#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 -1.10 -1.34 7.83 2.03 -1.26 -4.92 116.55 117.79 1ap4 n ASP 2 Ca 0.00 -0.73 0.06 0.00 0.52 0.00 0.00 54.79 54.64 1ap4 n ASP 2 Cb 0.00 -0.26 0.28 0.00 -0.72 0.00 0.00 41.12 40.42 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ap4 n ASP 3 N -3.45 3.93 -0.06 1.67 2.03 -1.26 -4.37 116.55 115.05 1ap4 n ASP 3 Ca 0.04 -2.45 -0.05 0.00 0.52 0.00 0.00 54.79 52.85 1ap4 n ASP 3 Cb 0.15 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ap4 h ILE 4 N 3.01 0.37 -0.40 5.18 2.04 -2.00 -3.31 117.51 122.39 1ap4 h ILE 4 Ca 0.00 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1ap4 h ILE 4 Cb 1.29 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1ap4 h ILE 4 CO 0.24 0.12 0.25 1.88 0.00 0.00 0.00 178.15 180.64 1ap4 h TYR 5 N -1.00 0.52 -1.04 1.37 -1.99 -1.97 -2.03 116.97 110.82 1ap4 h TYR 5 Ca -0.03 0.00 0.31 0.00 2.00 0.00 0.00 58.73 61.02 1ap4 h TYR 5 Cb 0.40 -0.17 -0.14 0.00 2.00 0.00 0.00 36.73 38.82 1ap4 h TYR 5 CO -0.00 0.36 0.62 0.87 -0.00 0.00 0.00 178.16 180.01 1ap4 h LYS 6 N 0.53 0.34 0.00 4.88 1.79 -1.77 1.21 116.57 123.56 1ap4 h LYS 6 Ca 0.14 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.49 1ap4 h LYS 6 Cb -0.01 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1ap4 h LYS 6 CO -0.03 0.23 -0.47 0.00 -1.08 0.00 0.00 179.45 178.10 1ap4 h ALA 7 N 1.77 0.72 -0.27 3.86 0.00 -1.48 -3.20 119.26 120.66 1ap4 h ALA 7 Ca 0.71 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1ap4 h ALA 7 Cb 1.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1ap4 h ALA 7 CO -0.52 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.12 1ap4 h ALA 8 N 1.53 1.17 0.00 0.00 0.00 0.21 0.15 119.26 122.32 1ap4 h ALA 8 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1ap4 h ALA 8 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1ap4 h ALA 8 CO 0.06 0.53 -0.75 0.28 0.00 0.00 0.00 179.25 179.36 1ap4 h VAL 9 N 0.43 1.51 0.12 0.00 2.07 -1.38 -3.24 116.25 115.76 1ap4 h VAL 9 Ca 0.07 -2.62 -0.29 0.00 0.82 0.00 0.00 66.70 64.68 1ap4 h VAL 9 Cb 0.59 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1ap4 h VAL 9 CO 0.04 0.74 -1.41 -0.33 0.02 0.00 0.00 177.57 176.63 1ap4 h GLU 10 N 0.00 0.25 -0.31 1.57 5.08 -1.48 -3.26 114.58 116.44 1ap4 h GLU 10 Ca -0.01 -0.43 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1ap4 h GLU 10 Cb 1.37 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1ap4 h GLU 10 CO 0.10 1.14 0.28 1.96 -1.00 0.00 0.00 179.01 181.49 1ap4 h GLN 11 N 0.07 0.00 -6.29 2.33 4.20 -0.73 -3.43 115.11 111.26 1ap4 h GLN 11 Ca -0.20 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.95 1ap4 h GLN 11 Cb 2.00 0.00 0.21 0.00 0.30 0.00 0.00 27.48 29.98 1ap4 h GLN 11 CO 0.18 0.00 -1.12 1.28 -0.67 0.00 0.00 178.83 178.50 1ap4 n LEU 12 N -4.02 -2.79 -4.88 1.46 4.77 -1.23 -4.93 117.00 105.38 1ap4 n LEU 12 Ca 0.05 