#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 -1.84 0.00 6.12 8.00 -1.26 -5.13 116.55 122.44 1ap4 n ASP 2 Ca 0.00 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1ap4 n ASP 2 Cb 0.00 1.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.60 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ap4 n ASP 3 N 0.62 0.00 0.00 -2.24 9.92 -1.26 -4.88 116.55 118.71 1ap4 n ASP 3 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1ap4 n ASP 3 Cb 0.72 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.20 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ap4 n ILE 4 N 0.00 0.00 -0.20 0.53 5.41 -1.26 -3.91 119.36 119.93 1ap4 n ILE 4 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1ap4 n ILE 4 Cb 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.15 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 0.95 -1.03 1.39 0.05 -2.01 -2.00 116.97 114.33 1ap4 h TYR 5 Ca 0.00 -0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.03 1ap4 h TYR 5 Cb 0.00 -0.31 -0.10 0.00 1.01 0.00 0.00 36.73 37.33 1ap4 h TYR 5 CO 0.00 0.65 0.65 0.87 -1.05 0.00 0.00 178.16 179.28 1ap4 h LYS 6 N 0.98 0.45 -0.13 4.88 1.57 -1.90 0.30 116.57 122.72 1ap4 h LYS 6 Ca 0.25 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1ap4 h LYS 6 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ap4 h LYS 6 CO -0.04 0.30 -0.28 0.00 -0.57 0.00 0.00 179.45 178.85 1ap4 h ALA 7 N 1.65 0.21 -0.98 3.86 0.00 -1.70 -3.02 119.26 119.28 1ap4 h ALA 7 Ca 0.60 -0.40 0.22 0.00 0.00 0.00 0.00 54.91 55.34 1ap4 h ALA 7 Cb 1.40 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1ap4 h ALA 7 CO -0.34 0.22 0.63 0.00 0.00 0.00 0.00 179.25 179.76 1ap4 h ALA 8 N 0.54 2.07 0.00 0.00 0.00 -0.88 0.43 119.26 121.42 1ap4 h ALA 8 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1ap4 h ALA 8 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ap4 h ALA 8 CO 0.06 -0.43 -0.54 0.28 0.00 0.00 0.00 179.25 178.62 1ap4 h VAL 9 N 0.50 1.21 0.00 0.00 2.07 -1.38 -2.72 116.25 115.93 1ap4 h VAL 9 Ca 0.55 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1ap4 h VAL 9 Cb 1.23 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1ap4 h VAL 9 CO -0.28 0.53 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1ap4 n GLU 10 N -3.64 0.91 0.07 1.57 -0.58 0.15 -3.13 120.64 115.98 1ap4 n GLU 10 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ap4 n GLU 10 Cb 0.60 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ap4 h GLN 11 N 0.00 0.00 -6.22 3.49 1.08 -1.20 -3.46 115.11 108.80 1ap4 h GLN 11 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 1ap4 h GLN 11 Cb 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1ap4 h GLN 11 CO 0.00 0.42 0.89 1.28 -0.95 0.00 0.00 178.83 180.47 1ap4 n LEU 12 N -3.04 2.63 -4.38 1.46 4.77 -1.18 -4.90 117.00 112.35 1ap4 n LEU 12 Ca -0.05 1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 56.68 1ap4 n LEU 12 Cb 0.81 -1.23 0.21 0.00 -2.33 0.00 0.00 43.42 40.88 1ap4 n LEU 12 CO 0.42 -0.40 -0.02 0.35 -1.33 0.00 0.00 177.39 176.41 1ap4 n THR 13 N 4.41 0.00 -0.15 -5.08 -2.24 -1.26 -4.69 114.28 105.27 1ap4 n THR 13 Ca 0.24 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1ap4 