#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 -1.89 0.00 7.83 2.03 -1.26 -5.08 116.55 118.18 1ap4 n ASP 2 Ca 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1ap4 n ASP 2 Cb 0.00 1.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ap4 n ASP 3 N -0.37 0.00 0.00 1.67 8.00 -1.26 -4.82 116.55 119.77 1ap4 n ASP 3 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ap4 n ASP 3 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ap4 n ILE 4 N 0.00 0.00 -0.09 0.53 5.41 -1.26 -4.15 119.36 119.81 1ap4 n ILE 4 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1ap4 n ILE 4 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1ap4 h TYR 5 N 0.00 -1.00 -0.44 1.39 -1.99 -2.01 0.78 116.97 113.69 1ap4 h TYR 5 Ca 0.00 0.06 0.13 0.00 2.00 0.00 0.00 58.73 60.91 1ap4 h TYR 5 Cb 0.00 0.49 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 1ap4 h TYR 5 CO 0.00 -0.41 0.64 1.57 -0.00 0.00 0.00 178.16 179.96 1ap4 h LYS 6 N -0.32 0.00 0.00 4.88 5.09 -1.95 0.96 116.57 125.24 1ap4 h LYS 6 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 60.67 1ap4 h LYS 6 Cb 0.56 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.86 1ap4 h LYS 6 CO -0.50 0.00 -1.05 0.00 -2.09 0.00 0.00 179.45 175.81 1ap4 h ALA 7 N 1.13 0.44 -0.20 0.07 0.00 0.23 -3.20 119.26 117.74 1ap4 h ALA 7 Ca 0.21 -0.94 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 1ap4 h ALA 7 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1ap4 h ALA 7 CO -0.00 1.23 -0.19 0.00 0.00 0.00 0.00 179.25 180.29 1ap4 h ALA 8 N 1.05 1.31 -0.23 0.00 0.00 0.17 -1.91 119.26 119.65 1ap4 h ALA 8 Ca -0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 1ap4 h ALA 8 Cb 1.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ap4 h ALA 8 CO 0.12 0.46 -0.64 0.28 0.00 0.00 0.00 179.25 179.47 1ap4 h VAL 9 N 0.31 1.28 0.00 0.00 2.07 -1.55 -3.05 116.25 115.31 1ap4 h VAL 9 Ca 0.05 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1ap4 h VAL 9 Cb 0.52 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ap4 h VAL 9 CO 0.03 0.59 -0.28 -0.08 0.02 0.00 0.00 177.57 177.85 1ap4 h GLU 10 N 0.59 0.00 0.00 1.57 4.81 -1.49 -2.46 114.58 117.60 1ap4 h GLU 10 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ap4 h GLU 10 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ap4 h GLU 10 CO 0.14 0.28 0.04 1.96 -0.73 0.00 0.00 179.01 180.70 1ap4 h GLN 11 N 0.00 0.00 0.00 1.92 4.20 -1.23 -3.42 115.11 116.58 1ap4 h GLN 11 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ap4 h GLN 11 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1ap4 h GLN 11 CO 0.04 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 1ap4 n LEU 12 N -2.52 0.00 -4.33 1.46 4.77 -0.93 -5.07 117.00 110.38 1ap4 n LEU 12 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 1ap4 n LEU 12 Cb 0.08 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1ap4 n LEU 12 CO 0.13 -0.43 -0.45 0.42 -1.33 0.00 0.00 177.39 175.72 1ap4 s THR 13 N -0.18 1.73 0.34 -5.08 -4.23 -1.26 -5.01 115.64 101.95 1ap4 s THR 13 Ca 0.00 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1ap4 s THR 13 Cb 0.00 -1.96 0.32 0.00 1.34 0.00 0.00 72.50 72.20 1ap4 s THR 13 CO 0.00 -0.52 1.84 -0.33 -0.54 0.00 0.00 174.62 175.07 1ap4 h GLU 14 N 2.79 0.70 0.00 3.99 3.07 -1.97 0.44 114.58 123.60 1ap4 h GLU 14 Ca -0.39 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 1ap4 h GLU 14 Cb 1.22 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1ap4 h GLU 14 CO 0.59 0.46 -0.06 1.05 -1.40 0.00 0.00 179.01 179.65 1ap4 h GLU 15 N 0.72 0.00 0.00 2.33 -0.00 -1.98 0.84 114.58 116.50 1ap4 h GLU 15 Ca 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.81 1ap4 h GLU 15 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 1ap4 h GLU 15 CO -0.26 0.06 -0.17 0.37 -0.00 0.00 0.00 179.01 179.01 1ap4 h GLN 16 N 0.00 0.11 0.00 1.06 5.75 -0.51 -3.14 115.11 118.38 1ap4 h GLN 16 Ca -0.00 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.30 1ap4 h GLN 16 Cb 0.28 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1ap4 h GLN 16 CO 0.01 0.89 -0.37 0.87 -2.65 0.00 0.00 178.83 177.57 1ap4 h LYS 17 N -0.61 0.00 -0.55 1.69 1.57 -1.30 -2.90 116.57 114.46 1ap4 h LYS 17 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1ap4 h LYS 17 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1ap4 h LYS 17 CO 0.03 0.37 0.07 -0.91 -0.57 0.00 0.00 179.45 178.44 1ap4 h ASN 18 N 0.00 0.85 0.83 0.86 2.35 -0.90 -1.96 115.58 117.62 1ap4 h ASN 18 Ca -0.00 -0.19 -0.24 0.00 -0.55 0.00 0.00 56.30 55.32 1ap4 h ASN 18 Cb 1.12 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1ap4 h ASN 18 CO 0.05 0.88 -1.15 -0.33 -1.65 0.00 0.00 177.43 175.23 1ap4 h GLU 19 N 0.85 0.09 -0.15 0.81 5.08 -1.53 -3.27 114.58 116.45 1ap4 h GLU 19 Ca 0.17 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1ap4 h GLU 19 Cb 0.41 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ap4 h GLU 19 CO 0.01 1.03 -0.26 0.74 -1.00 0.00 0.00 179.01 179.53 1ap4 h PHE 20 N 0.02 0.31 -0.29 4.33 -1.00 -1.30 -2.95 116.94 116.06 1ap4 h PHE 20 Ca -0.08 -0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.66 1ap4 h PHE 20 Cb 1.86 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 41.32 1ap4 h PHE 20 CO 0.02 0.52 0.15 -0.22 -1.61 0.00 0.00 178.31 177.17 1ap4 h LYS 21 N 0.25 0.30 0.09 1.51 3.64 -1.41 0.51 116.57 121.47 1ap4 h LYS 21 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ap4 h LYS 21 Cb 0.60 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ap4 h LYS 21 CO 0.04 0.20 -0.04 0.00 -2.27 0.00 0.00 179.45 177.38 1ap4 h ALA 22 N 1.14 -0.12 -0.71 5.00 0.00 -1.64 -2.66 119.26 120.27 1ap4 h ALA 22 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ap4 h ALA 22 Cb 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ap4 h ALA 22 CO -0.07 -0.56 0.20 0.00 0.00 0.00 0.00 179.25 178.82 1ap4 h ALA 23 N 0.79 1.02 -0.72 0.00 0.00 -1.37 -2.78 119.26 116.20 1ap4 h ALA 23 Ca -0.01 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1ap4 h ALA 23 Cb 0.09 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 1ap4 h ALA 23 CO 0.02 0.65 0.18 0.35 0.00 0.00 0.00 179.25 180.45 1ap4 h PHE 24 N 1.06 0.27 0.00 0.00 3.04 0.36 1.06 116.94 122.74 1ap4 h PHE 24 Ca 0.23 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.22 1ap4 h PHE 24 Cb 0.32 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1ap4 h PHE 24 CO 0.03 -0.07 0.00 -0.25 -2.02 0.00 0.00 178.31 176.00 1ap4 n ASP 25 N -5.14 0.53 0.00 0.41 9.92 -1.04 -2.11 116.55 119.12 1ap4 n ASP 25 Ca 0.13 0.69 -0.13 0.00 -0.53 0.00 0.00 54.79 54.95 1ap4 n ASP 25 Cb 0.43 -0.78 -0.14 0.00 -0.64 0.00 0.00 41.12 39.99 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 0.88 0.00 0.53 2.04 0.11 -3.32 117.51 117.75 1ap4 h ILE 26 Ca 0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1ap4 h ILE 26 Cb 0.16 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1ap4 h ILE 26 CO 0.00 0.67 0.00 0.49 0.00 0.00 0.00 178.15 179.31 1ap4 n PHE 27 N -3.23 0.69 -0.41 1.37 3.72 -0.78 -2.83 117.46 115.99 1ap4 n PHE 27 Ca -0.20 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1ap4 n PHE 27 Cb 1.04 -0.85 0.33 0.00 -0.94 0.00 0.00 39.48 39.06 1ap4 n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ap4 n VAL 28 N -2.08 1.14 -1.48 -4.37 0.24 -1.10 -4.62 118.33 106.06 1ap4 n VAL 28 Ca 0.05 -1.03 -0.43 0.00 -2.04 0.00 0.00 64.34 60.89 1ap4 n VAL 28 Cb 0.37 0.44 -0.12 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.55 0.83 -0.60 1.34 -0.00 -1.13 0.24 117.00 119.24 1ap4 n LEU 29 Ca 0.25 0.11 -0.07 0.00 -0.00 0.00 0.00 56.01 56.30 1ap4 n LEU 29 Cb 0.67 -1.07 -0.03 0.00 -0.00 0.00 0.00 43.42 42.99 1ap4 n LEU 29 CO 0.18 -0.89 -0.07 0.61 -0.00 0.00 0.00 177.39 177.22 1ap4 n GLY 30 N 6.51 0.78 2.33 -3.96 0.00 -1.26 -4.88 105.19 104.70 1ap4 n GLY 30 Ca 0.58 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 0.69 5.30 -0.81 4.61 0.00 0.67 -4.82 120.51 126.14 1ap4 n ALA 31 Ca -0.07 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1ap4 n ALA 31 Cb 0.29 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ap4 n GLU 32 N 3.33 0.00 0.00 0.00 -0.58 -1.26 -0.35 120.64 121.78 1ap4 n GLU 32 Ca 0.44 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.28 1ap4 n GLU 32 Cb 0.40 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.36 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ap4 n ASP 33 N 1.24 2.69 0.00 1.62 5.75 -1.26 -4.93 116.55 121.65 1ap4 n ASP 33 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1ap4 n ASP 33 Cb 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.16 1.37 2.94 6.12 0.00 0.52 -5.12 105.19 112.18 1ap4 n GLY 34 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ILE 36 N -1.79 2.56 -1.19 0.00 5.41 -0.63 -3.73 119.36 119.99 1ap4 n ILE 36 Ca 0.07 -5.37 -0.37 0.00 1.00 0.00 0.00 62.75 58.08 1ap4 n ILE 36 Cb 0.46 -1.57 0.04 0.00 -0.71 0.00 0.00 39.64 37.86 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1ap4 n SER 37 N 0.17 -3.30 0.20 4.38 3.41 -1.26 -3.36 113.62 113.87 1ap4 n SER 37 Ca 0.30 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.52 1ap4 n SER 37 Cb 0.42 -0.97 0.61 0.00 -0.26 0.00 0.00 64.21 64.02 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ap4 h THR 38 N -0.37 0.99 -0.17 6.66 1.03 -1.94 -1.20 112.91 117.91 1ap4 h THR 38 Ca -0.43 -0.03 -0.02 0.00 -0.01 0.00 0.00 66.41 65.92 1ap4 h THR 38 Cb 1.38 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.35 1ap4 h THR 38 CO 0.38 0.01 -0.00 0.50 -0.01 0.00 0.00 175.52 176.40 1ap4 h LYS 39 N 0.08 0.24 -0.92 0.00 1.63 -1.93 -2.23 116.57 113.44 1ap4 h LYS 