0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 1ap4 n LEU 12 Cb 0.44 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1ap4 n LEU 12 CO 0.31 -4.61 0.53 0.42 -1.33 0.00 0.00 177.39 172.71 1ap4 s THR 13 N -2.03 4.80 0.49 -5.08 -4.23 -1.26 -4.95 115.64 103.38 1ap4 s THR 13 Ca 0.53 0.55 0.22 0.00 -1.18 0.00 0.00 61.69 61.81 1ap4 s THR 13 Cb -0.31 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 69.98 1ap4 s THR 13 CO 0.70 -0.84 2.11 -0.08 -0.54 0.00 0.00 174.62 175.97 1ap4 h GLU 14 N 0.38 0.00 0.00 3.99 4.81 -1.94 -1.13 114.58 120.69 1ap4 h GLU 14 Ca -0.46 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1ap4 h GLU 14 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ap4 h GLU 14 CO 0.62 0.09 -0.13 1.05 -0.73 0.00 0.00 179.01 179.92 1ap4 h GLU 15 N 0.00 0.00 -0.04 1.92 4.11 -1.99 -2.70 114.58 115.88 1ap4 h GLU 15 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ap4 h GLU 15 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ap4 h GLU 15 CO 0.01 0.13 -0.05 0.37 0.07 0.00 0.00 179.01 179.54 1ap4 h GLN 16 N 0.00 0.11 0.00 1.06 5.75 -1.57 -2.68 115.11 117.78 1ap4 h GLN 16 Ca -0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1ap4 h GLN 16 Cb 1.05 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1ap4 h GLN 16 CO 0.02 0.57 -0.04 0.87 -2.65 0.00 0.00 178.83 177.60 1ap4 h LYS 17 N -0.35 0.00 -0.09 1.69 6.56 -1.63 -2.47 116.57 120.29 1ap4 h LYS 17 Ca 0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1ap4 h LYS 17 Cb 0.55 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1ap4 h LYS 17 CO 0.01 0.04 -0.09 -0.91 -2.06 0.00 0.00 179.45 176.45 1ap4 h ASN 18 N 0.00 0.23 -0.01 0.86 2.35 -1.42 0.02 115.58 117.61 1ap4 h ASN 18 Ca -0.00 -0.49 -0.24 0.00 -0.55 0.00 0.00 56.30 55.03 1ap4 h ASN 18 Cb 0.89 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 39.21 1ap4 h ASN 18 CO 0.01 0.67 -0.92 -0.33 -1.65 0.00 0.00 177.43 175.20 1ap4 h GLU 19 N -0.21 0.64 -0.21 0.81 4.39 -1.52 -3.23 114.58 115.24 1ap4 h GLU 19 Ca 0.01 -0.68 -0.08 0.00 0.34 0.00 0.00 59.36 58.96 1ap4 h GLU 19 Cb 0.60 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1ap4 h GLU 19 CO 0.02 1.27 -0.22 0.74 -1.16 0.00 0.00 179.01 179.66 1ap4 h PHE 20 N 0.28 0.42 -0.28 4.33 -1.00 -1.51 -2.37 116.94 116.80 1ap4 h PHE 20 Ca -0.11 -0.08 0.08 0.00 2.81 0.00 0.00 57.97 60.67 1ap4 h PHE 20 Cb 1.58 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 41.03 1ap4 h PHE 20 CO 0.11 0.58 0.21 -0.22 -1.61 0.00 0.00 178.31 177.39 1ap4 h LYS 21 N 0.34 0.00 0.42 1.51 3.64 -1.00 -1.12 116.57 120.37 1ap4 h LYS 21 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1ap4 h LYS 21 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ap4 h LYS 21 CO 0.04 0.00 -0.20 0.00 -2.27 0.00 0.00 179.45 177.02 1ap4 h ALA 22 N 1.84 -0.59 -0.68 5.00 0.00 -1.50 -3.15 119.26 120.17 1ap4 h ALA 22 Ca 0.14 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1ap4 