n THR 13 Cb 0.19 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1ap4 n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ap4 h GLU 14 N -2.31 0.70 -0.78 -0.78 4.57 -1.98 -2.66 114.58 111.33 1ap4 h GLU 14 Ca -0.56 -0.18 0.09 0.00 -1.18 0.00 0.00 59.36 57.53 1ap4 h GLU 14 Cb 1.34 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 1ap4 h GLU 14 CO 0.43 0.72 0.51 1.05 -1.18 0.00 0.00 179.01 180.54 1ap4 h GLU 15 N 0.56 0.72 0.00 1.92 4.11 -1.98 -1.00 114.58 118.90 1ap4 h GLU 15 Ca 0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1ap4 h GLU 15 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ap4 h GLU 15 CO 0.00 0.47 0.00 0.94 0.07 0.00 0.00 179.01 180.50 1ap4 n GLN 16 N -4.50 0.00 -0.28 1.06 -0.06 -1.02 -2.36 117.38 110.22 1ap4 n GLN 16 Ca 0.13 0.43 0.06 0.00 -2.00 0.00 0.00 57.00 55.61 1ap4 n GLN 16 Cb 0.30 -1.32 0.16 0.00 -4.06 0.00 0.00 30.24 25.32 1ap4 n GLN 16 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1ap4 h LYS 17 N 0.00 0.06 -0.40 3.69 1.57 -1.47 1.72 116.57 121.72 1ap4 h LYS 17 Ca 0.00 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1ap4 h LYS 17 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1ap4 h LYS 17 CO 0.00 0.04 0.51 -0.91 -0.57 0.00 0.00 179.45 178.51 1ap4 h ASN 18 N 0.06 0.00 0.22 0.86 2.35 -1.19 0.15 115.58 118.02 1ap4 h ASN 18 Ca 0.43 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.83 1ap4 h ASN 18 Cb 0.76 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.14 1ap4 h ASN 18 CO -0.76 0.00 -1.72 -0.08 -1.65 0.00 0.00 177.43 173.22 1ap4 h GLU 19 N 0.00 0.40 -0.00 0.81 4.22 0.29 -3.32 114.58 116.98 1ap4 h GLU 19 Ca 0.19 -0.68 -0.02 0.00 0.08 0.00 0.00 59.36 58.94 1ap4 h GLU 19 Cb 1.21 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1ap4 h GLU 19 CO -0.00 1.32 -0.07 0.74 -2.18 0.00 0.00 179.01 178.81 1ap4 h PHE 20 N 0.11 0.00 0.47 0.92 -1.00 0.05 -3.04 116.94 114.45 1ap4 h PHE 20 Ca -0.33 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.43 1ap4 h PHE 20 Cb 2.10 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.65 1ap4 h PHE 20 CO 0.10 0.08 -0.40 -0.22 -1.61 0.00 0.00 178.31 176.26 1ap4 h LYS 21 N 0.00 -0.81 -0.87 1.51 3.64 -1.42 0.75 116.57 119.38 1ap4 h LYS 21 Ca 0.00 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.59 1ap4 h LYS 21 Cb 0.13 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1ap4 h LYS 21 CO 0.01 -0.54 0.45 0.00 -2.27 0.00 0.00 179.45 177.10 1ap4 h ALA 22 N -1.15 1.32 -0.02 5.00 0.00 -1.69 0.65 119.26 123.37 1ap4 h ALA 22 Ca -0.06 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1ap4 h ALA 22 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ap4 h ALA 22 CO -0.01 -0.10 -0.57 0.00 0.00 0.00 0.00 179.25 178.57 1ap4 h ALA 23 N 1.57 1.01 -0.74 0.00 0.00 -1.36 -3.11 119.26 116.63 1ap4 h ALA 23 Ca 0.48 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ap4 h ALA 23 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1ap4 h ALA 23 CO -0.37 0.71 0.47 0.35 0.00 0.00 0.00 179.25 180.41 1ap4 h PHE 24 N 0.05 0.88 0.00 0.00 3.57 0.29 -0.06 116.94 121.67 1ap4 h PHE 24 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ap4 h PHE 24 Cb 1.