#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 6.78 -1.20 7.83 -0.08 -1.26 -4.78 116.55 123.84 1ap4 n ASP 2 Ca 0.00 -3.26 -0.12 0.00 -1.51 0.00 0.00 54.79 49.90 1ap4 n ASP 2 Cb 0.00 -1.05 -0.05 0.00 2.34 0.00 0.00 41.12 42.35 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ap4 n ASP 3 N 0.08 -3.97 0.22 1.67 9.92 -1.26 -4.76 116.55 118.44 1ap4 n ASP 3 Ca 0.39 0.31 0.12 0.00 -0.53 0.00 0.00 54.79 55.08 1ap4 n ASP 3 Cb 0.59 -3.45 0.24 0.00 -0.64 0.00 0.00 41.12 37.86 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1ap4 h ILE 4 N 0.00 0.09 0.00 0.53 3.07 -2.02 -3.33 117.51 115.85 1ap4 h ILE 4 Ca -0.26 -1.04 -0.02 0.00 1.55 0.00 0.00 64.86 65.10 1ap4 h ILE 4 Cb 0.93 1.96 -0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1ap4 h ILE 4 CO 0.37 0.05 -0.10 1.88 -1.05 0.00 0.00 178.15 179.30 1ap4 h TYR 5 N 0.00 0.00 -0.60 0.16 -1.99 -1.97 -3.10 116.97 109.47 1ap4 h TYR 5 Ca -0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1ap4 h TYR 5 Cb 0.96 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1ap4 h TYR 5 CO 0.00 0.99 0.80 1.57 -0.00 0.00 0.00 178.16 181.52 1ap4 h LYS 6 N -1.00 0.00 0.13 4.88 2.10 -1.97 0.31 116.57 121.03 1ap4 h LYS 6 Ca -0.03 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.35 1ap4 h LYS 6 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1ap4 h LYS 6 CO -0.02 0.00 -1.35 0.00 -2.00 0.00 0.00 179.45 176.08 1ap4 h ALA 7 N 0.97 0.11 -0.99 0.07 0.00 -1.68 -3.19 119.26 114.56 1ap4 h ALA 7 Ca 0.29 -1.02 0.17 0.00 0.00 0.00 0.00 54.91 54.34 1ap4 h ALA 7 Cb 1.88 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.97 1ap4 h ALA 7 CO -0.00 0.77 0.60 0.00 0.00 0.00 0.00 179.25 180.61 1ap4 h ALA 8 N -0.00 1.59 0.00 0.00 0.00 -0.30 0.42 119.26 120.96 1ap4 h ALA 8 Ca -0.28 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1ap4 h ALA 8 Cb 1.79 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1ap4 h ALA 8 CO 0.10 0.03 -0.32 0.28 0.00 0.00 0.00 179.25 179.33 1ap4 h VAL 9 N 0.82 0.74 0.00 0.00 2.07 -1.58 -3.04 116.25 115.27 1ap4 h VAL 9 Ca 0.55 -1.43 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 1ap4 h VAL 9 Cb 0.76 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1ap4 h VAL 9 CO -0.35 0.32 -0.99 -0.08 0.02 0.00 0.00 177.57 176.49 1ap4 h GLU 10 N 0.00 0.00 -0.10 1.57 4.22 -0.32 -3.25 114.58 116.70 1ap4 h GLU 10 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ap4 h GLU 10 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1ap4 h GLU 10 CO 0.04 0.55 0.00 1.04 -2.18 0.00 0.00 179.01 178.46 1ap4 n GLN 11 N -3.14 1.45 0.00 1.92 6.02 0.60 -4.89 117.38 119.34 1ap4 n GLN 11 Ca -0.04 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 1ap4 n GLN 11 Cb 0.84 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.74 1ap4 n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ap4 n LEU 12 N -0.10 0.00 -4.59 1.08 