#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 -6.91 -0.09 7.83 9.92 -1.26 -4.95 116.55 121.09 1ap4 n ASP 2 Ca 0.00 0.96 0.01 0.00 -0.53 0.00 0.00 54.79 55.23 1ap4 n ASP 2 Cb 0.00 -3.49 0.01 0.00 -0.64 0.00 0.00 41.12 36.99 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ap4 n ASP 3 N 1.13 0.56 0.21 -2.24 8.00 -1.26 -4.78 116.55 118.18 1ap4 n ASP 3 Ca -0.03 -1.50 0.11 0.00 0.71 0.00 0.00 54.79 54.08 1ap4 n ASP 3 Cb 0.26 -0.06 0.23 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.88 0.18 -0.05 0.53 3.07 -2.01 -3.30 117.51 118.81 1ap4 h ILE 4 Ca 0.00 -1.15 -0.04 0.00 1.55 0.00 0.00 64.86 65.22 1ap4 h ILE 4 Cb 0.96 2.00 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 1ap4 h ILE 4 CO 0.00 0.10 -0.11 1.88 -1.05 0.00 0.00 178.15 178.96 1ap4 h TYR 5 N 0.00 0.22 -0.53 0.16 -1.99 -1.99 -2.78 116.97 110.06 1ap4 h TYR 5 Ca -0.00 -0.08 0.11 0.00 2.00 0.00 0.00 58.73 60.76 1ap4 h TYR 5 Cb 0.99 -0.04 -0.09 0.00 2.00 0.00 0.00 36.73 39.59 1ap4 h TYR 5 CO 0.00 0.71 -0.02 0.87 -0.00 0.00 0.00 178.16 179.72 1ap4 h LYS 6 N -0.33 0.10 0.00 4.88 1.57 -1.92 0.52 116.57 121.38 1ap4 h LYS 6 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ap4 h LYS 6 Cb 0.70 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ap4 h LYS 6 CO 0.02 0.06 -0.01 0.00 -0.57 0.00 0.00 179.45 178.96 1ap4 h ALA 7 N 1.48 1.01 -0.09 3.86 0.00 -1.65 -2.82 119.26 121.05 1ap4 h ALA 7 Ca 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1ap4 h ALA 7 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ap4 h ALA 7 CO -0.46 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 178.61 1ap4 h ALA 8 N 1.99 0.14 -0.21 0.00 0.00 0.32 -2.93 119.26 118.58 1ap4 h ALA 8 Ca -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1ap4 h ALA 8 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ap4 h ALA 8 CO 0.00 0.08 0.39 0.28 0.00 0.00 0.00 179.25 180.00 1ap4 h VAL 9 N -0.18 0.20 0.00 0.00 2.07 -1.16 0.79 116.25 117.97 1ap4 h VAL 9 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ap4 h VAL 9 Cb 0.78 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ap4 h VAL 9 CO 0.04 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 177.55 1ap4 h GLU 10 N 0.00 0.00 0.00 1.57 4.57 -1.58 -3.13 114.58 116.01 1ap4 h GLU 10 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1ap4 h GLU 10 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1ap4 h GLU 10 CO -0.00 0.00 0.00 1.96 -1.18 0.00 0.00 179.01 179.79 1ap4 h GLN 11 N 0.00 0.00 -7.11 1.92 1.08 0.58 -3.44 115.11 108.14 1ap4 h GLN 11 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1ap4 h GLN 11 Cb 0.86 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.37 1ap4 h GLN 11 CO 0.00 0.00 0.43 -0.51 -0.95 0.00 0.00 178.83 177.80 1ap4 s LEU 12 N -5.65 3.68 0.39 1.46 1.43 -1.19 -4.97 118.68 113.83 1ap4 s LEU 12 Ca 0.03 