#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 s ASP 2 N 0.00 4.20 0.00 6.12 2.15 -1.26 -5.05 116.67 122.83 1ap4 s ASP 2 Ca 0.00 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.69 1ap4 s ASP 2 Cb 0.00 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.19 1ap4 s ASP 2 CO 0.00 -0.20 0.00 -0.90 -0.17 0.00 0.00 175.17 173.90 1ap4 n ASP 3 N 4.52 0.00 0.02 -0.34 5.75 -1.26 -5.11 116.55 120.12 1ap4 n ASP 3 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1ap4 n ASP 3 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1ap4 n ILE 4 N 0.00 0.00 -0.06 2.12 5.41 -1.26 -4.80 119.36 120.77 1ap4 n ILE 4 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1ap4 n ILE 4 Cb 0.00 -0.05 -0.01 0.00 -0.71 0.00 0.00 39.64 38.87 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 -0.19 -0.90 1.39 0.05 -1.99 0.20 116.97 115.53 1ap4 h TYR 5 Ca 0.00 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.97 1ap4 h TYR 5 Cb 0.00 0.12 -0.10 0.00 1.01 0.00 0.00 36.73 37.77 1ap4 h TYR 5 CO 0.00 -0.14 0.49 1.57 -1.05 0.00 0.00 178.16 179.03 1ap4 h LYS 6 N -0.03 0.65 -0.13 4.88 2.10 -1.94 -1.39 116.57 120.71 1ap4 h LYS 6 Ca 0.13 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.66 1ap4 h LYS 6 Cb 0.23 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1ap4 h LYS 6 CO -0.28 0.43 -0.24 0.00 -2.00 0.00 0.00 179.45 177.36 1ap4 h ALA 7 N 1.59 0.20 -1.08 0.07 0.00 -1.52 -3.09 119.26 115.44 1ap4 h ALA 7 Ca 0.50 -0.39 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1ap4 h ALA 7 Cb 0.73 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 1ap4 h ALA 7 CO -0.37 0.18 0.68 0.00 0.00 0.00 0.00 179.25 179.73 1ap4 h ALA 8 N 0.54 2.22 0.16 0.00 0.00 0.43 0.11 119.26 122.72 1ap4 h ALA 8 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ap4 h ALA 8 Cb 0.83 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ap4 h ALA 8 CO 0.05 -0.71 -0.08 0.28 0.00 0.00 0.00 179.25 178.80 1ap4 h VAL 9 N 0.35 0.91 0.00 0.00 2.07 -1.35 -1.84 116.25 116.39 1ap4 h VAL 9 Ca 0.67 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1ap4 h VAL 9 Cb 1.69 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1ap4 h VAL 9 CO -0.39 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 176.65 1ap4 n GLU 10 N -5.12 0.04 0.00 1.57 4.71 0.20 -1.88 120.64 120.15 1ap4 n GLU 10 Ca -0.09 0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.46 1ap4 n GLU 10 Cb 0.16 -1.50 0.66 0.00 -1.01 0.00 0.00 31.44 29.75 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ap4 n GLN 11 N -1.46 0.39 -1.64 3.49 6.02 -0.03 -4.85 117.38 119.30 1ap4 n GLN 11 Ca 0.04 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 1ap4 n GLN 11 Cb 0.14 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.95 1ap4 n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ap4 s LEU 12 N -2.65 3.21 0.42 1.08 1.43 -0.79 -4.97 118.68 116.42 1ap4 s