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1ap4 h PHE 24 CO 0.01 0.51 0.00 -0.25 -2.23 0.00 0.00 178.31 176.35 1ap4 n ASP 25 N -4.63 0.26 0.03 0.41 9.92 -1.05 -2.81 116.55 118.68 1ap4 n ASP 25 Ca 0.08 0.56 -0.11 0.00 -0.53 0.00 0.00 54.79 54.79 1ap4 n ASP 25 Cb 0.08 -0.61 -0.13 0.00 -0.64 0.00 0.00 41.12 39.81 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 1.21 0.00 0.53 2.04 -1.03 -3.29 117.51 116.97 1ap4 h ILE 26 Ca 0.00 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 62.91 1ap4 h ILE 26 Cb 0.33 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1ap4 h ILE 26 CO 0.00 0.75 -0.07 0.49 0.00 0.00 0.00 178.15 179.33 1ap4 n PHE 27 N -3.28 0.51 -0.62 1.37 3.72 -1.06 -3.25 117.46 114.85 1ap4 n PHE 27 Ca -0.12 0.15 0.09 0.00 -0.05 0.00 0.00 57.45 57.52 1ap4 n PHE 27 Cb 1.01 -0.72 0.31 0.00 -0.94 0.00 0.00 39.48 39.14 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 -1.93 1.80 0.16 -4.37 0.24 -1.21 -4.48 118.33 108.54 1ap4 n VAL 28 Ca 0.06 -1.29 0.09 0.00 -2.04 0.00 0.00 64.34 61.16 1ap4 n VAL 28 Cb 0.39 0.12 0.46 0.00 -1.47 0.00 0.00 33.84 33.34 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ap4 n LEU 29 N 0.74 0.45 0.00 1.34 4.77 -1.20 -1.43 117.00 121.67 1ap4 n LEU 29 Ca 0.23 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1ap4 n LEU 29 Cb 0.82 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ap4 n LEU 29 CO 0.20 -0.82 0.12 0.61 -1.33 0.00 0.00 177.39 176.17 1ap4 n GLY 30 N -1.21 -0.22 1.32 -0.72 0.00 -1.26 -5.05 105.19 98.05 1ap4 n GLY 30 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 -2.01 -0.00 4.61 0.00 -0.52 -5.00 120.51 117.12 1ap4 n ALA 31 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 1ap4 n ALA 31 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.43 2.21 -0.00 0.00 1.02 -1.26 -4.76 120.64 114.41 1ap4 n GLU 32 Ca 0.06 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1ap4 n GLU 32 Cb 0.24 -1.01 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 33 N -2.24 1.15 0.00 1.62 5.68 -1.26 -5.00 116.55 116.50 1ap4 n ASP 33 Ca -0.01 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.77 1ap4 n ASP 33 Cb 0.52 1.14 0.00 0.00 -1.14 0.00 0.00 41.12 41.64 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 1.44 0.77 3.53 6.12 0.00 -1.26 -5.15 105.19 110.64 1ap4 n GLY 34 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.85 3.73 -0.95 0.00 5.41 0.42 -4.07 119.36 123.05 1ap4 n ILE 36 Ca -0.06 -5.57 -0.37 0.00 1.00 0.00 0.00 62.75 57.75 1ap4 n ILE 36 Cb 0.66 -1.96 0.06 0.00 -0.71 0.00 0.00 39.64 37.69 1ap4 n ILE 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ap4 n SER 37 N 0.78 -3.54 -0.06 4.38 2.88 -1.26 -3.21 113.62 113.59 1ap4 n SER 37 Ca 0.30 0.04 -0.03 0.00 -1.33 0.00 0.00 58.87 57.85 1ap4 n SER 37 Cb 0.37 -0.65 0.21 0.00 -0.75 0.00 0.00 64.21 63.39 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ap4 h THR 38 N -1.17 1.23 -0.75 2.46 1.03 -1.94 -2.72 112.91 111.04 1ap4 h THR 38 Ca -0.42 -0.95 0.10 0.00 -0.01 0.00 0.00 66.41 65.13 1ap4 h THR 38 Cb 1.37 0.95 -0.08 0.00 -1.07 0.00 0.00 68.15 69.32 1ap4 h THR 38 CO 0.24 0.33 0.38 0.50 -0.01 0.00 0.00 175.52 176.96 1ap4 h LYS 