39 Ca 0.05 -0.03 -0.58 0.00 -0.85 0.00 0.00 60.65 59.23 1ap4 h LYS 39 Cb 0.09 -0.04 -0.29 0.00 -0.60 0.00 0.00 32.23 31.38 1ap4 h LYS 39 CO -0.01 0.27 0.58 -1.91 -3.45 0.00 0.00 179.45 174.94 1ap4 n GLU 40 N -4.39 2.58 0.00 1.90 2.13 -0.46 -4.35 120.64 118.05 1ap4 n GLU 40 Ca -0.00 -3.28 0.00 0.00 0.66 0.00 0.00 57.16 54.53 1ap4 n GLU 40 Cb 0.17 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ap4 n LEU 41 N -0.98 0.53 0.06 4.31 4.77 -0.84 -4.52 117.00 120.33 1ap4 n LEU 41 Ca 0.58 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1ap4 n LEU 41 Cb 1.01 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.01 1ap4 n LEU 41 CO 0.66 0.09 0.51 1.23 -1.33 0.00 0.00 177.39 178.55 1ap4 h GLY 42 N 0.00 -1.16 2.00 -0.72 0.00 -1.76 0.97 103.07 102.40 1ap4 h GLY 42 Ca 0.00 0.65 -0.00 0.00 0.00 0.00 0.00 47.33 47.98 1ap4 h GLY 42 CO 0.00 -0.27 -0.02 0.07 0.00 0.00 0.00 176.54 176.32 1ap4 h LYS 43 N -0.62 0.00 0.01 4.80 2.10 -1.86 -2.63 116.57 118.36 1ap4 h LYS 43 Ca 0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ap4 h LYS 43 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1ap4 h LYS 43 CO -0.30 0.02 -0.06 0.28 -2.00 0.00 0.00 179.45 177.39 1ap4 h VAL 44 N 0.00 1.70 -1.01 0.07 2.07 -0.77 -3.20 116.25 115.12 1ap4 h VAL 44 Ca -0.00 -2.13 0.23 0.00 0.82 0.00 0.00 66.70 65.62 1ap4 h VAL 44 Cb 0.11 3.14 -0.10 0.00 -1.52 0.00 0.00 31.29 32.92 1ap4 h VAL 44 CO 0.00 0.56 0.63 0.24 0.02 0.00 0.00 177.57 179.02 1ap4 h MET 45 N -0.85 0.52 -0.26 1.57 2.86 0.12 0.36 114.93 119.24 1ap4 h MET 45 Ca -0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1ap4 h MET 45 Cb 0.95 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1ap4 h MET 45 CO 0.01 0.35 -0.18 0.00 1.06 0.00 0.00 176.91 178.15 1ap4 h ARG 46 N 0.54 0.47 -0.12 1.72 3.08 -1.59 -2.19 114.38 116.28 1ap4 h ARG 46 Ca 0.59 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.46 1ap4 h ARG 46 Cb 1.24 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1ap4 h ARG 46 CO -0.34 0.63 -0.03 0.52 -1.07 0.00 0.00 179.97 179.68 1ap4 h MET 47 N 0.43 0.22 0.00 0.04 2.86 -0.30 -3.35 114.93 114.83 1ap4 h MET 47 Ca 0.07 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ap4 h MET 47 Cb 0.56 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ap4 h MET 47 CO 0.04 0.53 0.00 1.28 1.06 0.00 0.00 176.91 179.81 1ap4 n LEU 48 N -4.74 0.00 0.00 1.22 4.77 -0.89 -4.87 117.00 112.48 1ap4 n LEU 48 Ca -0.06 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1ap4 n LEU 48 Cb 0.24 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ap4 n LEU 48 CO 0.36 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1ap4 n GLY 49 N -0.83 0.00 2.31 -0.72 0.00 -1.14 -5.13 105.19 99.69 1ap4 n GLY 49 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.64 -2.95 1.61 6.02 -0.84 -5.05 117.38 116.81 1ap4 n GLN 50 Ca 0.00 -2.38 -0.14 0.00 -0.01 0.00 0.00 57.00 54.47 1ap4 n GLN 50 Cb 0.00 1.38 0.02 0.00 1.02 0.00 0.00 30.24 32.66 1ap4 n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ap4 n ASN 51 N -1.74 -1.01 -3.92 1.08 2.85 -1.26 -4.01 115.26 107.25 1ap4 n ASN 51 Ca -0.03 -3.27 -0.30 0.00 -0.11 0.00 0.00 54.58 50.87 1ap4 n ASN 51 Cb 0.42 0.70 