LEU 12 Ca 0.25 1.71 -0.26 0.00 -1.03 0.00 0.00 54.13 54.79 1ap4 s LEU 12 Cb 0.20 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.81 1ap4 s LEU 12 CO 0.49 -1.47 1.46 0.42 0.23 0.00 0.00 176.35 177.47 1ap4 s THR 13 N -2.86 2.05 0.37 5.49 -4.23 -1.26 -4.87 115.64 110.33 1ap4 s THR 13 Ca 0.60 0.04 0.09 0.00 -1.18 0.00 0.00 61.69 61.25 1ap4 s THR 13 Cb -0.15 -3.03 0.32 0.00 1.34 0.00 0.00 72.50 70.98 1ap4 s THR 13 CO 0.50 0.01 1.90 -0.08 -0.54 0.00 0.00 174.62 176.41 1ap4 h GLU 14 N 2.60 0.64 0.00 3.99 4.57 -1.93 0.56 114.58 125.00 1ap4 h GLU 14 Ca -0.51 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 57.54 1ap4 h GLU 14 Cb 1.26 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1ap4 h GLU 14 CO 0.62 0.42 -0.45 1.05 -1.18 0.00 0.00 179.01 179.48 1ap4 h GLU 15 N 0.66 0.00 0.38 1.92 4.11 -1.99 -2.69 114.58 116.97 1ap4 h GLU 15 Ca 0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.82 1ap4 h GLU 15 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1ap4 h GLU 15 CO -0.17 0.45 -0.18 0.37 0.07 0.00 0.00 179.01 179.55 1ap4 h GLN 16 N 0.00 -0.50 -0.77 1.06 4.15 -1.23 -1.33 115.11 116.50 1ap4 h GLN 16 Ca -0.00 0.03 0.21 0.00 0.77 0.00 0.00 58.65 59.66 1ap4 h GLN 16 Cb 0.83 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.60 1ap4 h GLN 16 CO 0.06 -0.33 0.54 0.87 -1.93 0.00 0.00 178.83 178.04 1ap4 h LYS 17 N -0.60 0.08 -0.26 1.69 1.57 -1.60 0.30 116.57 117.75 1ap4 h LYS 17 Ca -0.05 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1ap4 h LYS 17 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ap4 h LYS 17 CO 0.09 0.05 -0.28 -0.91 -0.57 0.00 0.00 179.45 177.83 1ap4 h ASN 18 N 0.08 0.52 1.01 0.86 2.35 -1.26 -0.77 115.58 118.36 1ap4 h ASN 18 Ca 0.37 -0.19 -0.20 0.00 -0.55 0.00 0.00 56.30 55.74 1ap4 h ASN 18 Cb 1.35 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1ap4 h ASN 18 CO -0.03 0.78 -1.03 -0.08 -1.65 0.00 0.00 177.43 175.41 1ap4 h GLU 19 N 0.44 0.00 0.01 0.81 4.81 0.70 -3.30 114.58 118.05 1ap4 h GLU 19 Ca 0.06 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.09 1ap4 h GLU 19 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ap4 h GLU 19 CO 0.06 0.76 -0.90 0.74 -0.73 0.00 0.00 179.01 178.93 1ap4 h PHE 20 N 0.00 0.29 -0.06 0.92 -1.00 -0.86 -3.30 116.94 112.93 1ap4 h PHE 20 Ca -0.06 -0.17 0.04 0.00 2.81 0.00 0.00 57.97 60.59 1ap4 h PHE 20 Cb 1.71 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 41.18 1ap4 h PHE 20 CO 0.00 0.99 -0.35 -0.22 -1.61 0.00 0.00 178.31 177.13 1ap4 h LYS 21 N 0.10 -0.45 -1.04 1.51 3.64 -1.22 0.14 116.57 119.26 1ap4 h LYS 21 Ca -0.05 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.64 1ap4 h LYS 21 Cb 1.55 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.39 1ap4 h LYS 21 CO 0.14 -0.30 0.69 0.00 -2.27 0.00 0.00 179.45 177.71 1ap4 h ALA 22 N 0.25 2.46 -0.18 5.00 0.00 -1.70 0.24 119.26 125.33 1ap4 