4.77 -1.19 -5.03 117.00 111.94 1ap4 n LEU 12 Ca 0.15 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1ap4 n LEU 12 Cb 0.23 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1ap4 n LEU 12 CO 0.12 -1.20 -0.36 0.42 -1.33 0.00 0.00 177.39 175.04 1ap4 s THR 13 N -0.67 2.97 0.01 -5.08 -4.23 -1.26 -5.05 115.64 102.33 1ap4 s THR 13 Ca 0.00 -2.06 -0.25 0.00 -1.18 0.00 0.00 61.69 58.20 1ap4 s THR 13 Cb 0.00 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 71.00 1ap4 s THR 13 CO 0.00 -0.33 1.17 -0.08 -0.54 0.00 0.00 174.62 174.83 1ap4 h GLU 14 N 1.97 -0.61 -1.37 3.99 4.57 -1.98 -1.84 114.58 119.30 1ap4 h GLU 14 Ca -0.43 0.04 0.40 0.00 -1.18 0.00 0.00 59.36 58.19 1ap4 h GLU 14 Cb 1.25 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.92 1ap4 h GLU 14 CO 0.62 -0.31 0.99 1.05 -1.18 0.00 0.00 179.01 180.18 1ap4 h GLU 15 N -0.96 0.01 0.02 1.92 4.11 -1.98 0.97 114.58 118.67 1ap4 h GLU 15 Ca -0.06 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1ap4 h GLU 15 Cb 0.59 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ap4 h GLU 15 CO 0.11 0.01 -0.25 0.37 0.07 0.00 0.00 179.01 179.31 1ap4 h GLN 16 N 0.01 0.14 -0.03 1.06 4.15 -1.91 -3.07 115.11 115.47 1ap4 h GLN 16 Ca 0.66 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.77 1ap4 h GLN 16 Cb 2.62 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 30.35 1ap4 h GLN 16 CO -0.02 0.96 -0.61 0.87 -1.93 0.00 0.00 178.83 178.10 1ap4 h LYS 17 N -0.60 0.11 -0.52 1.69 1.57 0.23 -0.96 116.57 118.09 1ap4 h LYS 17 Ca -0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ap4 h LYS 17 Cb 1.06 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1ap4 h LYS 17 CO 0.05 0.69 0.29 -0.91 -0.57 0.00 0.00 179.45 179.00 1ap4 h ASN 18 N 0.08 0.65 0.57 0.86 2.35 0.72 -2.38 115.58 118.43 1ap4 h ASN 18 Ca -0.01 -0.08 -0.28 0.00 -0.55 0.00 0.00 56.30 55.37 1ap4 h ASN 18 Cb 1.10 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 1ap4 h ASN 18 CO 0.09 0.54 -1.37 -0.08 -1.65 0.00 0.00 177.43 174.96 1ap4 h GLU 19 N 0.70 0.24 -1.01 0.81 4.57 -1.50 -3.32 114.58 115.08 1ap4 h GLU 19 Ca 0.18 -0.41 0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1ap4 h GLU 19 Cb 0.03 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 1ap4 h GLU 19 CO -0.03 1.14 0.65 0.74 -1.18 0.00 0.00 179.01 180.33 1ap4 h PHE 20 N 0.07 1.19 0.63 0.92 -1.00 -1.05 -2.50 116.94 115.19 1ap4 h PHE 20 Ca -0.18 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.60 1ap4 h PHE 20 Cb 1.98 -0.39 0.01 0.00 3.61 0.00 0.00 35.95 41.16 1ap4 h PHE 20 CO 0.06 0.58 -0.30 -0.22 -1.61 0.00 0.00 178.31 176.82 1ap4 h LYS 21 N 1.13 -0.81 -0.63 1.51 3.64 -1.52 0.30 116.57 120.19 1ap4 h LYS 21 Ca 0.45 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 60.01 1ap4 h LYS 21 Cb 0.26 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.14 1ap4 h LYS 21 CO -0.20 -0.52 -0.27 0.00 -2.27 0.00 0.00 179.45 176.20 1ap4 h ALA 22 N -0.57 0.16 -0.39 5.00 0.00 -1.58 0.29 119.26 122.17 1ap4 h ALA 22 Ca -0.09 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ap4 h ALA 22 Cb 0.67 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ap4 h ALA 22 CO 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 179.25 178.73 1ap4 h ALA 23 N 1.28 1.11 -0.83 0.00 0.00 -1.33 -2.77 119.26 116.73 1ap4 h ALA 23 Ca 0.27 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1ap4 h ALA 23 Cb 0.53 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1ap4 h ALA 23 CO -0.69 0.56 0.40 0.35 0.00 0.00 0.00 179.25 179.86 1ap4 h PHE 24 N 0.62 0.69 0.00 0.00 3.04 0.34 0.77 116.94 122.40 1ap4 h PHE 24 Ca 0.11 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1ap4 h PHE 24 Cb 0.52 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1ap4 h PHE 24 CO 0.02 0.12 0.00 -0.25 -2.02 0.00 0.00 178.31 176.18 1ap4 n ASP 25 N -4.93 0.00 0.05 0.41 9.92 -0.78 -2.89 116.55 118.33 1ap4 n ASP 25 Ca 0.17 0.43 -0.14 0.00 -0.53 0.00 0.00 54.79 54.73 1ap4 n ASP 25 Cb 0.46 -0.47 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 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 1.18 0.05 0.53 2.04 0.57 -3.29 117.51 118.59 1ap4 h ILE 26 Ca 0.00 -2.88 -0.24 0.00 1.00 0.00 0.00 64.86 62.74 1ap4 h ILE 26 Cb 0.27 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1ap4 h ILE 26 CO 0.00 0.79 -1.16 -0.26 0.00 0.00 0.00 178.15 177.52 1ap4 h PHE 27 N 0.04 0.19 0.00 1.37 0.04 -1.37 -3.20 116.94 114.02 1ap4 h PHE 27 Ca -0.21 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ap4 h PHE 27 Cb 1.97 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1ap4 h PHE 27 CO 0.04 1.12 0.00 1.33 -0.60 0.00 0.00 178.31 180.20 1ap4 n VAL 28 N -3.40 0.00 -1.52 -0.55 0.24 -1.17 -4.80 118.33 107.12 1ap4 n VAL 28 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.93 1ap4 n VAL 28 Cb 0.98 -0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.84 0.67 0.00 1.34 7.94 -1.21 0.24 117.00 125.13 1ap4 n LEU 29 Ca 0.16 -0.38 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1ap4 n LEU 29 Cb 0.07 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1ap4 n LEU 29 CO 0.12 -1.36 0.00 0.61 -1.11 0.00 0.00 177.39 175.65 1ap4 n GLY 30 N 6.21 1.22 3.02 -3.96 0.00 -1.26 -5.09 105.19 105.33 1ap4 n GLY 30 Ca 0.56 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.00 -0.76 -0.01 4.61 0.00 0.67 -4.94 120.51 119.08 1ap4 n ALA 31 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 53.44 52.47 1ap4 n ALA 31 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1ap4 n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ap4 n GLU 32 N -1.60 0.64 -0.07 0.00 0.28 -1.26 -4.65 120.64 113.98 1ap4 n GLU 32 Ca 0.05 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1ap4 n GLU 32 Cb 0.36 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ap4 