0.22 0.00 1.24 0.00 0.00 39.78 42.37 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ap4 s PRO 52 N -0.78 -0.63 0.34 1.20 0.04 -1.26 -5.08 135.00 128.83 1ap4 s PRO 52 Ca 0.31 -0.17 0.10 0.00 0.04 0.00 0.00 61.00 61.28 1ap4 s PRO 52 Cb 0.28 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 33.09 1ap4 s PRO 52 CO -0.10 -3.30 -0.09 0.95 0.04 0.00 0.00 177.00 174.50 1ap4 s THR 53 N -3.28 2.30 0.07 1.26 -4.23 -1.26 -4.98 115.64 105.52 1ap4 s THR 53 Ca 0.72 -2.19 0.33 0.00 -1.18 0.00 0.00 61.69 59.37 1ap4 s THR 53 Cb -0.08 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.50 1ap4 s THR 53 CO 0.55 -0.21 1.96 1.55 -0.54 0.00 0.00 174.62 177.93 1ap4 h PRO 54 N 2.01 0.00 0.12 3.99 0.13 -1.99 0.15 132.00 136.41 1ap4 h PRO 54 Ca -0.42 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.41 1ap4 h PRO 54 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ap4 h PRO 54 CO 0.70 0.01 -1.50 0.93 -0.23 0.00 0.00 178.00 177.90 1ap4 h GLU 55 N 0.00 0.26 0.07 0.86 4.39 -2.03 -3.37 114.58 114.76 1ap4 h GLU 55 Ca -0.00 -0.45 -0.33 0.00 0.34 0.00 0.00 59.36 58.92 1ap4 h GLU 55 Cb 0.55 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1ap4 h GLU 55 CO 0.00 1.14 -1.81 0.93 -1.16 0.00 0.00 179.01 178.11 1ap4 h GLU 56 N 0.07 0.15 -0.96 2.33 3.07 -1.94 -3.37 114.58 113.94 1ap4 h GLU 56 Ca -0.23 -0.26 0.25 0.00 -0.50 0.00 0.00 59.36 58.62 1ap4 h GLU 56 Cb 2.02 0.10 -0.18 0.00 -0.84 0.00 0.00 28.75 29.85 1ap4 h GLU 56 CO 0.17 0.90 0.00 -0.07 -1.40 0.00 0.00 179.01 178.62 1ap4 h LEU 57 N 0.04 -0.50 0.51 1.33 3.38 -0.85 0.82 115.31 120.03 1ap4 h LEU 57 Ca -0.34 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ap4 h LEU 57 Cb 2.02 0.48 0.00 0.00 0.09 0.00 0.00 40.66 43.26 1ap4 h LEU 57 CO 0.10 -0.33 -0.24 -0.61 0.09 0.00 0.00 178.44 177.44 1ap4 h GLN 58 N 0.02 -0.66 -0.98 1.13 -0.00 -1.74 -2.70 115.11 110.19 1ap4 h GLN 58 Ca 0.57 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 59.34 1ap4 h GLN 58 Cb 1.13 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.69 1ap4 h GLN 58 CO -0.90 -0.35 0.63 0.93 0.00 0.00 0.00 178.83 179.14 1ap4 h GLU 59 N -0.94 1.06 0.00 1.69 5.08 -1.18 0.19 114.58 120.47 1ap4 h GLU 59 Ca -0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ap4 h GLU 59 Cb 0.61 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ap4 h GLU 59 CO 0.11 0.70 -0.00 0.52 -1.00 0.00 0.00 179.01 179.34 1ap4 h MET 60 N 1.09 0.00 0.00 2.33 2.86 0.64 -1.58 114.93 120.28 1ap4 h MET 60 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1ap4 h MET 60 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ap4 h MET 60 CO -0.18 0.00 -1.38 -0.89 1.06 0.00 0.00 176.91 175.52 1ap4 n ILE 61 N -3.14 0.00 1.78 -1.22 5.41 0.39 -4.19 119.36 118.39 1ap4 n ILE 61 Ca -0.02 -0.27 0.04 0.00 1.00 0.00 0.00 62.75 63.50 1ap4 n ILE 61 Cb 0.11 0.49 0.21 0.00 -0.71 0.00 0.00 39.64 39.74 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 -1.81 0.41 0.00 4.38 2.03 0.28 -2.93 116.55 118.90 1ap4 n ASP 62 Ca -0.00 -1.81 0.00 0.00 0.52 0.00 0.00 54.79 53.49 1ap4 n ASP 62 Cb 0.38 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.37 3.68 0.09 -0.67 1.02 -1.20 -4.70 120.64 118.50 1ap4 n