2.18 -0.26 0.00 -1.03 0.00 0.00 54.13 55.05 1ap4 s LEU 12 Cb 0.09 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 1ap4 s LEU 12 CO 0.52 -1.34 1.23 0.42 0.23 0.00 0.00 176.35 177.41 1ap4 s THR 13 N -1.84 2.93 0.31 5.49 -4.23 -1.26 -4.85 115.64 112.19 1ap4 s THR 13 Ca 0.72 0.83 0.06 0.00 -1.18 0.00 0.00 61.69 62.12 1ap4 s THR 13 Cb -0.24 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.44 1ap4 s THR 13 CO 0.30 0.11 1.65 -0.08 -0.54 0.00 0.00 174.62 176.06 1ap4 h GLU 14 N 2.80 0.22 0.00 3.99 4.81 -1.93 2.10 114.58 126.57 1ap4 h GLU 14 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ap4 h GLU 14 Cb 1.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ap4 h GLU 14 CO 0.63 0.15 0.00 -0.85 -0.73 0.00 0.00 179.01 178.21 1ap4 n GLU 15 N -5.19 0.04 -0.00 1.92 -0.00 -1.26 -2.12 120.64 114.03 1ap4 n GLU 15 Ca 0.25 0.44 -0.00 0.00 -0.00 0.00 0.00 57.16 57.85 1ap4 n GLU 15 Cb 0.79 -1.60 -0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1ap4 n GLU 15 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1ap4 h GLN 16 N 0.00 0.00 -0.46 3.44 5.75 0.31 -3.17 115.11 120.97 1ap4 h GLN 16 Ca 0.00 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1ap4 h GLN 16 Cb 0.10 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1ap4 h GLN 16 CO 0.00 0.00 0.36 1.57 -2.65 0.00 0.00 178.83 178.11 1ap4 h LYS 17 N -0.04 0.00 -0.49 1.69 2.10 -1.56 -0.75 116.57 117.52 1ap4 h LYS 17 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ap4 h LYS 17 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1ap4 h LYS 17 CO 0.00 0.00 0.18 -0.91 -2.00 0.00 0.00 179.45 176.72 1ap4 h ASN 18 N 0.00 0.69 -0.72 7.07 2.35 -1.57 -2.45 115.58 120.95 1ap4 h ASN 18 Ca 0.22 -0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1ap4 h ASN 18 Cb 0.94 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 1ap4 h ASN 18 CO -0.00 0.69 0.40 -0.08 -1.65 0.00 0.00 177.43 176.78 1ap4 h GLU 19 N 0.65 0.69 -0.42 0.81 4.81 -1.10 -0.95 114.58 119.07 1ap4 h GLU 19 Ca 0.16 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1ap4 h GLU 19 Cb 0.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1ap4 h GLU 19 CO -0.01 0.46 0.08 0.74 -0.73 0.00 0.00 179.01 179.55 1ap4 h PHE 20 N 0.71 0.64 -0.95 0.92 0.04 -1.46 -2.58 116.94 114.27 1ap4 h PHE 20 Ca 0.33 -0.05 0.28 0.00 2.80 0.00 0.00 57.97 61.33 1ap4 h PHE 20 Cb 0.25 -0.19 -0.14 0.00 2.20 0.00 0.00 35.95 38.06 1ap4 h PHE 20 CO -0.08 0.57 0.45 -0.22 -0.60 0.00 0.00 178.31 178.43 1ap4 h LYS 21 N 0.61 0.31 -0.05 1.51 3.64 -0.70 0.88 116.57 122.78 1ap4 h LYS 21 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1ap4 h LYS 21 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ap4 h LYS 21 CO 0.00 0.21 -0.03 0.00 -2.27 0.00 0.00 179.45 177.36 1ap4 h ALA 22 N 1.80 0.07 -0.43 5.00 0.00 -1.50 -3.14 119.26 121.07 1ap4 h ALA 22 Ca 0.65 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1ap4 h ALA 22 Cb 1.