n ASP 33 N -2.02 0.42 -1.63 -1.84 5.68 -1.26 -5.02 116.55 110.87 1ap4 n ASP 33 Ca -0.05 -1.38 -0.01 0.00 -0.50 0.00 0.00 54.79 52.85 1ap4 n ASP 33 Cb 0.42 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.13 0.66 3.05 6.12 0.00 -1.26 -5.09 105.19 108.54 1ap4 n GLY 34 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.51 5.39 1.29 0.00 1.01 0.13 -4.24 121.20 122.28 1ap4 s ILE 36 Ca -0.05 -2.47 -0.19 0.00 0.00 0.00 0.00 60.65 57.95 1ap4 s ILE 36 Cb -0.02 -4.35 0.32 0.00 0.01 0.00 0.00 42.46 38.42 1ap4 s ILE 36 CO -0.04 -1.00 1.00 -0.94 0.00 0.00 0.00 174.94 173.95 1ap4 s SER 37 N 2.09 0.02 0.32 3.58 1.04 -1.26 -1.63 113.70 117.85 1ap4 s SER 37 Ca 0.17 0.99 0.12 0.00 0.48 0.00 0.00 55.95 57.71 1ap4 s SER 37 Cb -0.12 -1.46 0.52 0.00 0.10 0.00 0.00 66.02 65.06 1ap4 s SER 37 CO -0.08 -4.72 1.69 0.00 0.98 0.00 0.00 173.24 171.12 1ap4 h THR 38 N -2.98 1.31 -0.63 2.02 1.03 -1.89 -1.84 112.91 109.93 1ap4 h THR 38 Ca -0.49 -1.78 0.03 0.00 -0.01 0.00 0.00 66.41 64.15 1ap4 h THR 38 Cb 1.33 1.98 -0.03 0.00 -1.07 0.00 0.00 68.15 70.35 1ap4 h THR 38 CO 0.37 0.50 0.41 0.50 -0.01 0.00 0.00 175.52 177.30 1ap4 h LYS 39 N 0.00 0.73 -0.44 0.00 3.64 -1.93 -1.46 116.57 117.10 1ap4 h LYS 39 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ap4 h LYS 39 Cb 0.94 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1ap4 h LYS 39 CO 0.07 0.48 0.00 0.39 -2.27 0.00 0.00 179.45 178.12 1ap4 n GLU 40 N -4.46 3.10 0.00 1.90 1.02 -1.12 -4.51 120.64 116.57 1ap4 n GLU 40 Ca 0.07 -2.50 -0.21 0.00 -0.02 0.00 0.00 57.16 54.51 1ap4 n GLU 40 Cb 0.12 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 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 2.71 0.35 -0.19 -4.62 7.12 -0.39 -3.33 115.31 116.94 1ap4 h LEU 41 Ca 0.00 -0.86 0.06 0.00 0.13 0.00 0.00 57.88 57.21 1ap4 h LEU 41 Cb 1.10 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.05 1ap4 h LEU 41 CO 0.11 1.52 -0.27 1.23 -0.13 0.00 0.00 178.44 180.90 1ap4 h GLY 42 N -0.18 -0.26 -0.34 3.75 0.00 -1.79 0.19 103.07 104.45 1ap4 h GLY 42 Ca -0.25 0.33 0.32 0.00 0.00 0.00 0.00 47.33 47.73 1ap4 h GLY 42 CO 0.05 -0.21 0.77 0.50 0.00 0.00 0.00 176.54 177.66 1ap4 h LYS 43 N -0.30 0.19 0.27 4.80 1.79 -1.85 0.26 116.57 121.73 1ap4 h LYS 43 Ca 0.12 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1ap4 h LYS 43 Cb 0.49 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ap4 h LYS 43 CO -0.37 0.12 -0.13 0.28 -1.08 0.00 0.00 179.45 178.28 1ap4 h VAL 44 N 0.19 0.00 -0.06 0.50 2.07 -0.74 -0.19 116.25 118.03 1ap4 h VAL 44 Ca 0.60 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.95 1ap4 h VAL 44 Cb 1.94 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ap4 h VAL 44 CO -0.18 0.00 0.28 0.24 0.02 0.00 0.00 177.57 177.93 1ap4 h MET 45 N -0.56 0.00 0.02 1.57 2.86 -0.88 0.71 114.93 118.64 1ap4 h MET 45 Ca -0.04 