GLU 63 Ca 0.07 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 1ap4 n GLU 63 Cb 0.09 -0.99 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.00 0.33 -2.95 2.62 3.04 -1.73 -3.45 116.25 114.11 1ap4 h VAL 64 Ca 0.00 -1.58 -0.53 0.00 -1.01 0.00 0.00 66.70 63.58 1ap4 h VAL 64 Cb 0.97 1.90 0.02 0.00 -2.01 0.00 0.00 31.29 32.18 1ap4 h VAL 64 CO 0.00 0.19 0.78 -0.62 -1.01 0.00 0.00 177.57 176.90 1ap4 s ASP 65 N -5.79 6.78 0.00 3.17 2.15 -1.15 -4.88 116.67 116.95 1ap4 s ASP 65 Ca 0.00 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.34 1ap4 s ASP 65 Cb 0.08 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1ap4 s ASP 65 CO 0.78 -0.70 0.68 -0.62 -0.17 0.00 0.00 175.17 175.14 1ap4 n GLU 66 N 4.18 1.07 -0.00 4.34 1.02 -1.26 -4.66 120.64 125.33 1ap4 n GLU 66 Ca 0.12 -0.90 0.09 0.00 -0.02 0.00 0.00 57.16 56.45 1ap4 n GLU 66 Cb 0.42 -0.87 -0.11 0.00 -0.02 0.00 0.00 31.44 30.86 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ap4 n ASP 67 N -0.23 0.87 -2.54 1.62 8.00 -1.26 -4.98 116.55 118.03 1ap4 n ASP 67 Ca 0.00 -0.88 -0.16 0.00 0.71 0.00 0.00 54.79 54.46 1ap4 n ASP 67 Cb 0.22 1.07 0.05 0.00 -0.02 0.00 0.00 41.12 42.44 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 1.44 -0.04 0.09 0.44 0.00 -1.26 -4.93 105.19 100.93 1ap4 n GLY 68 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.48 2.52 0.00 1.61 3.41 -1.26 -5.01 113.62 113.40 1ap4 n SER 69 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1ap4 n SER 69 Cb 0.54 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.60 2.30 3.74 5.00 0.00 -1.26 -5.07 105.19 112.50 1ap4 n GLY 70 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.42 4.08 -0.15 2.61 -4.23 -1.26 -4.25 115.64 110.03 1ap4 s THR 71 Ca 0.00 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1ap4 s THR 71 Cb 0.00 -3.11 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1ap4 s THR 71 CO 0.00 -0.18 0.21 -0.69 -0.54 0.00 0.00 174.62 173.43 1ap4 s VAL 72 N -1.87 5.36 0.00 2.29 1.01 -1.21 -4.90 120.40 121.08 1ap4 s VAL 72 Ca 0.30 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1ap4 s VAL 72 Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ap4 s VAL 72 CO 0.21 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 175.12 1ap4 n ASP 73 N 3.06 0.00 -0.01 3.32 -0.08 -1.26 -1.60 116.55 119.98 1ap4 n ASP 73 Ca -0.15 -0.88 -0.10 0.00 -1.51 0.00 0.00 54.79 52.14 1ap4 n ASP 73 Cb 0.53 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.02 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 -0.08 0.76 -0.14 -0.67 3.57 -1.98 0.18 116.94 118.57 1ap4 h PHE 74 Ca 0.00 -0.27 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 1ap4 h PHE 74 Cb 0.00 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1ap4 h PHE 74 CO 0.00 1.02 -0.38 0.22 -2.23 0.00 0.00 178.31 176.94 1ap4 h ASP 75 N 0.46 0.57 -0.06 0.41 3.58 -2.01 -3.16 116.42 116.22 1ap4 h ASP 75 Ca 0.01 -0.59 -0.06 0.00 0.42 0.00 0.00 57.03 56.82 1ap4 h ASP 75 Cb 1.11 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1ap4 h ASP 75 CO 0.11 1.06 -0.18 -0.33 -2.88 0.00 0.00 179.24 177.02 1ap4 h GLU 76 N 0.12 0.22 -0.87 0.28 5.08 -1.91 -3.13 114.58 114.36 1ap4 h GLU 76 Ca -0.01 -0.16 0.21 0.00 -1.00 0.00 0.00 59.36 58.40 1ap4 h GLU 76 Cb 0.99 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.11 1ap4 h GLU 76 CO 0.08 0.79 -0.04 0.35 -1.00 0.00 0.00 179.01 179.19 1ap4 h PHE 77 N -0.31 -0.15 0.15 4.33 3.57 -0.73 -0.24 116.94 123.57 1ap4 h PHE 77 Ca -0.01 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ap4 h PHE 77 Cb 0.81 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1ap4 h PHE 77 CO 0.13 -0.34 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.73 1ap4 h LEU 78 N 0.05 -0.17 -0.83 0.59 3.38 -1.58 -2.86 115.31 113.89 1ap4 h LEU 78 Ca 0.48 -0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.52 1ap4 h LEU 78 Cb 0.88 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1ap4 h LEU 78 CO -0.82 0.03 0.25 0.58 0.09 0.00 0.00 178.44 178.58 1ap4 h VAL 79 N -0.37 0.43 -0.80 1.22 2.07 -1.02 0.46 116.25 118.24 1ap4 h VAL 79 Ca -0.02 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.52 1ap4 h VAL 79 Cb 0.29 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 1ap4 h VAL 79 CO 0.03 0.05 0.42 0.24 0.02 0.00 0.00 177.57 178.33 1ap4 h MET 80 N 0.28 0.65 0.50 1.57 2.86 -1.11 0.48 114.93 120.15 1ap4 h MET 80 Ca 0.50 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.08 1ap4 h MET 80 Cb 0.94 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1ap4 h MET 80 CO -0.57 0.43 -0.24 0.52 1.06 0.00 0.00 176.91 178.11 1ap4 h MET 81 N 0.67 -0.64 -0.33 1.72 2.07 0.00 -2.34 114.93 116.07 1ap4 h MET 81 Ca 0.40 0.04 0.10 0.00 -2.07 0.00 0.00 59.70 58.17 1ap4 h MET 81 Cb 0.47 0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 1ap4 h MET 81 CO -0.30 -0.43 0.40 -0.24 1.07 0.00 0.00 176.91 177.41 1ap4 h VAL 82 N -0.75 0.35 0.00 -2.22 3.04 -1.10 0.23 116.25 115.81 1ap4 h VAL 82 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1ap4 h VAL 82 Cb 0.51 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ap4 h VAL 82 CO 0.11 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.21 1ap4 n ARG 83 N -3.64 0.00 0.00 4.17 1.74 0.17 -3.15 116.66 115.95 1ap4 n ARG 83 Ca 0.05 0.45 0.07 0.00 -0.77 0.00 0.00 57.85 57.65 1ap4 n ARG 83 Cb 0.55 -1.29 0.34 0.00 -1.02 0.00 0.00 32.46 31.04 1ap4 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ap4 h MET 85 N 0.00 -0.27 0.00 0.00 2.86 -0.49 -3.50 114.93 113.53 1ap4 h MET 85 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ap4 h MET 85 Cb 0.15 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1ap4 h MET 85 CO 0.00 -0.18 0.00 1.17 1.06 0.00 0.00 176.91 178.96 1ap4 n LYS 86 N -2.95 0.00 0.07 1.72 4.81 -1.21 -5.08 118.16 115.52 1ap4 n LYS 86 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1ap4 n LYS 86 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ap4 n ASP 87 N 0.00 -1.34 -0.41 3.14 -0.08 -1.26 -4.79 116.55 111.81 1ap4 n ASP 87 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1ap4 n ASP 87 Cb 0.00 1.52 0.00 0.00 2.34 0.00 0.00 41.12 44.98 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ap4 n ASP 88 N -2.90 -2.92 0.00 1.67 9.92 -1.26 -5.25 116.55 115.81 1ap4 n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ap4 n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09