h ALA 22 Cb 0.56 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1ap4 h ALA 22 CO -0.00 -0.55 0.23 0.00 0.00 0.00 0.00 179.25 178.92 1ap4 h ALA 23 N -1.21 0.90 -0.85 0.00 0.00 -1.51 -0.52 119.26 116.07 1ap4 h ALA 23 Ca -0.06 0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1ap4 h ALA 23 Cb 0.44 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1ap4 h ALA 23 CO 0.10 -0.24 0.20 0.35 0.00 0.00 0.00 179.25 179.65 1ap4 h PHE 24 N 0.37 0.29 0.00 0.00 3.04 -1.27 1.45 116.94 120.81 1ap4 h PHE 24 Ca 0.37 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1ap4 h PHE 24 Cb 0.54 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1ap4 h PHE 24 CO -0.20 -0.20 0.00 -0.44 -2.02 0.00 0.00 178.31 175.45 1ap4 h ASP 25 N 0.20 0.00 -0.05 0.41 5.19 -1.04 -2.57 116.42 118.56 1ap4 h ASP 25 Ca 0.52 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.71 1ap4 h ASP 25 Cb 1.01 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.52 1ap4 h ASP 25 CO -0.64 0.00 -0.80 0.40 -3.12 0.00 0.00 179.24 175.08 1ap4 h ILE 26 N 0.00 1.30 -0.04 0.35 1.08 0.21 -1.71 117.51 118.70 1ap4 h ILE 26 Ca 0.00 -2.04 -0.22 0.00 -0.39 0.00 0.00 64.86 62.21 1ap4 h ILE 26 Cb 0.24 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 1ap4 h ILE 26 CO 0.00 0.64 -0.88 -0.26 -0.69 0.00 0.00 178.15 176.96 1ap4 h PHE 27 N 0.48 0.71 0.00 1.37 0.04 -1.32 -2.98 116.94 115.24 1ap4 h PHE 27 Ca -0.06 -0.36 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1ap4 h PHE 27 Cb 1.42 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.48 1ap4 h PHE 27 CO 0.08 1.17 0.00 1.33 -0.60 0.00 0.00 178.31 180.29 1ap4 n VAL 28 N -3.81 0.59 0.25 -0.55 0.24 -1.10 -3.33 118.33 110.62 1ap4 n VAL 28 Ca -0.07 -0.05 0.15 0.00 -2.04 0.00 0.00 64.34 62.34 1ap4 n VAL 28 Cb 0.80 -0.76 0.67 0.00 -1.47 0.00 0.00 33.84 33.07 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ap4 h LEU 29 N 0.00 0.00 0.00 1.34 6.46 -1.14 0.47 115.31 122.44 1ap4 h LEU 29 Ca 0.00 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.58 1ap4 h LEU 29 Cb 0.55 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1ap4 h LEU 29 CO 0.00 0.00 -1.78 0.61 -0.62 0.00 0.00 178.44 176.65 1ap4 n GLY 30 N -1.35 -0.59 3.21 3.75 0.00 -1.21 -5.01 105.19 103.99 1ap4 n GLY 30 Ca 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.35 -4.31 -0.05 4.61 0.00 0.15 -4.93 120.51 113.64 1ap4 n ALA 31 Ca -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 53.44 51.95 1ap4 n ALA 31 Cb 0.79 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.29 0.67 -0.10 0.00 0.28 -1.26 -4.54 120.64 114.40 1ap4 n GLU 32 Ca 0.00 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.85 1ap4 n GLU 32 Cb 0.64 -1.57 -0.11 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.62 1.77 0.00 -1.84 5.68 -1.26 -5.01 116.55 113.26 1ap4 n ASP 33 Ca -0.20 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1ap4 n ASP 33 