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1ap4 h MET 45 Cb 0.28 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.95 1ap4 h MET 45 CO 0.06 0.00 -0.26 0.00 1.06 0.00 0.00 176.91 177.77 1ap4 h ARG 46 N 0.00 0.13 0.03 1.72 3.08 -0.35 1.52 114.38 120.52 1ap4 h ARG 46 Ca 0.03 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 1ap4 h ARG 46 Cb 0.58 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1ap4 h ARG 46 CO -0.00 0.99 -0.46 0.00 -1.07 0.00 0.00 179.97 179.43 1ap4 h MET 47 N -0.64 0.06 -0.69 0.04 -0.00 0.40 -3.37 114.93 110.73 1ap4 h MET 47 Ca -0.04 -0.11 0.07 0.00 -0.00 0.00 0.00 59.70 59.62 1ap4 h MET 47 Cb 1.10 0.04 -0.09 0.00 -0.00 0.00 0.00 31.60 32.65 1ap4 h MET 47 CO 0.05 1.05 -0.51 -0.07 -0.00 0.00 0.00 176.91 177.43 1ap4 h LEU 48 N -0.85 -1.82 0.00 -0.10 -0.00 0.18 -3.44 115.31 109.28 1ap4 h LEU 48 Ca -0.11 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1ap4 h LEU 48 Cb 1.21 0.79 0.00 0.00 -0.00 0.00 0.00 40.66 42.66 1ap4 h LEU 48 CO -0.01 -0.26 0.00 0.61 -0.00 0.00 0.00 178.44 178.78 1ap4 n GLY 49 N -1.26 0.00 3.46 0.83 0.00 -1.21 -5.07 105.19 101.93 1ap4 n GLY 49 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.68 -0.37 1.61 -1.52 0.52 -5.02 119.66 116.56 1ap4 s GLN 50 Ca 0.00 -1.94 0.11 0.00 -1.95 0.00 0.00 55.36 51.58 1ap4 s GLN 50 Cb 0.00 -0.85 0.34 0.00 -0.22 0.00 0.00 33.01 32.28 1ap4 s GLN 50 CO 0.00 -0.22 0.72 0.09 -0.25 0.00 0.00 175.29 175.63 1ap4 n ASN 51 N -0.75 0.67 -4.81 5.90 4.13 -1.25 -3.82 115.26 115.34 1ap4 n ASN 51 Ca -0.03 -2.99 -0.31 0.00 1.68 0.00 0.00 54.58 52.93 1ap4 n ASN 51 Cb 0.66 -0.55 0.06 0.00 -1.54 0.00 0.00 39.78 38.41 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ap4 s PRO 52 N -2.22 2.78 0.69 3.52 0.04 -1.26 -5.05 135.00 133.50 1ap4 s PRO 52 Ca 0.39 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1ap4 s PRO 52 Cb 0.33 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.95 1ap4 s PRO 52 CO -0.08 -1.22 1.01 0.95 0.04 0.00 0.00 177.00 177.70 1ap4 s THR 53 N -2.98 2.63 0.10 1.26 -4.23 -1.26 -4.97 115.64 106.18 1ap4 s THR 53 Ca 0.59 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 1ap4 s THR 53 Cb -0.15 -3.13 -0.13 0.00 1.34 0.00 0.00 72.50 70.43 1ap4 s THR 53 CO 0.55 -0.15 1.33 1.55 -0.54 0.00 0.00 174.62 177.36 1ap4 h PRO 54 N -0.56 0.79 0.00 3.99 0.13 -2.01 -2.75 132.00 131.59 1ap4 h PRO 54 Ca -0.45 -0.58 -0.10 0.00 -0.87 0.00 0.00 66.00 64.01 1ap4 h PRO 54 Cb 1.30 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1ap4 h PRO 54 CO 0.61 1.20 -0.46 1.49 -0.23 0.00 0.00 178.00 180.61 1ap4 h GLU 55 N 0.53 0.00 0.00 0.86 4.81 -2.03 -2.93 114.58 115.82 1ap4 h GLU 55 Ca -0.02 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1ap4 h GLU 55 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1ap4 h GLU 55 CO 0.14 0.46 -0.63 0.93 -0.73 0.00 0.00 179.01 179.18 1ap4 h GLU 56 