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1ap4 h ALA 22 CO -0.60 -0.19 0.20 0.00 0.00 0.00 0.00 179.25 178.66 1ap4 h ALA 23 N 0.60 0.55 -0.89 0.00 0.00 -0.78 -2.67 119.26 116.07 1ap4 h ALA 23 Ca 0.01 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.04 1ap4 h ALA 23 Cb 0.47 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 17.94 1ap4 h ALA 23 CO 0.01 0.11 0.10 0.35 0.00 0.00 0.00 179.25 179.82 1ap4 h PHE 24 N 0.55 0.09 0.00 0.00 3.04 0.64 2.11 116.94 123.38 1ap4 h PHE 24 Ca 0.15 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1ap4 h PHE 24 Cb 0.12 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1ap4 h PHE 24 CO -0.01 -0.31 -0.03 -0.44 -2.02 0.00 0.00 178.31 175.50 1ap4 h ASP 25 N 0.10 0.00 -0.13 0.41 5.19 -1.43 -2.68 116.42 117.87 1ap4 h ASP 25 Ca 0.54 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.79 1ap4 h ASP 25 Cb 1.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1ap4 h ASP 25 CO -0.77 0.03 -0.48 0.40 -3.12 0.00 0.00 179.24 175.31 1ap4 h ILE 26 N 0.00 1.30 -0.08 0.35 1.08 0.35 -2.48 117.51 118.04 1ap4 h ILE 26 Ca -0.00 -1.68 -0.25 0.00 -0.39 0.00 0.00 64.86 62.55 1ap4 h ILE 26 Cb 0.40 1.61 0.02 0.00 -3.07 0.00 0.00 36.82 35.77 1ap4 h ILE 26 CO 0.00 0.54 -0.91 -0.26 -0.69 0.00 0.00 178.15 176.83 1ap4 h PHE 27 N 0.55 1.07 -0.65 1.37 0.04 -1.15 -3.18 116.94 115.00 1ap4 h PHE 27 Ca 0.03 -0.53 -0.39 0.00 2.80 0.00 0.00 57.97 59.88 1ap4 h PHE 27 Cb 1.03 -0.14 -0.19 0.00 2.20 0.00 0.00 35.95 38.84 1ap4 h PHE 27 CO 0.05 1.36 0.50 1.33 -0.60 0.00 0.00 178.31 180.96 1ap4 n VAL 28 N -3.90 2.76 0.01 -0.55 0.24 -1.10 -4.68 118.33 111.12 1ap4 n VAL 28 Ca -0.09 -1.68 -0.08 0.00 -2.04 0.00 0.00 64.34 60.45 1ap4 n VAL 28 Cb 0.82 -0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.70 -0.89 -3.61 1.34 3.38 -1.42 -2.97 115.31 112.83 1ap4 h LEU 29 Ca 0.40 0.10 -0.40 0.00 0.09 0.00 0.00 57.88 58.08 1ap4 h LEU 29 Cb 1.52 0.34 -0.24 0.00 0.09 0.00 0.00 40.66 42.37 1ap4 h LEU 29 CO 0.88 -0.26 -0.09 0.61 0.09 0.00 0.00 178.44 179.67 1ap4 n GLY 30 N -1.23 5.52 3.45 0.83 0.00 -1.26 -5.04 105.19 107.47 1ap4 n GLY 30 Ca -0.03 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.47 -0.12 -0.43 4.61 0.00 -1.12 -4.97 121.76 116.25 1ap4 s ALA 31 Ca 0.51 -0.79 0.13 0.00 0.00 0.00 0.00 51.96 51.81 1ap4 s ALA 31 Cb 0.43 -2.95 -0.16 0.00 0.00 0.00 0.00 23.12 20.44 1ap4 s ALA 31 CO 0.01 -4.06 0.47 -0.85 0.00 0.00 0.00 175.76 171.33 1ap4 n GLU 32 N -5.17 2.03 -0.99 0.00 -0.00 -1.26 -4.60 120.64 110.65 1ap4 n GLU 32 Ca 0.12 -0.04 0.02 0.00 -0.00 0.00 0.00 57.16 57.26 1ap4 n GLU 32 Cb 0.59 -1.17 0.01 0.00 -0.00 0.00 0.00 31.44 30.87 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1ap4 n ASP 33 N -1.50 0.46 -3.96 -1.84 5.68 -1.26 -5.00 116.55 