39 N 0.62 0.61 -1.17 0.00 3.11 -1.98 0.72 116.57 118.48 1ap4 h LYS 39 Ca 0.12 -0.04 -0.28 0.00 -2.81 0.00 0.00 60.65 57.64 1ap4 h LYS 39 Cb 0.43 -0.14 -0.15 0.00 -1.00 0.00 0.00 32.23 31.37 1ap4 h LYS 39 CO 0.02 0.40 0.36 0.39 -2.81 0.00 0.00 179.45 177.81 1ap4 n GLU 40 N -4.85 1.69 -0.03 1.90 1.02 -1.03 -4.00 120.64 115.34 1ap4 n GLU 40 Ca 0.12 -1.53 -0.04 0.00 -0.02 0.00 0.00 57.16 55.70 1ap4 n GLU 40 Cb 0.30 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.10 2.81 0.00 -4.62 -0.00 0.24 -4.35 117.00 110.98 1ap4 n LEU 41 Ca 0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1ap4 n LEU 41 Cb 0.91 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1ap4 n LEU 41 CO 0.33 0.56 0.46 0.61 -0.00 0.00 0.00 177.39 179.35 1ap4 n GLY 42 N 3.22 -2.45 0.33 -3.96 0.00 -1.23 -0.33 105.19 100.77 1ap4 n GLY 42 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1ap4 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ap4 h LYS 43 N 0.00 0.49 -0.56 1.61 6.56 -1.88 0.21 116.57 123.00 1ap4 h LYS 43 Ca 0.00 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.60 1ap4 h LYS 43 Cb 0.00 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.51 1ap4 h LYS 43 CO 0.00 0.32 0.32 0.28 -2.06 0.00 0.00 179.45 178.31 1ap4 h VAL 44 N 0.50 1.02 -0.03 0.50 2.07 -1.72 -0.56 116.25 118.02 1ap4 h VAL 44 Ca 0.58 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.90 1ap4 h VAL 44 Cb 1.07 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ap4 h VAL 44 CO -0.49 0.11 0.02 0.24 0.02 0.00 0.00 177.57 177.48 1ap4 h MET 45 N 0.62 0.00 -0.20 1.57 2.86 0.24 0.12 114.93 120.14 1ap4 h MET 45 Ca 0.23 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1ap4 h MET 45 Cb 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1ap4 h MET 45 CO -0.13 0.00 -0.16 0.00 1.06 0.00 0.00 176.91 177.68 1ap4 h ARG 46 N 0.00 0.46 0.01 1.72 2.47 -0.61 0.57 114.38 119.01 1ap4 h ARG 46 Ca 0.01 -0.23 -0.20 0.00 -1.26 0.00 0.00 59.98 58.30 1ap4 h ARG 46 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1ap4 h ARG 46 CO -0.00 0.79 -0.92 0.00 0.56 0.00 0.00 179.97 180.40 1ap4 h MET 47 N 0.14 0.11 0.00 0.04 -0.00 -1.08 -3.16 114.93 110.98 1ap4 h MET 47 Ca 0.04 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1ap4 h MET 47 Cb 0.68 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.32 1ap4 h MET 47 CO 0.04 0.95 -0.12 -0.07 -0.00 0.00 0.00 176.91 177.71 1ap4 h LEU 48 N 0.05 0.00 0.00 -0.10 3.38 -0.79 -3.45 115.31 114.40 1ap4 h LEU 48 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ap4 h LEU 48 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ap4 h LEU 48 CO 0.13 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1ap4 n GLY 49 N -0.91 0.53 3.92 0.83 0.00 -1.08 -5.08 105.19 103.40 1ap4 n GLY 49 Ca -0.02 0.00 -0.20 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 2.56 -0.41 1.61 1.11 0.20 -5.00 119.66 119.74 1ap4 s GLN 50 Ca 0.00 -1.51 0.09 0.00 0.01 0.00 0.00 55.36 53.95 1ap4 s GLN 50 Cb 0.00 -2.47 0.32 0.00 -1.01 0.00 0.00 33.01 29.85 1ap4 s GLN 50 CO 0.00 -0.30 0.82 0.27 0.01 0.00 0.00 175.29 176.09 1ap4 n ASN 51 N -1.69 -0.40 -4.07 5.90 0.23 -1.26 -3.26 115.26 110.71 1ap4 n ASN 