N 0.00 0.00 -0.83 1.92 4.39 -1.93 -3.14 114.58 114.99 1ap4 h GLU 56 Ca -0.00 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1ap4 h GLU 56 Cb 0.93 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.42 1ap4 h GLU 56 CO 0.06 0.63 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.23 1ap4 h LEU 57 N 0.00 -0.87 0.00 1.33 3.38 -1.29 2.12 115.31 119.99 1ap4 h LEU 57 Ca -0.01 0.25 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1ap4 h LEU 57 Cb 1.18 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 42.45 1ap4 h LEU 57 CO 0.08 -0.28 -0.93 -0.61 0.09 0.00 0.00 178.44 176.79 1ap4 h GLN 58 N -0.01 0.00 0.02 1.13 5.75 -1.74 -3.29 115.11 116.97 1ap4 h GLN 58 Ca 0.39 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.68 1ap4 h GLN 58 Cb 0.61 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1ap4 h GLN 58 CO -0.86 0.80 -0.95 1.49 -2.65 0.00 0.00 178.83 176.65 1ap4 h GLU 59 N 0.00 0.15 -0.06 1.69 4.81 -0.48 -2.28 114.58 118.41 1ap4 h GLU 59 Ca -0.03 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1ap4 h GLU 59 Cb 1.67 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1ap4 h GLU 59 CO 0.11 0.99 0.00 -0.12 -0.73 0.00 0.00 179.01 179.26 1ap4 n MET 60 N -3.57 1.15 0.00 1.92 1.56 0.68 -3.75 117.12 115.11 1ap4 n MET 60 Ca -0.03 -0.23 0.00 0.00 -0.27 0.00 0.00 57.70 57.17 1ap4 n MET 60 Cb 0.86 -1.12 0.00 0.00 2.15 0.00 0.00 33.22 35.11 1ap4 n MET 60 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1ap4 n ILE 61 N -0.38 0.00 0.24 1.12 5.41 -1.16 -4.63 119.36 119.95 1ap4 n ILE 61 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.93 1ap4 n ILE 61 Cb 0.07 -0.59 0.65 0.00 -0.71 0.00 0.00 39.64 39.06 1ap4 n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1ap4 h ASP 62 N 0.00 0.00 0.78 4.38 3.58 -1.50 0.96 116.42 124.62 1ap4 h ASP 62 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1ap4 h ASP 62 Cb 0.86 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1ap4 h ASP 62 CO 0.00 0.00 -1.32 1.05 -2.88 0.00 0.00 179.24 176.09 1ap4 h GLU 63 N 0.00 0.00 0.00 0.28 4.11 -1.83 -3.36 114.58 113.79 1ap4 h GLU 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ap4 h GLU 63 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ap4 h GLU 63 CO 0.00 0.68 -0.52 1.55 0.07 0.00 0.00 179.01 180.79 1ap4 n VAL 64 N -3.17 0.00 -2.58 -1.06 3.14 -0.57 -4.78 118.33 109.31 1ap4 n VAL 64 Ca -0.08 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.61 1ap4 n VAL 64 Cb 0.97 0.98 0.00 0.00 -1.06 0.00 0.00 33.84 34.73 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 -1.26 4.96 0.00 6.55 -0.08 0.32 -4.72 116.55 122.32 1ap4 n ASP 65 Ca 0.02 -2.98 0.13 0.00 -1.51 0.00 0.00 54.79 50.45 1ap4 n ASP 65 Cb 0.17 -1.61 0.63 0.00 2.34 0.00 0.00 41.12 42.65 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ap4 n GLU 66 N 6.00 0.29 0.00 -0.67 -0.58 -1.26 -3.05 120.64 