109.13 1ap4 n ASP 33 Ca 0.01 -1.98 -0.27 0.00 -0.50 0.00 0.00 54.79 52.04 1ap4 n ASP 33 Cb 0.25 -0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.24 -0.30 3.20 6.12 0.00 -1.26 -4.96 105.19 108.23 1ap4 n GLY 34 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.39 4.93 1.35 0.00 1.01 -1.06 -4.60 121.20 121.44 1ap4 s ILE 36 Ca 0.01 -2.83 -0.22 0.00 0.00 0.00 0.00 60.65 57.62 1ap4 s ILE 36 Cb -0.09 -4.08 0.34 0.00 0.01 0.00 0.00 42.46 38.64 1ap4 s ILE 36 CO 0.03 -1.00 1.00 -0.55 0.00 0.00 0.00 174.94 174.42 1ap4 s SER 37 N 1.41 -0.38 0.13 3.58 0.15 -1.26 -1.92 113.70 115.42 1ap4 s SER 37 Ca 0.19 0.77 -0.11 0.00 0.70 0.00 0.00 55.95 57.50 1ap4 s SER 37 Cb -0.13 -1.08 -0.06 0.00 -1.71 0.00 0.00 66.02 63.03 1ap4 s SER 37 CO -0.07 -4.94 1.44 0.71 1.20 0.00 0.00 173.24 171.59 1ap4 h THR 38 N -3.13 1.27 -0.51 6.45 1.35 -1.95 -2.85 112.91 113.54 1ap4 h THR 38 Ca -0.44 -1.63 0.15 0.00 -0.55 0.00 0.00 66.41 63.94 1ap4 h THR 38 Cb 1.32 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1ap4 h THR 38 CO 0.30 0.54 0.47 0.50 -0.25 0.00 0.00 175.52 177.08 1ap4 h LYS 39 N 0.73 0.00 -0.79 4.72 1.63 -1.97 0.17 116.57 121.05 1ap4 h LYS 39 Ca 0.04 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.34 1ap4 h LYS 39 Cb 1.05 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.41 1ap4 h LYS 39 CO 0.11 0.00 0.25 0.39 -3.45 0.00 0.00 179.45 176.75 1ap4 n GLU 40 N -3.91 2.58 0.00 1.90 1.02 -1.08 -4.55 120.64 116.60 1ap4 n GLU 40 Ca 0.10 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.84 1ap4 n GLU 40 Cb 0.68 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ap4 n LEU 41 N -0.98 0.67 -0.19 -4.62 4.77 0.59 -4.48 117.00 112.77 1ap4 n LEU 41 Ca 0.51 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1ap4 n LEU 41 Cb 1.02 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.02 1ap4 n LEU 41 CO 0.53 0.01 0.49 1.23 -1.33 0.00 0.00 177.39 178.32 1ap4 h GLY 42 N 0.00 -1.09 2.00 -0.72 0.00 -1.79 0.99 103.07 102.46 1ap4 h GLY 42 Ca 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 1ap4 h GLY 42 CO 0.00 -0.15 -0.08 0.50 0.00 0.00 0.00 176.54 176.81 1ap4 h LYS 43 N -0.27 0.00 -0.05 4.80 1.57 -1.88 -2.66 116.57 118.09 1ap4 h LYS 43 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ap4 h LYS 43 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ap4 h LYS 43 CO -0.62 0.08 -0.08 0.28 -0.57 0.00 0.00 179.45 178.55 1ap4 h VAL 44 N 0.00 1.42 -1.19 0.50 2.07 0.23 -3.05 116.25 116.22 1ap4 h VAL 44 Ca -0.00 -1.36 0.34 0.00 0.82 0.00 0.00 66.70 66.50 1ap4 h VAL 44 Cb 0.18 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 1ap4 h VAL 44 CO 0.01 0.37 0.81 0.24 0.02 0.00 0.00 177.57 179.02 1ap4 h MET 45 N -0.36 0.18 0.00 1.57 2.86 0.99 1.25 114.93 121.41 1ap4 h MET 45 Ca 0.00 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1ap4 h MET 45 