02 -1.26 -4.93 118.16 116.78 1ap4 n LYS 86 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1ap4 n LYS 86 Cb 0.00 -0.79 0.06 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.40 -6.31 0.00 4.39 2.03 -1.26 -4.65 116.55 110.34 1ap4 n ASP 87 Ca 0.00 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.55 1ap4 n ASP 87 Cb 0.00 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 35.79 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ap4 n ASP 88 N -2.94 -1.46 0.00 1.67 2.03 -1.26 -5.18 116.55 109.41 1ap4 n ASP 88 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1ap4 n ASP 88 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04