Cb 0.92 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 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 2.28 0.79 3.38 6.12 0.00 -1.26 -5.15 105.19 111.35 1ap4 n GLY 34 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.05 4.83 0.39 0.00 1.01 -1.15 -3.86 121.20 119.37 1ap4 s ILE 36 Ca 0.27 0.48 -0.24 0.00 0.00 0.00 0.00 60.65 61.15 1ap4 s ILE 36 Cb 0.02 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 1ap4 s ILE 36 CO 0.09 -0.44 1.04 -0.55 0.00 0.00 0.00 174.94 175.08 1ap4 s SER 37 N 1.89 6.80 0.44 3.58 0.15 -1.26 -1.24 113.70 124.05 1ap4 s SER 37 Ca 0.25 2.02 0.13 0.00 0.70 0.00 0.00 55.95 59.06 1ap4 s SER 37 Cb -0.14 -2.58 0.96 0.00 -1.71 0.00 0.00 66.02 62.55 1ap4 s SER 37 CO 0.17 -0.46 1.99 0.71 1.20 0.00 0.00 173.24 176.84 1ap4 h THR 38 N 2.22 1.13 -0.94 6.45 1.35 -1.95 -2.47 112.91 118.69 1ap4 h THR 38 Ca -0.48 -0.60 0.12 0.00 -0.55 0.00 0.00 66.41 64.91 1ap4 h THR 38 Cb 1.21 1.25 -0.09 0.00 -1.73 0.00 0.00 68.15 68.80 1ap4 h THR 38 CO 0.62 0.18 0.57 0.11 -0.25 0.00 0.00 175.52 176.75 1ap4 h LYS 39 N 0.08 0.85 -0.00 4.72 1.79 -1.94 -0.58 116.57 121.48 1ap4 h LYS 39 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ap4 h LYS 39 Cb 0.29 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1ap4 h LYS 39 CO 0.02 0.57 -0.58 0.39 -1.08 0.00 0.00 179.45 178.77 1ap4 n GLU 40 N -4.69 0.04 -0.29 3.15 -0.58 -1.00 -4.31 120.64 112.95 1ap4 n GLU 40 Ca 0.18 -0.02 0.03 0.00 -0.42 0.00 0.00 57.16 56.93 1ap4 n GLU 40 Cb 0.37 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.85 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ap4 h LEU 41 N 0.06 -0.75 -0.34 -4.62 7.12 -0.66 0.43 115.31 116.54 1ap4 h LEU 41 Ca 0.00 0.25 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1ap4 h LEU 41 Cb 0.50 0.51 -0.08 0.00 -0.53 0.00 0.00 40.66 41.06 1ap4 h LEU 41 CO 0.00 -0.27 -0.51 1.23 -0.13 0.00 0.00 178.44 178.75 1ap4 h GLY 42 N 0.00 -0.88 1.57 3.75 0.00 -1.75 0.64 103.07 106.41 1ap4 h GLY 42 Ca 0.40 0.65 -0.02 0.00 0.00 0.00 0.00 47.33 48.37 1ap4 h GLY 42 CO -0.85 -0.16 0.16 0.50 0.00 0.00 0.00 176.54 176.19 1ap4 h LYS 43 N -0.42 0.56 -0.53 4.80 1.57 -1.16 0.20 116.57 121.59 1ap4 h LYS 43 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 43 Cb 0.61 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1ap4 h LYS 43 CO -0.55 0.46 0.28 0.28 -0.57 0.00 0.00 179.45 179.35 1ap4 h VAL 44 N 0.56 1.18 0.09 0.50 2.07 0.35 -2.69 116.25 118.31 1ap4 h VAL 44 Ca 0.14 -0.48 -0.29 0.00 0.82 0.00 0.00 66.70 66.89 1ap4 h VAL 44 Cb 0.11 0.54 0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1ap4 h VAL 44 CO -0.01 0.20 -1.18 0.24 0.02 0.00 0.00 177.57 176.83 1ap4 h MET 45 N 0.71 0.64 -0.74 1.57 2.86 0.65 -2.36 114.93 118.25 1ap4 h MET 45 Ca 0.18 -0.81 0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1ap4 h MET 45 Cb 0.07 0.26 -0.11 0.00 0.06 0.00 0.00 31.60 31.88 1ap4 h MET 45 CO -0.03 1.37 0.21 0.00 1.06 0.00 0.00 176.91 179.52 1ap4 h ARG 46 N 0.30 0.30 0.01 1.72 2.47 -0.48 -1.18 114.38 117.51 1ap4 h ARG 46 Ca -0.17 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.29 1ap4 h ARG 46 Cb 1.85 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 30.07 1ap4 h ARG 46 CO 0.23 0.20 -1.26 0.00 0.56 0.00 0.00 179.97 179.69 1ap4 h MET 47 N 0.31 0.02 0.00 0.04 -0.00 -1.56 -3.29 114.93 110.44 1ap4 h MET 47 Ca 0.42 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 60.08 1ap4 h MET 47 Cb 0.71 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1ap4 h MET 47 CO -0.49 0.84 -0.07 -0.07 -0.00 0.00 0.00 176.91 177.13 1ap4 h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -0.69 -3.45 115.31 114.46 1ap4 h LEU 48 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ap4 h LEU 48 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1ap4 h LEU 48 CO 0.12 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1ap4 n GLY 49 N -1.16 1.89 2.84 0.83 0.00 -0.69 -5.08 105.19 103.83 1ap4 n GLY 49 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1ap4 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ap4 n GLN 50 N -0.40 1.03 -2.93 1.61 6.02 -0.67 -5.05 117.38 116.99 1ap4 n GLN 50 Ca 0.00 -2.86 -0.13 0.00 -0.01 0.00 0.00 57.00 54.01 1ap4 n GLN 50 Cb 0.00 0.72 0.03 0.00 1.02 0.00 0.00 30.24 32.01 1ap4 n GLN 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ap4 n ASN 51 N -1.31 -0.30 -4.78 1.08 3.02 -1.26 -4.37 115.26 107.34 1ap4 n ASN 51 Ca -0.15 -3.12 -0.36 0.00 -0.03 0.00 0.00 54.58 50.91 1ap4 n ASN 51 Cb 0.50 0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.46 3.92 0.78 3.52 0.04 -1.26 -5.04 135.00 135.50 1ap4 s PRO 52 Ca 0.31 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1ap4 s PRO 52 Cb 0.35 -2.41 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1ap4 s PRO 52 CO -0.05 -0.38 1.13 0.95 0.04 0.00 0.00 177.00 178.69 1ap4 s THR 53 N -1.65 2.10 0.25 1.26 -4.23 -1.26 -4.92 115.64 107.19 1ap4 s THR 53 Ca 0.62 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1ap4 s THR 53 Cb -0.24 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1ap4 s THR 53 CO 0.30 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.50 1ap4 h PRO 54 N -0.93 0.14 0.00 3.99 0.13 -2.01 -2.65 132.00 130.66 1ap4 h PRO 54 Ca -0.45 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1ap4 h PRO 54 Cb 1.31 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ap4 h PRO 54 CO 0.60 0.72 -0.41 1.49 -0.23 0.00 0.00 178.00 180.17 1ap4 h GLU 55 N 0.10 0.00 0.12 0.86 4.57 -2.02 -3.33 114.58 114.87 1ap4 h GLU 55 Ca -0.01 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 1ap4 h GLU 55 Cb 1.