Cb 0.64 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1ap4 h MET 45 CO 0.02 0.12 -0.30 0.00 1.06 0.00 0.00 176.91 177.80 1ap4 h ARG 46 N 0.18 0.00 0.03 1.72 3.08 -1.41 1.83 114.38 119.80 1ap4 h ARG 46 Ca 0.65 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.70 1ap4 h ARG 46 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.14 1ap4 h ARG 46 CO -0.21 0.30 -0.01 0.52 -1.07 0.00 0.00 179.97 179.50 1ap4 h MET 47 N 0.00 -0.03 0.00 0.04 2.86 0.15 -3.26 114.93 114.69 1ap4 h MET 47 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ap4 h MET 47 Cb 0.65 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ap4 h MET 47 CO 0.04 0.67 -0.04 -0.07 1.06 0.00 0.00 176.91 178.57 1ap4 h LEU 48 N -0.90 0.00 0.00 1.22 3.38 -1.44 -3.45 115.31 114.12 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 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ap4 h LEU 48 CO 0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1ap4 n GLY 49 N -1.07 0.68 3.95 0.83 0.00 -0.83 -5.12 105.19 103.62 1ap4 n GLY 49 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 2.57 -0.41 1.61 -1.52 0.62 -4.93 119.66 117.59 1ap4 s GLN 50 Ca 0.00 -0.44 0.09 0.00 -1.95 0.00 0.00 55.36 53.07 1ap4 s GLN 50 Cb 0.00 -2.36 0.35 0.00 -0.22 0.00 0.00 33.01 30.78 1ap4 s GLN 50 CO 0.00 -0.82 1.00 0.09 -0.25 0.00 0.00 175.29 175.31 1ap4 n ASN 51 N -2.54 -0.91 -4.01 5.90 3.02 -1.26 -2.86 115.26 112.60 1ap4 n ASN 51 Ca 0.06 -3.25 -0.30 0.00 -0.03 0.00 0.00 54.58 51.07 1ap4 n ASN 51 Cb 0.59 0.77 0.21 0.00 -0.61 0.00 0.00 39.78 40.74 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 -0.93 -0.39 0.40 3.52 0.04 -1.26 -5.08 135.00 131.29 1ap4 s PRO 52 Ca 0.28 -0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.25 1ap4 s PRO 52 Cb 0.34 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 33.14 1ap4 s PRO 52 CO -0.06 -3.14 0.24 0.95 0.04 0.00 0.00 177.00 175.03 1ap4 s THR 53 N -3.33 2.61 0.26 1.26 -4.23 -1.26 -4.90 115.64 106.04 1ap4 s THR 53 Ca 0.71 -1.57 0.24 0.00 -1.18 0.00 0.00 61.69 59.89 1ap4 s THR 53 Cb -0.08 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1ap4 s THR 53 CO 0.55 -0.04 1.90 1.55 -0.54 0.00 0.00 174.62 178.03 1ap4 h PRO 54 N 1.31 0.00 0.05 3.99 0.13 -1.98 0.58 132.00 136.08 1ap4 h PRO 54 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 1ap4 h PRO 54 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ap4 h PRO 54 CO 0.64 0.22 -1.36 0.93 -0.23 0.00 0.00 178.00 178.20 1ap4 h GLU 55 N 0.00 0.11 0.10 0.86 4.39 -2.02 -3.36 114.58 114.67 1ap4 h GLU 55 Ca -0.00 -0.19 -0.32 0.00 0.34 0.00 0.00 59.36 59.19 1ap4 h GLU 55 Cb 0.62 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1ap4 h GLU 55 CO 0.03 0.95 -1.73 0.93 -1.16 0.00 0.00 179.01 178.03 1ap4 h GLU 56 N 0.03 0.21 0.00 2.33 3.07 -1.90 -3.32 114.58 115.00 1ap4 h GLU 56 Ca -0.16 