51 Ca 0.05 -3.18 -0.30 0.00 -0.53 0.00 0.00 54.58 50.63 1ap4 n ASN 51 Cb 0.61 0.25 0.22 0.00 -2.08 0.00 0.00 39.78 38.78 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ap4 s PRO 52 N -1.30 -0.61 0.41 -0.53 0.04 -1.26 -5.06 135.00 126.69 1ap4 s PRO 52 Ca 0.34 0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.48 1ap4 s PRO 52 Cb 0.30 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 33.18 1ap4 s PRO 52 CO -0.09 -3.33 0.52 0.95 0.04 0.00 0.00 177.00 175.09 1ap4 s THR 53 N -3.10 2.97 0.13 1.26 -4.23 -1.26 -5.02 115.64 106.40 1ap4 s THR 53 Ca 0.70 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1ap4 s THR 53 Cb -0.11 -3.02 -0.13 0.00 1.34 0.00 0.00 72.50 70.58 1ap4 s THR 53 CO 0.56 -0.01 1.36 1.55 -0.54 0.00 0.00 174.62 177.54 1ap4 h PRO 54 N 0.75 0.67 0.00 3.99 0.13 -2.01 -2.69 132.00 132.84 1ap4 h PRO 54 Ca -0.41 -0.53 -0.01 0.00 -0.87 0.00 0.00 66.00 64.18 1ap4 h PRO 54 Cb 1.28 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1ap4 h PRO 54 CO 0.48 1.15 -0.05 0.93 -0.23 0.00 0.00 178.00 180.28 1ap4 h GLU 55 N 0.46 0.00 0.07 0.86 5.08 -2.03 -3.16 114.58 115.86 1ap4 h GLU 55 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 1ap4 h GLU 55 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1ap4 h GLU 55 CO 0.14 0.05 -1.26 0.93 -1.00 0.00 0.00 179.01 177.88 1ap4 h GLU 56 N 0.00 0.14 0.00 2.33 4.39 -1.94 -3.27 114.58 116.23 1ap4 h GLU 56 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ap4 h GLU 56 Cb 0.82 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ap4 h GLU 56 CO 0.01 1.05 0.00 1.28 -1.16 0.00 0.00 179.01 180.18 1ap4 n LEU 57 N -3.40 0.00 0.33 1.33 4.32 -1.02 0.19 117.00 118.75 1ap4 n LEU 57 Ca -0.08 0.52 0.14 0.00 -0.02 0.00 0.00 56.01 56.58 1ap4 n LEU 57 Cb 1.00 -0.02 0.75 0.00 -1.62 0.00 0.00 43.42 43.52 1ap4 n LEU 57 CO 0.50 -0.02 1.12 -0.61 -1.22 0.00 0.00 177.39 177.15 1ap4 h GLN 58 N 0.00 0.00 0.10 3.23 5.75 -1.76 -0.41 115.11 122.02 1ap4 h GLN 58 Ca 0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1ap4 h GLN 58 Cb 0.00 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.57 1ap4 h GLN 58 CO 0.00 0.00 -0.60 0.93 -2.65 0.00 0.00 178.83 176.51 1ap4 h GLU 59 N 0.00 0.24 0.11 1.69 5.08 -0.85 -2.66 114.58 118.19 1ap4 h GLU 59 Ca 0.01 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1ap4 h GLU 59 Cb 0.80 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ap4 h GLU 59 CO -0.00 1.17 -0.05 0.52 -1.00 0.00 0.00 179.01 179.65 1ap4 h MET 60 N -0.50 -0.14 -0.36 2.33 2.86 0.38 -2.82 114.93 116.69 1ap4 h MET 60 Ca -0.10 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1ap4 h MET 60 Cb 1.46 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 1ap4 h MET 60 CO 0.11 0.25 0.17 0.82 1.06 0.00 0.00 176.91 179.33 1ap4 h ILE 61 N -0.57 0.97 0.00 -1.22 2.04 -1.52 -0.09 117.51 117.11 1ap4 h ILE 61 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ap4 h ILE 61 Cb 0.46 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1ap4 h ILE 61 CO 0.02 0.07 0.01 -0.78 0.00 0.00 0.00 178.15 177.47 1ap4 h ASP 62 N 0.36 0.00 0.50 1.72 1.82 -1.50 0.71 116.42 120.03 1ap4 h ASP 62 Ca 0.15 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 