h ALA 22 Ca 0.07 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1ap4 h ALA 22 Cb 0.58 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ap4 h ALA 22 CO -0.32 -0.82 -0.72 0.00 0.00 0.00 0.00 179.25 177.39 1ap4 h ALA 23 N 1.57 0.38 -0.65 0.00 0.00 -0.91 -3.20 119.26 116.45 1ap4 h ALA 23 Ca 0.56 -0.58 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1ap4 h ALA 23 Cb 1.63 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 1ap4 h ALA 23 CO -0.20 0.69 0.21 0.35 0.00 0.00 0.00 179.25 180.31 1ap4 h PHE 24 N 0.54 0.36 0.00 0.00 3.04 0.12 0.59 116.94 121.60 1ap4 h PHE 24 Ca -0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ap4 h PHE 24 Cb 1.34 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.79 1ap4 h PHE 24 CO 0.08 0.04 0.00 -0.25 -2.02 0.00 0.00 178.31 176.16 1ap4 n ASP 25 N -5.04 0.33 0.05 0.41 8.00 -1.08 -1.60 116.55 117.61 1ap4 n ASP 25 Ca 0.10 0.63 0.02 0.00 0.71 0.00 0.00 54.79 56.25 1ap4 n ASP 25 Cb 0.33 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 1ap4 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ap4 h ILE 26 N 0.00 0.46 0.00 0.53 2.04 0.13 -3.32 117.51 117.35 1ap4 h ILE 26 Ca 0.00 -1.87 -0.22 0.00 1.00 0.00 0.00 64.86 63.77 1ap4 h ILE 26 Cb 0.11 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1ap4 h ILE 26 CO 0.00 0.26 -1.36 -0.26 0.00 0.00 0.00 178.15 176.79 1ap4 h PHE 27 N 0.00 0.00 -0.04 1.37 0.04 -1.02 -3.27 116.94 114.02 1ap4 h PHE 27 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1ap4 h PHE 27 Cb 1.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.63 1ap4 h PHE 27 CO 0.00 0.81 0.00 1.33 -0.60 0.00 0.00 178.31 179.85 1ap4 n VAL 28 N -3.06 0.05 -0.10 -0.55 0.24 -1.02 -3.91 118.33 109.97 1ap4 n VAL 28 Ca -0.10 -0.08 0.15 0.00 -2.04 0.00 0.00 64.34 62.27 1ap4 n VAL 28 Cb 0.93 -0.13 0.54 0.00 -1.47 0.00 0.00 33.84 33.71 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 0.50 0.30 -3.35 1.34 5.85 -1.66 0.94 115.31 119.24 1ap4 h LEU 29 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ap4 h LEU 29 Cb 0.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ap4 h LEU 29 CO 0.00 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 1ap4 n GLY 30 N -1.54 3.63 3.93 3.75 0.00 -1.25 -4.99 105.19 108.71 1ap4 n GLY 30 Ca 0.12 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.75 3.55 -0.14 4.61 0.00 0.32 -5.00 121.76 122.35 1ap4 s ALA 31 Ca 0.46 -0.75 0.22 0.00 0.00 0.00 0.00 51.96 51.89 1ap4 s ALA 31 Cb 0.36 -2.35 -0.15 0.00 0.00 0.00 0.00 23.12 20.98 1ap4 s ALA 31 CO 0.12 -0.28 0.77 -0.85 0.00 0.00 0.00 175.76 175.52 1ap4 n GLU 32 N -2.10 0.63 -2.58 0.00 -0.00 -1.26 -4.40 120.64 110.93 1ap4 n GLU 32 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.02 1ap4 n GLU 32 Cb 0.56 -1.70 0.03 0.00 -0.00 0.00 0.00 31.44 30.33 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 -2.54 2.63 -3.49 -1.84 5.75 -1.26 -4.94 116.55 110.87 1ap4 n ASP 33 Ca -0.03 -2.91 -0.25 0.00 -0.01 0.00 0.00 54.79 51.59 1ap4 n ASP 33 Cb 0.60 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.20 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 -0.35 -0.48 3.64 6.12 0.00 -1.26 -4.93 105.19 107.93 1ap4 n GLY 34 Ca 0.20 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.99 3.53 -0.66 0.00 5.41 0.95 -4.31 119.36 123.29 1ap4 n ILE 36 Ca -0.04 -5.51 -0.32 0.00 1.00 0.00 0.00 62.75 57.89 1ap4 n ILE 36 Cb 0.63 -2.07 0.18 0.00 -0.71 0.00 0.00 39.64 37.67 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ap4 n SER 37 N 0.97 -1.99 0.19 4.38 7.64 -1.26 -2.95 113.62 120.60 1ap4 n SER 37 Ca 0.29 0.02 0.18 0.00 1.01 0.00 0.00 58.87 60.36 1ap4 n SER 37 Cb 0.38 -1.11 0.76 0.00 -1.01 0.00 0.00 64.21 63.22 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ap4 h THR 38 N -2.06 0.21 -0.68 0.44 1.03 -1.95 0.03 112.91 109.93 1ap4 h THR 38 Ca -0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.86 1ap4 h THR 38 Cb 1.33 0.64 -0.03 0.00 -1.07 0.00 0.00 68.15 69.01 1ap4 h THR 38 CO 0.40 0.00 0.36 0.11 -0.01 0.00 0.00 175.52 176.38 1ap4 h LYS 39 N 0.00 0.96 -1.55 0.00 1.57 -1.94 -2.80 116.57 112.81 1ap4 h LYS 39 Ca 0.12 -0.12 -0.73 0.00 -1.87 0.00 0.00 60.65 58.05 1ap4 h LYS 39 Cb 0.95 -0.18 -0.28 0.00 0.08 0.00 0.00 32.23 32.80 1ap4 h LYS 39 CO -0.00 0.73 0.98 0.39 -0.57 0.00 0.00 179.45 180.98 1ap4 n GLU 40 N -4.49 2.72 0.05 3.15 1.02 -0.00 -4.51 120.64 118.58 1ap4 n GLU 40 Ca 0.05 -3.41 0.00 0.00 -0.02 0.00 0.00 57.16 53.79 1ap4 n GLU 40 Cb 0.10 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ap4 n LEU 41 N -0.71 1.03 -0.07 -4.62 -0.00 -1.06 -4.42 117.00 107.16 1ap4 n LEU 41 Ca 0.58 0.14 -0.13 0.00 -0.00 0.00 0.00 56.01 56.60 1ap4 n LEU 41 Cb 0.43 -0.30 -0.09 0.00 -0.00 0.00 0.00 43.42 43.46 1ap4 n LEU 41 CO 0.64 -0.73 0.50 1.23 -0.00 0.00 0.00 177.39 179.04 1ap4 h GLY 42 N 0.00 -1.13 1.18 -3.96 0.00 -1.79 0.97 103.07 98.34 1ap4 h GLY 42 Ca 0.00 0.71 0.12 0.00 0.00 0.00 0.00 47.33 48.16 1ap4 h GLY 42 CO 0.00 -0.21 0.29 0.50 0.00 0.00 0.00 176.54 177.12 1ap4 h LYS 43 N -0.44 0.00 -0.01 4.80 1.57 -1.88 -1.85 116.57 118.76 1ap4 h LYS 43 Ca 0.05 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 43 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ap4 h LYS 43 CO -0.46 0.00 -0.17 0.28 -0.57 0.00 0.00 179.45 178.53 1ap4 h VAL 44 N 0.00 1.53 0.00 0.50 2.07 -0.41 -3.05 116.25 116.89 1ap4 h VAL 44 Ca 0.19 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1ap4 h VAL 44 Cb 0.78 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1ap4 h VAL 44 CO -0.00 0.49 0.00 0.23 0.02 0.00 0.00 177.57 178.31 1ap4 n MET 45 N -4.58 0.15 0.05 1.57 2.81 0.29 -1.49 117.12 115.92 1ap4 n MET 45 Ca -0.09 0.59 -0.21 0.00 -1.81 0.00 0.00 57.70 56.17 1ap4 n MET 45 Cb 0.44 -1.93 -0.15 0.00 -0.71 0.00 0.00 33.22 30.88 