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1ap4 h GLU 56 Cb 1.93 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1ap4 h GLU 56 CO 0.14 1.17 0.00 -0.11 -1.40 0.00 0.00 179.01 178.81 1ap4 n LEU 57 N -3.78 0.00 -0.07 1.33 7.94 0.20 0.15 117.00 122.78 1ap4 n LEU 57 Ca -0.31 0.86 -0.09 0.00 -1.11 0.00 0.00 56.01 55.36 1ap4 n LEU 57 Cb 0.94 -0.36 -0.06 0.00 0.53 0.00 0.00 43.42 44.47 1ap4 n LEU 57 CO 0.38 -0.36 0.50 -0.61 -1.11 0.00 0.00 177.39 176.19 1ap4 h GLN 58 N 0.00 -0.27 -0.89 1.96 -0.00 -1.79 0.12 115.11 114.24 1ap4 h GLN 58 Ca 0.00 0.02 0.24 0.00 -0.00 0.00 0.00 58.65 58.91 1ap4 h GLN 58 Cb 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 27.48 27.39 1ap4 h GLN 58 CO 0.00 -0.18 0.11 1.49 0.00 0.00 0.00 178.83 180.25 1ap4 h GLU 59 N -0.28 0.10 -0.25 1.69 4.57 -1.55 1.65 114.58 120.51 1ap4 h GLU 59 Ca 0.04 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1ap4 h GLU 59 Cb 0.39 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1ap4 h GLU 59 CO -0.35 0.07 0.14 0.52 -1.18 0.00 0.00 179.01 178.20 1ap4 h MET 60 N 0.11 0.34 0.00 1.92 2.86 0.39 -1.07 114.93 119.48 1ap4 h MET 60 Ca 0.54 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1ap4 h MET 60 Cb 1.09 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1ap4 h MET 60 CO -0.76 0.26 -0.61 0.82 1.06 0.00 0.00 176.91 177.68 1ap4 h ILE 61 N 0.35 0.00 -0.12 -1.22 2.04 0.42 -3.27 117.51 115.71 1ap4 h ILE 61 Ca 0.09 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1ap4 h ILE 61 Cb 0.01 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ap4 h ILE 61 CO -0.02 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.46 1ap4 n ASP 62 N -2.51 1.26 -0.07 1.72 2.03 0.19 -3.42 116.55 115.76 1ap4 n ASP 62 Ca 0.02 -1.62 -0.12 0.00 0.52 0.00 0.00 54.79 53.59 1ap4 n ASP 62 Cb 0.50 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.05 0.31 -0.06 -0.67 1.02 -1.04 -4.66 120.64 115.59 1ap4 n GLU 63 Ca 0.16 0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1ap4 n GLU 63 Cb 0.27 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1ap4 n GLU 63 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1ap4 h VAL 64 N -0.24 1.29 -0.69 2.62 3.04 -1.71 -3.42 116.25 117.14 1ap4 h VAL 64 Ca -0.32 -1.68 -0.54 0.00 -1.01 0.00 0.00 66.70 63.15 1ap4 h VAL 64 Cb 1.39 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 32.20 1ap4 h VAL 64 CO -0.13 0.54 1.63 -0.67 -1.01 0.00 0.00 177.57 177.94 1ap4 n ASP 65 N -4.01 1.27 -0.01 3.17 2.03 -1.22 -4.70 116.55 113.08 1ap4 n ASP 65 Ca -0.03 0.05 0.08 0.00 0.52 0.00 0.00 54.79 55.41 1ap4 n ASP 65 Cb 0.59 -1.18 -0.13 0.00 -0.72 0.00 0.00 41.12 39.68 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 8.53 0.57 -0.12 -0.67 2.13 -1.26 -4.46 120.64 125.36 1ap4 n GLU 66 Ca 0.52 -0.14 -0.11 0.00 0.66 0.00 0.00 57.16 58.09 1ap4 n GLU 66 Cb 0.22 -1.38 0.02 0.00 0.27 0.00 0.00 31.44 30.57 1ap4 n GLU 66 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1ap4 h ASP 67 N 0.00 0.93 -0.01 4.31 2.03 -1.98 -3.47 116.42 118.23 1ap4 h ASP 67 Ca 0.00 -0.38 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1ap4 h ASP 67 Cb 0.73 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1ap4 h ASP 67 CO 0.00 1.