1ap4 h ASP 62 Cb 0.07 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1ap4 h ASP 62 CO -0.11 0.00 -1.55 -0.62 -1.61 0.00 0.00 179.24 175.35 1ap4 n GLU 63 N -2.85 0.63 -0.02 0.28 -0.58 -0.15 -4.29 120.64 113.66 1ap4 n GLU 63 Ca -0.03 0.02 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1ap4 n GLU 63 Cb 0.07 -1.69 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ap4 n VAL 64 N -2.58 0.21 -2.37 2.62 3.14 -0.31 -4.83 118.33 114.21 1ap4 n VAL 64 Ca -0.06 -0.46 -0.39 0.00 -2.96 0.00 0.00 64.34 60.47 1ap4 n VAL 64 Cb 0.66 -0.03 -0.03 0.00 -1.06 0.00 0.00 33.84 33.38 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 -4.25 5.90 -0.57 6.55 2.15 0.23 -4.83 116.67 121.85 1ap4 s ASP 65 Ca -0.07 -0.51 0.02 0.00 0.43 0.00 0.00 52.55 52.42 1ap4 s ASP 65 Cb 0.10 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 1ap4 s ASP 65 CO 0.74 -2.00 1.60 1.21 -0.17 0.00 0.00 175.17 176.54 1ap4 n GLU 66 N 9.17 3.11 0.00 4.34 2.13 -1.26 -4.51 120.64 133.62 1ap4 n GLU 66 Ca 0.18 -3.87 0.00 0.00 0.66 0.00 0.00 57.16 54.13 1ap4 n GLU 66 Cb 0.50 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ap4 n ASP 67 N -0.66 3.62 0.00 4.31 5.68 -1.26 -5.02 116.55 123.22 1ap4 n ASP 67 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1ap4 n ASP 67 Cb 0.62 0.46 0.00 0.00 -1.14 0.00 0.00 41.12 41.06 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 2.17 0.88 0.06 6.12 0.00 -1.26 -5.00 105.19 108.16 1ap4 n GLY 68 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 0.00 1.61 4.64 -1.95 -3.48 113.55 114.36 1ap4 h SER 69 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ap4 h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ap4 h SER 69 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1ap4 n GLY 70 N 1.70 0.98 3.10 -0.77 0.00 -1.26 -5.10 105.19 103.84 1ap4 n GLY 70 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.32 -0.19 2.61 -4.23 -1.26 -4.64 115.64 106.25 1ap4 s THR 71 Ca 0.00 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1ap4 s THR 71 Cb 0.00 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 1ap4 s THR 71 CO 0.00 -0.93 0.08 -0.69 -0.54 0.00 0.00 174.62 172.54 1ap4 s VAL 72 N -3.64 4.90 0.00 2.29 1.01 -1.20 -4.92 120.40 118.84 1ap4 s VAL 72 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ap4 s VAL 72 Cb 0.06 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1ap4 s VAL 72 CO -0.08 0.44 0.00 -0.90 0.00 0.00 0.00 175.10 174.56 1ap4 n ASP 73 N 3.65 0.00 0.00 3.32 5.75 -1.26 0.16 116.55 128.17 1ap4 n ASP 73 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 1ap4 n ASP 73 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1ap4 n PHE 74 N 0.00 0.00 -0.25 2.11 -0.00 -1.26 -4.42 117.46 113.65 1ap4 n PHE 74 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 1ap4 n PHE 74 Cb 0.00 0.09 0.05 0.00 -0.00 0.00 0.00 39.48 39.62 1ap4 n PHE 74 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 1ap4 h ASP 75 N 0.00 1.08 0.10 -2.13 2.03 -2.01 -2.90 116.42 112.58 1ap4 h ASP 75 Ca 0.00 -0.24 -0.27 0.00 -0.73 0.00 0.00 57.03 55.79 1ap4 h ASP 75 Cb 0.44 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.65 1ap4 h