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1ap4 h GLU 55 CO 0.09 0.05 -1.43 0.93 -1.18 0.00 0.00 179.01 177.47 1ap4 h GLU 56 N 0.00 0.25 0.00 1.92 4.39 -1.91 -3.15 114.58 116.07 1ap4 h GLU 56 Ca -0.01 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1ap4 h GLU 56 Cb 1.06 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1ap4 h GLU 56 CO 0.01 1.13 0.00 1.28 -1.16 0.00 0.00 179.01 180.27 1ap4 n LEU 57 N -3.47 0.00 -0.17 1.33 4.32 -1.01 0.50 117.00 118.51 1ap4 n LEU 57 Ca -0.13 0.32 -0.02 0.00 -0.02 0.00 0.00 56.01 56.16 1ap4 n LEU 57 Cb 1.04 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.91 1ap4 n LEU 57 CO 0.51 0.00 0.88 -0.61 -1.22 0.00 0.00 177.39 176.95 1ap4 h GLN 58 N 0.00 0.18 -0.02 3.23 5.75 -1.78 -0.91 115.11 121.56 1ap4 h GLN 58 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1ap4 h GLN 58 Cb 0.00 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1ap4 h GLN 58 CO 0.00 0.12 -0.03 1.49 -2.65 0.00 0.00 178.83 177.76 1ap4 h GLU 59 N 0.18 -0.02 -0.51 1.69 4.81 -1.47 1.30 114.58 120.57 1ap4 h GLU 59 Ca 0.27 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1ap4 h GLU 59 Cb 0.39 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1ap4 h GLU 59 CO -0.39 -0.01 -0.05 0.52 -0.73 0.00 0.00 179.01 178.35 1ap4 h MET 60 N -0.02 0.06 0.64 1.92 2.86 0.25 0.11 114.93 120.76 1ap4 h MET 60 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1ap4 h MET 60 Cb 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1ap4 h MET 60 CO -0.03 0.04 -0.42 0.82 1.06 0.00 0.00 176.91 178.38 1ap4 h ILE 61 N 0.07 0.00 -0.12 -1.22 2.04 -0.38 0.13 117.51 118.03 1ap4 h ILE 61 Ca 0.25 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.15 1ap4 h ILE 61 Cb 0.39 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ap4 h ILE 61 CO -0.47 0.00 0.37 -0.78 0.00 0.00 0.00 178.15 177.28 1ap4 h ASP 62 N -1.01 0.00 0.34 1.72 3.58 0.21 0.44 116.42 121.70 1ap4 h ASP 62 Ca -0.09 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.04 1ap4 h ASP 62 Cb 0.82 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.88 1ap4 h ASP 62 CO 0.07 0.00 -1.56 -0.33 -2.88 0.00 0.00 179.24 174.54 1ap4 h GLU 63 N 0.00 0.38 0.00 0.28 5.08 0.58 -3.32 114.58 117.58 1ap4 h GLU 63 Ca 0.06 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1ap4 h GLU 63 Cb 0.80 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ap4 h GLU 63 CO -0.00 1.28 -0.59 -0.24 -1.00 0.00 0.00 179.01 178.46 1ap4 h VAL 64 N 0.10 0.00 -2.79 3.13 3.04 0.17 -3.46 116.25 116.44 1ap4 h VAL 64 Ca -0.27 -0.56 -0.53 0.00 -1.01 0.00 0.00 66.70 64.33 1ap4 h VAL 64 Cb 2.08 1.18 0.02 0.00 -2.01 0.00 0.00 31.29 32.57 1ap4 h VAL 64 CO 0.20 0.00 0.91 -0.62 -1.01 0.00 0.00 177.57 177.05 1ap4 s ASP 65 N -4.44 6.66 -0.06 3.17 2.15 0.13 -4.87 116.67 119.40 1ap4 s ASP 65 Ca 0.06 2.46 0.05 0.00 0.43 0.00 0.00 52.55 55.55 1ap4 s ASP 65 Cb 0.13 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1ap4 s ASP 65 CO 0.72 -0.82 0.02 -0.62 -0.17 0.00 0.00 175.17 174.29 1ap4 n GLU 66 N 4.92 2.94 -0.02 4.34 1.02 -1.26 -4.51 120.64 128.08 1ap4 n GLU 66 Ca 0.14 -0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.32 1ap4 n GLU 66 Cb 0.41 -1.16 0.19 0.00 -0.02 0.00 0.00 31.44 30.86 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 67 N -2.24 0.21 -4.02 1.62 5.68 -1.26 -4.88 116.55 111.67 1ap4 n ASP 67 Ca -0.10 -1.82 -0.28 0.00 -0.50 0.00 0.00 54.79 52.10 1ap4 n ASP 67 Cb 0.70 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.63 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 0.66 -0.26 0.14 6.12 0.00 -1.26 -4.87 105.19 105.70 1ap4 n GLY 68 Ca 0.06 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.92 1.95 0.00 1.61 3.41 -1.26 -5.02 113.62 111.39 1ap4 n SER 69 Ca -0.23 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ap4 n SER 69 Cb 0.65 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.35 1.81 3.90 5.00 0.00 -1.26 -5.08 105.19 110.91 1ap4 n GLY 70 Ca -0.51 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.99 4.95 -0.49 2.61 -4.23 -1.26 -4.45 115.64 111.79 1ap4 s THR 71 Ca 0.00 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 1ap4 s THR 71 Cb 0.00 -3.78 0.07 0.00 1.34 0.00 0.00 72.50 70.14 1ap4 s THR 71 CO 0.00 -0.51 0.47 -0.69 -0.54 0.00 0.00 174.62 173.35 1ap4 s VAL 72 N -2.32 5.13 0.50 2.29 1.01 -0.37 -4.95 120.40 121.69 1ap4 s VAL 72 Ca 0.46 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ap4 s VAL 72 Cb -0.10 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1ap4 s VAL 72 CO 0.34 -0.67 0.73 -0.62 0.00 0.00 0.00 175.10 174.88 1ap4 s ASP 73 N 2.71 5.58 0.52 3.32 2.15 -1.26 -2.92 116.67 126.77 1ap4 s ASP 73 Ca 0.07 0.19 0.40 0.00 0.43 0.00 0.00 52.55 53.63 1ap4 s ASP 73 Cb -0.23 -1.27 1.58 0.00 -0.30 0.00 0.00 42.92 42.69 1ap4 s ASP 73 CO 0.08 -0.91 1.67 0.15 -0.17 0.00 0.00 175.17 175.99 1ap4 h PHE 74 N 0.23 0.15 0.17 -5.34 3.57 -1.95 2.10 116.94 115.86 1ap4 h PHE 74 Ca -0.44 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 1ap4 h PHE 74 Cb 1.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1ap4 h PHE 74 CO 0.42 -0.04 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.94 1ap4 h ASP 75 N 0.04 -0.20 0.55 0.41 3.32 -2.00 -2.57 116.42 115.98 1ap4 h ASP 75 Ca 0.77 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.72 1ap4 h ASP 75 Cb 2.90 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 42.48 1ap4 h ASP 75 CO -0.11 -0.08 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.47 1ap4 h GLU 76 N -0.35 0.00 -0.82 3.56 5.08 -1.62 -2.92 114.58 117.51 1ap4 h GLU 76 Ca -0.02 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1ap4 h GLU 76 Cb 0.