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.97 1ap4 n GLY 68 N -0.05 1.76 0.13 7.15 0.00 -1.26 -5.02 105.19 107.90 1ap4 n GLY 68 Ca -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 0.09 1.98 0.00 1.61 3.41 -1.26 -5.01 113.62 114.44 1ap4 n SER 69 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1ap4 n SER 69 Cb 0.02 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 1.79 1.17 3.50 5.00 0.00 -1.26 -5.10 105.19 110.29 1ap4 n GLY 70 Ca -0.46 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 0.81 -0.37 2.61 -4.23 -1.26 -4.66 115.64 106.53 1ap4 s THR 71 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1ap4 s THR 71 Cb 0.00 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.45 1ap4 s THR 71 CO 0.00 0.00 0.13 -0.69 -0.54 0.00 0.00 174.62 173.52 1ap4 s VAL 72 N -3.24 3.17 0.71 2.29 1.01 -0.81 -4.88 120.40 118.65 1ap4 s VAL 72 Ca 0.27 -1.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 1ap4 s VAL 72 Cb 0.05 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.46 1ap4 s VAL 72 CO 0.14 -0.50 0.99 1.51 0.00 0.00 0.00 175.10 177.24 1ap4 s ASP 73 N 1.59 4.52 0.18 3.32 -4.77 -1.26 -2.55 116.67 117.70 1ap4 s ASP 73 Ca 0.04 -0.01 -0.16 0.00 -3.30 0.00 0.00 52.55 49.12 1ap4 s ASP 73 Cb -0.22 -0.51 0.15 0.00 -1.09 0.00 0.00 42.92 41.26 1ap4 s ASP 73 CO -0.03 -1.74 1.65 0.15 0.70 0.00 0.00 175.17 175.90 1ap4 h PHE 74 N -0.54 -0.29 0.31 2.11 3.57 -1.97 2.20 116.94 122.33 1ap4 h PHE 74 Ca -0.40 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 1ap4 h PHE 74 Cb 1.28 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 1ap4 h PHE 74 CO -0.05 -0.22 -0.51 0.22 -2.23 0.00 0.00 178.31 175.51 1ap4 h ASP 75 N -0.01 -1.48 -0.19 0.41 3.58 -2.01 -2.40 116.42 114.31 1ap4 h ASP 75 Ca 0.24 0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.72 1ap4 h ASP 75 Cb 0.37 0.52 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 1ap4 h ASP 75 CO -0.51 -0.61 -0.29 -0.33 -2.88 0.00 0.00 179.24 174.62 1ap4 h GLU 76 N -0.88 0.54 -0.99 0.28 5.08 -1.81 -3.11 114.58 113.70 1ap4 h GLU 76 Ca -0.04 -0.32 0.35 0.00 -1.00 0.00 0.00 59.36 58.36 1ap4 h GLU 76 Cb 0.81 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.92 1ap4 h GLU 76 CO -0.17 0.92 0.43 0.35 -1.00 0.00 0.00 179.01 179.54 1ap4 h PHE 77 N 0.20 0.67 -0.08 4.33 3.57 0.38 0.38 116.94 126.38 1ap4 h PHE 77 Ca 0.02 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1ap4 h PHE 77 Cb 0.87 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.49 