121.37 1ap4 n GLU 66 Ca 0.42 0.05 0.09 0.00 -0.42 0.00 0.00 57.16 57.30 1ap4 n GLU 66 Cb 0.42 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 30.26 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ap4 n ASP 67 N -1.33 0.00 -1.10 1.62 8.00 -1.26 -4.81 116.55 117.66 1ap4 n ASP 67 Ca 0.11 -0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 1ap4 n ASP 67 Cb 0.23 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ap4 n GLY 68 N 0.22 1.22 0.12 0.44 0.00 -1.17 -4.77 105.19 101.24 1ap4 n GLY 68 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.81 1.55 0.00 1.61 3.41 -1.26 -4.99 113.62 113.13 1ap4 n SER 69 Ca -0.13 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1ap4 n SER 69 Cb 0.53 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.97 0.62 3.84 5.00 0.00 -1.26 -5.05 105.19 110.30 1ap4 n GLY 70 Ca -0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.17 5.42 -0.39 2.61 -4.23 -1.26 -4.11 115.64 111.50 1ap4 s THR 71 Ca 0.00 0.18 -0.22 0.00 -1.18 0.00 0.00 61.69 60.47 1ap4 s THR 71 Cb 0.00 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.47 1ap4 s THR 71 CO 0.00 0.58 0.71 -0.69 -0.54 0.00 0.00 174.62 174.69 1ap4 s VAL 72 N -0.75 4.78 0.35 2.29 1.01 -0.64 -4.83 120.40 122.60 1ap4 s VAL 72 Ca 0.13 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1ap4 s VAL 72 Cb -0.12 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.15 1ap4 s VAL 72 CO 0.03 -0.48 0.47 -0.67 0.00 0.00 0.00 175.10 174.45 1ap4 n ASP 73 N 6.33 0.44 0.18 3.32 -0.08 -1.26 0.22 116.55 125.69 1ap4 n ASP 73 Ca 0.01 -1.41 0.13 0.00 -1.51 0.00 0.00 54.79 52.01 1ap4 n ASP 73 Cb 0.48 -0.32 0.60 0.00 2.34 0.00 0.00 41.12 44.22 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1ap4 h PHE 74 N -0.71 0.00 0.17 -0.67 3.57 -1.97 0.18 116.94 117.51 1ap4 h PHE 74 Ca -0.15 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.03 1ap4 h PHE 74 Cb 0.52 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.27 1ap4 h PHE 74 CO 0.00 0.00 -1.57 0.22 -2.23 0.00 0.00 178.31 174.73 1ap4 h ASP 75 N 0.00 0.57 0.05 0.41 1.82 -2.00 -3.35 116.42 113.92 1ap4 h ASP 75 Ca 0.00 -0.92 -0.22 0.00 -0.39 0.00 0.00 57.03 55.51 1ap4 h ASP 75 Cb 0.26 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1ap4 h ASP 75 CO 0.00 1.71 -1.15 -0.33 -1.61 0.00 0.00 179.24 177.86 1ap4 h GLU 76 N -0.03 0.10 -0.99 0.28 5.08 -1.84 -3.31 114.58 113.87 1ap4 h GLU 76 Ca -0.31 -0.17 0.36 0.00 -1.00 0.00 0.00 59.36 58.24 1ap4 h GLU 76 Cb 1.99 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 31.12 1ap4 h GLU 76 CO 0.15 1.08 0.40 0.35 -1.00 0.00 0.00 179.01 180.00 1ap4 h PHE 77 N -0.70 0.61 0.00 4.33 3.57 -0.85 1.65 116.94 125.55 1ap4 h PHE 77 Ca -0.28 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.13 1ap4 h PHE 77 Cb 1.46 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1ap4 h PHE 77 CO 0.14 -0.42 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.06 1ap4 h LEU 78 N 0.05 0.00 0.04 0.59 3.38 -1.71 -2.95 115.31 114.71 1ap4 h LEU 78 Ca 0.76 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.64 1ap4 h LEU 78 Cb 1.