1ap4 n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ap4 h ARG 46 N 0.00 0.32 0.00 0.03 3.08 -1.27 0.39 114.38 116.93 1ap4 h ARG 46 Ca 0.00 -0.55 -0.10 0.00 0.07 0.00 0.00 59.98 59.40 1ap4 h ARG 46 Cb 0.07 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1ap4 h ARG 46 CO 0.00 1.27 -0.45 0.00 -1.07 0.00 0.00 179.97 179.71 1ap4 h MET 47 N -0.25 0.00 -0.08 0.04 -0.00 -1.34 -3.24 114.93 110.06 1ap4 h MET 47 Ca -0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.34 1ap4 h MET 47 Cb 1.78 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.37 1ap4 h MET 47 CO 0.14 0.45 -0.60 -0.07 -0.00 0.00 0.00 176.91 176.84 1ap4 h LEU 48 N 0.00 0.30 0.00 -0.10 3.38 -1.38 -3.47 115.31 114.04 1ap4 h LEU 48 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ap4 h LEU 48 Cb 1.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ap4 h LEU 48 CO 0.06 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1ap4 n GLY 49 N 0.26 1.50 3.77 0.83 0.00 -1.20 -5.10 105.19 105.26 1ap4 n GLY 49 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 2.19 -0.41 1.61 -1.52 0.13 -5.03 119.66 116.63 1ap4 s GLN 50 Ca 0.00 -2.09 0.09 0.00 -1.95 0.00 0.00 55.36 51.41 1ap4 s GLN 50 Cb 0.00 -1.83 0.32 0.00 -0.22 0.00 0.00 33.01 31.28 1ap4 s GLN 50 CO 0.00 -0.31 0.86 0.09 -0.25 0.00 0.00 175.29 175.68 1ap4 n ASN 51 N -1.35 -0.68 -4.78 5.90 3.02 -1.26 -4.14 115.26 111.98 1ap4 n ASN 51 Ca -0.07 -3.25 -0.29 0.00 -0.03 0.00 0.00 54.58 50.94 1ap4 n ASN 51 Cb 0.66 0.49 0.13 0.00 -0.61 0.00 0.00 39.78 40.44 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 -1.08 1.35 0.44 3.52 0.04 -1.26 -5.06 135.00 132.94 1ap4 s PRO 52 Ca 0.32 0.42 0.04 0.00 0.04 0.00 0.00 61.00 61.83 1ap4 s PRO 52 Cb 0.30 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.99 1ap4 s PRO 52 CO -0.09 -2.08 0.62 0.95 0.04 0.00 0.00 177.00 176.44 1ap4 s THR 53 N -3.21 3.49 0.18 1.26 -4.23 -1.26 -4.99 115.64 106.89 1ap4 s THR 53 Ca 0.63 -0.78 0.26 0.00 -1.18 0.00 0.00 61.69 60.62 1ap4 s THR 53 Cb -0.15 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.71 1ap4 s THR 53 CO 0.54 -0.13 1.89 1.55 -0.54 0.00 0.00 174.62 177.93 1ap4 h PRO 54 N 0.51 0.00 0.18 3.99 0.13 -2.01 -2.48 132.00 132.32 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 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.52 0.18 -1.55 0.93 -0.23 0.00 0.00 178.00 177.85 1ap4 h GLU 55 N 0.00 0.38 0.00 0.86 5.08 -2.03 -3.33 114.58 115.54 1ap4 h GLU 55 Ca -0.00 -0.65 -0.08 0.00 -1.00 0.00 0.00 59.36 57.62 1ap4 h GLU 55 Cb 0.65 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1ap4 h GLU 55 CO 0.02 1.31 -0.39 0.93 -1.00 0.00 0.00 179.01 179.88 1ap4 h GLU 56 N -0.02 0.00 -0.15 2.33 5.08 -1.94 -2.88 114.58 117.00 1ap4 h GLU 56 Ca -0.30 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1ap4 h GLU 56 Cb 2.