1ap4 h PHE 77 CO 0.09 -0.36 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.26 1ap4 h LEU 78 N 0.11 0.56 -0.67 0.59 3.38 -1.40 -3.21 115.31 114.67 1ap4 h LEU 78 Ca 0.75 -0.66 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1ap4 h LEU 78 Cb 1.81 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 1ap4 h LEU 78 CO -0.74 1.13 0.28 0.58 0.09 0.00 0.00 178.44 179.78 1ap4 h VAL 79 N 0.03 0.76 -0.54 1.22 2.07 -0.23 -0.83 116.25 118.72 1ap4 h VAL 79 Ca -0.04 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1ap4 h VAL 79 Cb 1.13 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1ap4 h VAL 79 CO 0.10 0.09 0.12 -0.03 0.02 0.00 0.00 177.57 177.86 1ap4 h MET 80 N 0.47 0.25 0.42 1.57 4.05 -1.21 0.47 114.93 120.95 1ap4 h MET 80 Ca 0.34 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.73 1ap4 h MET 80 Cb 0.43 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1ap4 h MET 80 CO -0.32 0.16 -0.24 0.52 0.23 0.00 0.00 176.91 177.27 1ap4 h MET 81 N 0.26 -0.59 -1.01 0.39 2.07 -1.18 -1.53 114.93 113.33 1ap4 h MET 81 Ca 0.28 0.04 0.26 0.00 -2.07 0.00 0.00 59.70 58.21 1ap4 h MET 81 Cb 0.39 0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 30.18 1ap4 h MET 81 CO -0.35 -0.39 0.68 -0.24 1.07 0.00 0.00 176.91 177.67 1ap4 h VAL 82 N -0.61 0.55 -0.47 -2.22 3.04 -1.13 0.72 116.25 116.13 1ap4 h VAL 82 Ca -0.06 -0.10 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1ap4 h VAL 82 Cb 0.48 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1ap4 h VAL 82 CO 0.07 0.05 0.21 0.03 -1.01 0.00 0.00 177.57 176.92 1ap4 h ARG 83 N 0.30 0.65 0.10 4.17 3.08 0.55 0.43 114.38 123.66 1ap4 h ARG 83 Ca 0.54 -0.08 -0.34 0.00 0.07 0.00 0.00 59.98 60.17 1ap4 h ARG 83 Cb 1.56 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 1ap4 h ARG 83 CO -0.19 0.52 -1.88 0.00 -1.07 0.00 0.00 179.97 177.35 1ap4 n MET 85 N -3.39 2.17 -2.08 0.00 0.00 0.13 -5.04 117.12 108.91 1ap4 n MET 85 Ca -0.27 -4.25 -0.36 0.00 0.00 0.00 0.00 57.70 52.82 1ap4 n MET 85 Cb 1.05 -1.97 -0.03 0.00 0.00 0.00 0.00 33.22 32.27 1ap4 n MET 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1ap4 s LYS 86 N -2.61 2.66 1.36 3.17 2.20 0.15 -4.55 119.74 122.12 1ap4 s LYS 86 Ca 0.42 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1ap4 s LYS 86 Cb 0.24 -4.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 1ap4 s LYS 86 CO -0.09 -2.83 0.00 -3.47 -0.36 0.00 0.00 175.35 168.61 1ap4 n ASP 87 N 12.75 -4.45 0.00 1.43 2.03 -1.26 -4.85 116.55 122.20 1ap4 n ASP 87 Ca 0.24 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1ap4 n ASP 87 Cb 0.51 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 -3.35 0.87 0.00 1.67 2.03 -1.26 -5.17 116.55 111.33 1ap4 n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ap4 n ASP 88 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08