ASP 75 CO 0.00 1.04 -1.40 -0.33 -1.03 0.00 0.00 179.24 177.52 1ap4 h GLU 76 N 1.07 0.21 -1.12 4.15 5.08 -1.92 -3.23 114.58 118.81 1ap4 h GLU 76 Ca 0.22 -0.35 0.34 0.00 -1.00 0.00 0.00 59.36 58.57 1ap4 h GLU 76 Cb 0.40 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 1ap4 h GLU 76 CO 0.01 1.17 0.69 0.35 -1.00 0.00 0.00 179.01 180.23 1ap4 h PHE 77 N -0.38 0.72 -0.00 4.33 3.57 -1.77 0.79 116.94 124.20 1ap4 h PHE 77 Ca -0.31 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1ap4 h PHE 77 Cb 1.70 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1ap4 h PHE 77 CO 0.12 -0.12 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.97 1ap4 h LEU 78 N 0.27 0.05 -1.48 0.59 3.38 -1.63 -3.10 115.31 113.39 1ap4 h LEU 78 Ca 0.72 -0.72 0.30 0.00 0.09 0.00 0.00 57.88 58.27 1ap4 h LEU 78 Cb 1.92 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.57 1ap4 h LEU 78 CO -0.45 0.77 0.72 0.58 0.09 0.00 0.00 178.44 180.15 1ap4 h VAL 79 N -0.66 0.45 -0.17 1.22 2.07 -0.90 1.00 116.25 119.26 1ap4 h VAL 79 Ca -0.00 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1ap4 h VAL 79 Cb 0.77 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ap4 h VAL 79 CO 0.01 0.05 -0.38 0.24 0.02 0.00 0.00 177.57 177.51 1ap4 h MET 80 N 0.29 0.38 0.18 1.57 2.86 -1.29 -2.24 114.93 116.69 1ap4 h MET 80 Ca 0.62 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1ap4 h MET 80 Cb 1.77 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1ap4 h MET 80 CO -0.26 0.71 -0.09 0.52 1.06 0.00 0.00 176.91 178.85 1ap4 h MET 81 N 0.32 -0.24 -0.52 1.72 2.07 0.10 -3.13 114.93 115.26 1ap4 h MET 81 Ca 0.03 0.02 0.15 0.00 -2.07 0.00 0.00 59.70 57.83 1ap4 h MET 81 Cb 0.82 0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.59 1ap4 h MET 81 CO 0.07 0.03 0.50 -0.24 1.07 0.00 0.00 176.91 178.34 1ap4 h VAL 82 N -1.01 0.42 0.54 -2.22 3.04 -1.08 0.34 116.25 116.28 1ap4 h VAL 82 Ca -0.03 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 1ap4 h VAL 82 Cb 0.38 0.62 0.01 0.00 -2.01 0.00 0.00 31.29 30.29 1ap4 h VAL 82 CO 0.04 0.00 -0.26 0.03 -1.01 0.00 0.00 177.57 176.37 1ap4 h ARG 83 N 0.00 -0.70 0.00 4.17 3.08 -1.40 -3.16 114.38 116.37 1ap4 h ARG 83 Ca 0.25 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1ap4 h ARG 83 Cb 1.24 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1ap4 h ARG 83 CO -0.00 -0.47 0.00 0.00 -1.07 0.00 0.00 179.97 178.43 1ap4 n MET 85 N -2.71 0.03 0.00 0.00 2.81 0.11 -5.06 117.12 112.30 1ap4 n MET 85 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1ap4 n MET 85 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 -0.78 0.00 0.00 0.03 4.81 -1.26 -5.02 118.16 115.94 1ap4 n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ap4 n LYS 86 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ap4 n ASP 87 N 0.00 -3.12 -3.04 3.14 9.92 -1.26 -4.76 116.55 117.42 1ap4 n ASP 87 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ap4 n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -3.15 -0.25 0.00 -2.24 8.00 -1.26 -5.24 116.55 112.41 1ap4 n ASP 88 Ca 0.00 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1ap4 n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57