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1ap4 h GLU 56 CO 0.17 0.39 -0.11 1.25 -1.00 0.00 0.00 179.01 179.71 1ap4 h LEU 57 N 0.00 -0.40 -1.02 1.33 5.85 -1.56 0.52 115.31 120.02 1ap4 h LEU 57 Ca -0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1ap4 h LEU 57 Cb 0.71 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1ap4 h LEU 57 CO 0.05 -0.06 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.19 1ap4 h GLN 58 N -0.03 0.00 -0.58 1.25 5.75 -1.77 -2.73 115.11 117.00 1ap4 h GLN 58 Ca 0.02 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1ap4 h GLN 58 Cb 0.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1ap4 h GLN 58 CO -0.16 0.29 0.17 1.49 -2.65 0.00 0.00 178.83 177.97 1ap4 h GLU 59 N 0.00 0.92 0.06 1.69 4.57 -0.75 0.11 114.58 121.18 1ap4 h GLU 59 Ca -0.00 -0.21 -0.25 0.00 -1.18 0.00 0.00 59.36 57.72 1ap4 h GLU 59 Cb 0.82 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1ap4 h GLU 59 CO 0.04 0.83 -1.08 0.52 -1.18 0.00 0.00 179.01 178.14 1ap4 h MET 60 N 0.83 0.40 -0.35 1.92 2.86 -0.01 -2.83 114.93 117.75 1ap4 h MET 60 Ca 0.19 -0.51 -0.15 0.00 -2.06 0.00 0.00 59.70 57.16 1ap4 h MET 60 Cb 0.31 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ap4 h MET 60 CO -0.00 1.18 -0.38 0.82 1.06 0.00 0.00 176.91 179.59 1ap4 h ILE 61 N 0.19 1.28 -0.13 -1.22 2.04 -1.36 -2.05 117.51 116.25 1ap4 h ILE 61 Ca -0.11 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.08 1ap4 h ILE 61 Cb 1.75 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1ap4 h ILE 61 CO 0.19 0.52 -0.37 -0.78 0.00 0.00 0.00 178.15 177.70 1ap4 h ASP 62 N 0.67 0.29 1.89 1.72 1.82 -0.84 0.19 116.42 122.16 1ap4 h ASP 62 Ca 0.05 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1ap4 h ASP 62 Cb 0.98 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.90 1ap4 h ASP 62 CO 0.09 0.65 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.96 1ap4 h GLU 63 N 0.24 0.00 0.00 0.28 4.39 -1.42 -3.25 114.58 114.82 1ap4 h GLU 63 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ap4 h GLU 63 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1ap4 h GLU 63 CO 0.06 0.08 -1.47 1.55 -1.16 0.00 0.00 179.01 178.07 1ap4 n VAL 64 N -3.12 0.00 -1.73 3.13 3.14 -0.78 -4.85 118.33 114.12 1ap4 n VAL 64 Ca 0.04 -0.27 -0.30 0.00 -2.96 0.00 0.00 64.34 60.85 1ap4 n VAL 64 Cb 0.55 0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 33.77 1ap4 n VAL 64 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ap4 s ASP 65 N -3.66 4.57 0.42 6.55 2.15 0.64 -4.75 116.67 122.58 1ap4 s ASP 65 Ca -0.01 0.43 0.30 0.00 0.43 0.00 0.00 52.55 53.70 1ap4 s ASP 65 Cb 0.14 -2.53 1.43 0.00 -0.30 0.00 0.00 42.92 41.66 1ap4 s ASP 65 CO 0.83 -3.01 1.89 1.05 -0.17 0.00 0.00 175.17 175.77 1ap4 h GLU 66 N 15.82 0.00 0.00 4.34 4.11 -1.89 -2.36 114.58 134.61 1ap4 h GLU 66 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1ap4 h GLU 66 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ap4 