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1ap4 h GLU 76 CO 0.04 0.52 0.52 0.35 -1.00 0.00 0.00 179.01 179.45 1ap4 h PHE 77 N 0.00 0.98 -0.05 4.33 3.57 0.33 -1.06 116.94 125.04 1ap4 h PHE 77 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ap4 h PHE 77 Cb 0.94 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1ap4 h PHE 77 CO 0.00 0.56 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.47 1ap4 h LEU 78 N 1.02 0.17 -1.52 0.59 3.38 -1.35 -3.13 115.31 114.47 1ap4 h LEU 78 Ca 0.33 -0.58 0.15 0.00 0.09 0.00 0.00 57.88 57.87 1ap4 h LEU 78 Cb 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1ap4 h LEU 78 CO -0.11 0.72 0.52 0.58 0.09 0.00 0.00 178.44 180.23 1ap4 h VAL 79 N -0.37 0.80 -0.04 1.22 2.07 -1.32 0.14 116.25 118.75 1ap4 h VAL 79 Ca 0.00 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1ap4 h VAL 79 Cb 0.69 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1ap4 h VAL 79 CO 0.02 0.09 -0.30 -0.03 0.02 0.00 0.00 177.57 177.37 1ap4 h MET 80 N 0.47 0.08 0.13 1.57 4.05 -1.15 -2.17 114.93 117.91 1ap4 h MET 80 Ca 0.39 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 1ap4 h MET 80 Cb 0.83 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1ap4 h MET 80 CO -0.14 0.38 -0.06 0.52 0.23 0.00 0.00 176.91 177.84 1ap4 h MET 81 N 0.07 -0.16 -0.62 0.39 2.07 -0.71 -3.23 114.93 112.74 1ap4 h MET 81 Ca 0.01 0.01 0.18 0.00 -2.07 0.00 0.00 59.70 57.83 1ap4 h MET 81 Cb 0.57 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.31 1ap4 h MET 81 CO 0.04 -0.11 0.66 -0.24 1.07 0.00 0.00 176.91 178.34 1ap4 h VAL 82 N -0.96 0.28 0.67 -2.22 3.04 -1.41 -1.21 116.25 114.43 1ap4 h VAL 82 Ca -0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 1ap4 h VAL 82 Cb 0.13 0.47 0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1ap4 h VAL 82 CO 0.03 0.00 -0.32 0.03 -1.01 0.00 0.00 177.57 176.30 1ap4 h ARG 83 N 0.00 -0.87 0.00 4.17 3.08 -1.41 0.20 114.38 119.55 1ap4 h ARG 83 Ca 0.29 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1ap4 h ARG 83 Cb 1.62 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1ap4 h ARG 83 CO -0.00 -0.58 0.00 0.00 -1.07 0.00 0.00 179.97 178.32 1ap4 h MET 85 N 0.00 0.47 -3.46 0.00 2.86 -0.68 -3.42 114.93 110.70 1ap4 h MET 85 Ca 0.00 -0.76 -0.58 0.00 -2.06 0.00 0.00 59.70 56.30 1ap4 h MET 85 Cb 0.01 0.28 -0.40 0.00 0.06 0.00 0.00 31.60 31.54 1ap4 h MET 85 CO 0.00 1.36 -0.76 0.21 1.06 0.00 0.00 176.91 178.78 1ap4 s LYS 86 N -2.69 0.68 0.43 1.72 2.20 0.65 -5.08 119.74 117.66 1ap4 s LYS 86 Ca -0.07 -1.06 0.05 0.00 -0.36 0.00 0.00 55.97 54.53 1ap4 s LYS 86 Cb 0.05 -1.92 -0.06 0.00 -1.51 0.00 0.00 37.83 34.39 1ap4 s LYS 86 CO 0.92 -1.00 0.02 0.34 -0.36 0.00 0.00 175.35 175.27 1ap4 s ASP 87 N 1.61 3.79 0.73 1.43 2.15 -1.23 -4.69 116.67 120.47 1ap4 s ASP 87 Ca 0.10 -1.45 0.00 0.00 0.43 0.00 0.00 52.55 51.63 1ap4 s ASP 87 Cb -0.17 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1ap4 s ASP 87 CO -0.25 -0.57 0.00 -0.67 -0.17 0.00 0.00 175.17 173.50 1ap4 n ASP 88 N -1.03 -5.06 -0.61 -0.34 -0.08 -1.26 -5.16 116.55 103.01 1ap4 n ASP 88 Ca -0.08 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.43 1ap4 n ASP 88 Cb 0.67 -0.44 0.06 0.00 2.34 0.00 0.00 41.12 43.75 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08