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.63 1ap4 h LEU 78 CO -0.78 0.66 -0.36 0.58 0.09 0.00 0.00 178.44 178.63 1ap4 h VAL 79 N 0.00 1.59 -0.29 1.22 2.07 0.21 -2.47 116.25 118.58 1ap4 h VAL 79 Ca -0.01 -2.21 0.08 0.00 0.82 0.00 0.00 66.70 65.39 1ap4 h VAL 79 Cb 1.20 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1ap4 h VAL 79 CO 0.09 0.61 0.24 0.00 0.02 0.00 0.00 177.57 178.52 1ap4 h MET 80 N -0.56 0.00 0.06 1.57 -0.00 -0.49 0.02 114.93 115.53 1ap4 h MET 80 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1ap4 h MET 80 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1ap4 h MET 80 CO 0.07 0.00 -0.03 0.52 -0.00 0.00 0.00 176.91 177.47 1ap4 h MET 81 N 0.00 -0.08 -1.10 -0.10 2.07 -1.52 -3.23 114.93 110.97 1ap4 h MET 81 Ca 0.14 0.01 0.31 0.00 -2.07 0.00 0.00 59.70 58.08 1ap4 h MET 81 Cb 0.61 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.30 1ap4 h MET 81 CO -0.00 -0.05 0.78 -0.24 1.07 0.00 0.00 176.91 178.46 1ap4 h VAL 82 N -0.76 0.46 0.95 -2.22 3.04 -1.22 0.99 116.25 117.50 1ap4 h VAL 82 Ca -0.01 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.61 1ap4 h VAL 82 Cb 0.06 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1ap4 h VAL 82 CO 0.01 0.02 -0.49 0.03 -1.01 0.00 0.00 177.57 176.13 1ap4 h ARG 83 N 0.08 -1.27 -0.92 4.17 3.08 -1.07 -2.84 114.38 115.62 1ap4 h ARG 83 Ca 0.55 0.09 -0.29 0.00 0.07 0.00 0.00 59.98 60.40 1ap4 h ARG 83 Cb 2.00 0.29 -0.17 0.00 0.08 0.00 0.00 29.97 32.17 1ap4 h ARG 83 CO -0.07 -0.85 0.36 0.00 -1.07 0.00 0.00 179.97 178.35 1ap4 n MET 85 N -0.42 1.21 -0.04 0.00 2.81 0.24 -5.02 117.12 115.91 1ap4 n MET 85 Ca 0.38 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.23 1ap4 n MET 85 Cb 1.27 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.72 1ap4 n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ap4 n LYS 86 N 0.00 2.06 -2.85 0.03 0.00 -1.26 -5.06 118.16 111.07 1ap4 n LYS 86 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 58.31 58.29 1ap4 n LYS 86 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 33.83 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ap4 n ASP 87 N -2.43 -7.38 -1.27 3.14 9.92 -1.26 -4.79 116.55 112.48 1ap4 n ASP 87 Ca -0.14 0.17 0.16 0.00 -0.53 0.00 0.00 54.79 54.45 1ap4 n ASP 87 Cb 0.74 -4.99 -0.07 0.00 -0.64 0.00 0.00 41.12 36.16 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ap4 n ASP 88 N -1.13 -7.47 0.00 -2.24 9.92 -1.26 -5.31 116.55 109.06 1ap4 n ASP 88 Ca 0.05 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 1ap4 n ASP 88 Cb 0.47 -4.17 0.00 0.00 -0.64 0.00 0.00 41.12 36.78 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09