h GLU 66 CO 1.14 0.00 -0.76 -0.40 0.07 0.00 0.00 179.01 179.06 1ap4 n ASP 67 N -2.59 1.11 -3.65 3.06 5.68 -1.26 -5.00 116.55 113.90 1ap4 n ASP 67 Ca -0.00 -0.52 -0.24 0.00 -0.50 0.00 0.00 54.79 53.53 1ap4 n ASP 67 Cb 0.15 1.14 0.07 0.00 -1.14 0.00 0.00 41.12 41.34 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 1.44 -0.50 0.12 6.12 0.00 -0.89 -4.89 105.19 106.58 1ap4 n GLY 68 Ca 0.01 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1ap4 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ap4 h SER 69 N -2.42 0.46 0.00 1.61 4.64 -1.95 -3.48 113.55 112.41 1ap4 h SER 69 Ca -0.58 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.15 1ap4 h SER 69 Cb 1.37 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ap4 h SER 69 CO 0.58 1.48 0.00 0.61 -0.87 0.00 0.00 176.83 178.63 1ap4 n GLY 70 N 1.66 2.08 3.48 -0.77 0.00 -1.26 -5.10 105.19 105.28 1ap4 n GLY 70 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.05 2.83 -0.23 2.61 -4.23 -1.26 -4.25 115.64 109.06 1ap4 s THR 71 Ca 0.00 -1.43 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1ap4 s THR 71 Cb 0.00 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1ap4 s THR 71 CO 0.00 0.16 0.52 -0.69 -0.54 0.00 0.00 174.62 174.07 1ap4 s VAL 72 N -1.09 5.08 0.57 2.29 1.01 -1.15 -4.86 120.40 122.25 1ap4 s VAL 72 Ca 0.17 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1ap4 s VAL 72 Cb -0.11 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1ap4 s VAL 72 CO 0.09 0.12 0.82 -0.62 0.00 0.00 0.00 175.10 175.51 1ap4 s ASP 73 N 1.36 5.32 0.25 3.32 2.15 -1.26 -0.03 116.67 127.77 1ap4 s ASP 73 Ca 0.23 0.21 -0.03 0.00 0.43 0.00 0.00 52.55 53.39 1ap4 s ASP 73 Cb -0.15 -1.13 0.48 0.00 -0.30 0.00 0.00 42.92 41.81 1ap4 s ASP 73 CO 0.09 -1.15 1.76 0.15 -0.17 0.00 0.00 175.17 175.85 1ap4 h PHE 74 N -0.03 0.67 -0.11 -5.34 3.57 -1.97 1.56 116.94 115.29 1ap4 h PHE 74 Ca -0.44 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 74 Cb 1.29 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ap4 h PHE 74 CO 0.39 0.16 -0.04 -0.44 -2.23 0.00 0.00 178.31 176.15 1ap4 h ASP 75 N 0.57 0.22 0.08 0.41 5.19 -2.02 -3.16 116.42 117.71 1ap4 h ASP 75 Ca 0.43 -0.39 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 1ap4 h ASP 75 Cb 0.59 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1ap4 h ASP 75 CO -0.36 0.56 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.43 1ap4 h GLU 76 N -0.12 0.51 -0.83 3.56 5.08 -1.75 -3.16 114.58 117.87 1ap4 h GLU 76 Ca 0.03 -0.33 0.18 0.00 -1.00 0.00 0.00 59.36 58.24 1ap4 h GLU 76 Cb 0.47 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1ap4 h GLU 76 CO 0.01 0.94 0.32 0.35 -1.00 0.00 0.00 179.01 179.63 1ap4 h PHE 77 N 0.38 0.53 -0.03 4.33 3.57 0.22 -1.70 116.94 124.25 1ap4 h PHE 77 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ap4 h PHE 77 Cb 1.11 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1ap4 h PHE 77 CO 0.04 -0.02 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.02 1ap4 h LEU 78 N 0.39 0.08 -1.76 0.59 3.38 -1.52 -2.88 115.31 113.59 1ap4 h LEU 78 Ca 0.49 -0.44 0.26 0.00 0.09 0.00 0.00 57.88 58.28 1ap4 h LEU 78 Cb 0.85 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ap4 h LEU 78 CO -0.49 0.50 0.82 0.58 0.09 0.00 0.00 178.44 179.94 1ap4 h VAL 79 N -0.35 0.27 0.13 1.22 2.07 -1.32 0.48 116.25 118.76 1ap4 h VAL 79 Ca 0.01 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.24 1ap4 h VAL 79 Cb 0.47 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ap4 h VAL 79 CO 0.01 0.00 -1.25 -0.03 0.02 0.00 0.00 177.57 176.31 1ap4 h MET 80 N 0.00 0.49 0.05 1.57 4.05 -1.24 -3.23 114.93 116.62 1ap4 h MET 80 Ca 0.43 -0.71 -0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1ap4 h MET 80 Cb 2.06 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 33.11 1ap4 h MET 80 CO -0.00 1.32 -0.03 0.52 0.23 0.00 0.00 176.91 178.95 1ap4 h MET 81 N 0.19 -0.07 -0.31 0.39 2.07 0.00 -2.72 114.93 114.49 1ap4 h MET 81 Ca -0.17 0.00 0.09 0.00 -2.07 0.00 0.00 59.70 57.55 1ap4 h MET 81 Cb 1.94 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.67 1ap4 h MET 81 CO 0.23 0.34 0.48 -0.24 1.07 0.00 0.00 176.91 178.79 1ap4 h VAL 82 N -0.49 0.21 0.12 -2.22 3.04 -1.42 0.41 116.25 115.91 1ap4 h VAL 82 Ca -0.01 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.49 1ap4 h VAL 82 Cb 0.44 0.58 0.02 0.00 -2.01 0.00 0.00 31.29 30.32 1ap4 h VAL 82 CO 0.01 0.00 -0.82 0.03 -1.01 0.00 0.00 177.57 175.78 1ap4 h ARG 83 N 0.00 0.34 -0.78 4.17 3.08 -1.50 -3.26 114.38 116.43 1ap4 h ARG 83 Ca 0.15 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ap4 h ARG 83 Cb 1.11 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ap4 h ARG 83 CO -0.00 1.23 0.00 0.00 -1.07 0.00 0.00 179.97 180.13 1ap4 n MET 85 N 0.24 0.35 -3.54 0.00 2.81 -0.62 -5.01 117.12 111.35 1ap4 n MET 85 Ca 0.10 0.34 -0.24 0.00 -1.81 0.00 0.00 57.70 56.09 1ap4 n MET 85 Cb 0.55 -1.34 0.05 0.00 -0.71 0.00 0.00 33.22 31.77 1ap4 n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ap4 n LYS 86 N -3.97 -2.15 0.00 0.03 4.76 -1.26 -4.28 118.16 111.29 1ap4 n LYS 86 Ca -0.07 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1ap4 n LYS 86 Cb 0.26 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.60 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ap4 n ASP 87 N -2.92 0.00 0.00 4.39 9.92 -1.26 -4.09 116.55 122.59 1ap4 n ASP 87 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1ap4 n ASP 87 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ap4 n ASP 88 N 2.19 0.00 -0.52 -2.24 5.75 -1.26 -5.23 116.55 115.23 1ap4 n ASP 88 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 1ap4 n ASP 88 Cb 0.00 0.10 0.05 0.00 -1.03 0.00 0.00 41.12 40.24 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55