#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 -3.19 0.00 7.83 -0.08 -1.26 -4.89 116.55 114.96 1ap4 n ASP 2 Ca 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1ap4 n ASP 2 Cb 0.00 -4.92 0.00 0.00 2.34 0.00 0.00 41.12 38.54 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 -3.08 0.66 -0.04 1.67 9.92 -1.26 -4.55 116.55 119.88 1ap4 n ASP 3 Ca -0.20 -0.84 -0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1ap4 n ASP 3 Cb 0.64 0.28 -0.00 0.00 -0.64 0.00 0.00 41.12 41.40 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ap4 h ILE 4 N 0.04 0.00 -0.55 0.53 2.04 -2.00 -3.21 117.51 114.36 1ap4 h ILE 4 Ca 0.00 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1ap4 h ILE 4 Cb 0.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 1ap4 h ILE 4 CO 0.00 0.00 0.32 1.88 0.00 0.00 0.00 178.15 180.35 1ap4 h TYR 5 N -0.78 0.60 -1.00 1.37 -1.99 -2.01 -1.50 116.97 111.65 1ap4 h TYR 5 Ca 0.00 0.02 0.24 0.00 2.00 0.00 0.00 58.73 60.99 1ap4 h TYR 5 Cb 0.03 -0.19 -0.09 0.00 2.00 0.00 0.00 36.73 38.48 1ap4 h TYR 5 CO -0.01 0.33 0.64 0.87 -0.00 0.00 0.00 178.16 179.99 1ap4 h LYS 6 N 0.63 0.46 0.00 4.88 1.57 -1.80 1.28 116.57 123.59 1ap4 h LYS 6 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1ap4 h LYS 6 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1ap4 h LYS 6 CO -0.11 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1ap4 n ALA 7 N -2.45 1.63 -0.06 3.86 0.00 -0.57 -3.28 120.51 119.65 1ap4 n ALA 7 Ca 0.24 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.70 1ap4 n ALA 7 Cb 0.78 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1ap4 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ap4 h ALA 8 N 2.28 0.02 -0.57 0.00 0.00 0.17 -3.22 119.26 117.94 1ap4 h ALA 8 Ca 0.00 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1ap4 h ALA 8 Cb 0.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ap4 h ALA 8 CO 0.00 0.13 0.65 0.28 0.00 0.00 0.00 179.25 180.31 1ap4 h VAL 9 N -1.00 0.26 0.00 0.00 2.07 -1.51 0.61 116.25 116.68 1ap4 h VAL 9 Ca -0.02 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 1ap4 h VAL 9 Cb 0.40 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1ap4 h VAL 9 CO -0.02 0.00 -0.85 -0.33 0.02 0.00 0.00 177.57 176.40 1ap4 h GLU 10 N 0.00 0.00 -0.17 1.57 5.08 -1.64 -3.18 114.58 116.23 1ap4 h GLU 10 Ca 0.27 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1ap4 h GLU 10 Cb 1.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1ap4 h GLU 10 CO -0.00 0.85 0.13 1.96 -1.00 0.00 0.00 179.01 180.94 1ap4 h GLN 11 N 0.00 0.00 -6.52 2.33 1.08 0.24 -3.43 115.11 108.81 1ap4 h GLN 11 Ca -0.01 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.62 1ap4 h GLN 11 Cb 1.56 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 29.17 1ap4 h GLN 11 CO 0.11 0.00 -0.48 1.28 -0.95 0.00 0.00 178.83 178.79 1ap4 n LEU 12 N -4.42 0.35 -4.94 1.46 4.77 -1.21 -4.96 117.00 108.05 1ap4 n LEU 12 Ca 0.01 0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 56.41 1ap4 n LEU 12 Cb 0.26 -1.16 0.03 0.00 -2.33 0.00 0.00 43.42 40.22 1ap4 n LEU 12 CO 0.34 -3.26 0.43 0.42 -1.33 0.00 0.00 177.39 173.99 1ap4 s THR 13 N -1.81 3.60 0.36 -5.08 -4.23 -1.26 -4.87 115.64 102.35 1ap4 s THR 13 Ca 0.66 -0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1ap4 s THR 13 Cb -0.40 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.19 1ap4 s THR 13 CO 0.57 -0.34 1.88 1.05 -0.54 0.00 0.00 174.62 177.23 1ap4 h GLU 14 N 0.03 0.31 -0.05 3.99 4.11 -1.96 -1.11 114.58 119.91 1ap4 h GLU 14 Ca -0.45 -0.08 -0.06 0.00 0.07 0.00 0.00 59.36 58.84 1ap4 h GLU 14 Cb 1.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ap4 h GLU 14 CO 0.59 0.45 -0.23 1.05 0.07 0.00 0.00 179.01 180.93 1ap4 h GLU 15 N 0.30 0.09 0.00 1.06 -0.00 -1.99 -1.90 114.58 112.13 1ap4 h GLU 15 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1ap4 h GLU 15 Cb 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.16 1ap4 h GLU 15 CO 0.02 0.33 -0.18 0.37 -0.00 0.00 0.00 179.01 179.55 1ap4 h GLN 16 N 0.09 0.00 -1.08 1.06 4.15 -1.77 -3.29 115.11 114.27 1ap4 h GLN 16 Ca 0.01 0.00 0.35 0.00 0.77 0.00 0.00 58.65 59.78 1ap4 h GLN 16 Cb 0.47 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.02 1ap4 h GLN 16 CO 0.03 0.00 0.65 0.87 -1.93 0.00 0.00 178.83 178.45 1ap4 h LYS 17 N -0.63 0.25 -0.87 1.69 1.57 -1.32 0.89 116.57 118.16 1ap4 h LYS 17 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 17 Cb 0.18 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1ap4 h LYS 17 CO 0.00 0.17 0.57 -0.91 -0.57 0.00 0.00 179.45 178.71 1ap4 h ASN 18 N 0.26 0.99 -0.19 0.86 4.21 -1.49 -1.58 115.58 118.64 1ap4 h ASN 18 Ca 0.74 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 58.18 1ap4 h ASN 18 Cb 1.89 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.83 1ap4 h ASN 18 CO -0.53 0.71 -0.03 -0.33 -1.29 0.00 0.00 177.43 175.96 1ap4 h GLU 19 N 1.17 0.49 0.00 0.81 3.07 0.76 -1.97 114.58 118.90 1ap4 h GLU 19 Ca 0.32 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1ap4 h GLU 19 Cb -0.12 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1ap4 h GLU 19 CO -0.07 0.54 -0.26 0.74 -1.40 0.00 0.00 179.01 178.57 1ap4 h PHE 20 N 0.47 0.00 -0.02 4.33 -1.00 -1.03 -3.02 116.94 116.67 1ap4 h PHE 20 Ca 0.10 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 1ap4 h PHE 20 Cb 0.36 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 1ap4 h PHE 20 CO 0.01 0.26 0.00 -0.22 -1.61 0.00 0.00 178.31 176.75 1ap4 h LYS 21 N 0.00 0.04 0.21 1.51 3.64 -1.12 -0.79 116.57 120.06 1ap4 h LYS 21 Ca -0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1ap4 h LYS 21 Cb 0.53 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1ap4 h LYS 21 CO 0.03 0.31 -0.42 0.00 -2.27 0.00 0.00 179.45 177.10 1ap4 h ALA 22 N 0.73 -0.81 -0.72 5.00 0.00 -1.51 -2.16 119.26 119.80 1ap4 h ALA 22 Ca 0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ap4 h ALA 22 Cb 0.29 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1ap4 h ALA 22 CO 0.00 -1.01 0.42 0.00 0.00 0.00 0.00 179.25 178.66 1ap4 h ALA 23 N -0.29 0.96 -0.83 0.00 0.00 -1.57 -2.02 119.26 115.51 1ap4 h ALA 23 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1ap4 h ALA 23 Cb 0.71 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 1ap4 h ALA 23 CO -0.19 0.13 0.20 0.35 0.00 0.00 0.00 179.25 179.73 1ap4 h PHE 24 N 0.78 0.29 0.00 0.00 3.04 -0.50 1.67 116.94 122.22 1ap4 h PHE 24 Ca 0.31 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1ap4 h PHE 24 Cb 0.15 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.67 1ap4 h PHE 24 CO -0.06 -0.18 0.00 -0.25 -2.02 0.00 0.00 178.31 175.80 1ap4 n ASP 25 N -5.22 0.00 0.01 0.41 9.92 -0.77 -2.82 116.55 118.09 1ap4 n ASP 25 Ca 0.19 0.27 -0.15 0.00 -0.53 0.00 0.00 54.79 54.57 1ap4 n ASP 25 Cb 0.60 -0.39 -0.14 0.00 -0.64 0.00 0.00 41.12 40.55 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 0.86 0.00 0.53 2.04 0.26 -3.35 117.51 117.84 1ap4 h ILE 26 Ca 0.00 -2.61 -0.09 0.00 1.00 0.00 0.00 64.86 63.16 1ap4 h ILE 26 Cb 0.22 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1ap4 h ILE 26 CO 0.00 0.72 -0.43 -0.26 0.00 0.00 0.00 178.15 178.18 1ap4 h PHE 27 N 0.04 0.00 -0.32 1.37 0.04 -1.30 -3.20 116.94 113.57 1ap4 h PHE 27 Ca -0.32 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.36 1ap4 h PHE 27 Cb 2.02 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.11 1ap4 h PHE 27 CO 0.04 0.43 0.12 1.33 -0.60 0.00 0.00 178.31 179.62 1ap4 n VAL 28 N -3.21 1.50 -1.52 -0.55 0.24 -1.14 -4.77 118.33 108.88 1ap4 n VAL 28 Ca 0.02 -0.69 -0.15 0.00 -2.04 0.00 0.00 64.34 61.48 1ap4 n VAL 28 Cb 0.70 -0.56 -0.12 0.00 -1.47 0.00 0.00 33.84 32.39 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 0.07 0.70 -0.12 1.34 4.77 -1.21 -0.10 117.00 122.45 1ap4 n LEU 29 Ca 0.18 -1.31 -0.01 0.00 -0.03 0.00 0.00 56.01 54.83 1ap4 n LEU 29 Cb 0.80 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1ap4 n LEU 29 CO 0.19 -2.36 -0.01 0.61 -1.33 0.00 0.00 177.39 174.49 1ap4 n GLY 30 N 6.30 0.46 2.43 -0.72 0.00 -1.26 -5.02 105.19 107.39 1ap4 n GLY 30 Ca 0.50 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 0.67 -2.26 -0.08 4.61 0.00 0.86 -4.86 120.51 119.45 1ap4 n ALA 31 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.63 1ap4 n ALA 31 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ap4 h GLU 32 N 0.00 0.85 0.00 0.00 5.08 -1.90 -3.38 114.58 115.23 1ap4 h GLU 32 Ca -0.17 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.53 1ap4 h GLU 32 Cb 0.57 0.05 -0.29 0.00 0.50 0.00 0.00 28.75 29.58 1ap4 h GLU 32 CO 0.10 1.15 -0.77 -0.40 -1.00 0.00 0.00 179.01 178.09 1ap4 n ASP 33 N -4.01 0.31 -0.46 1.42 5.68 -1.26 -4.98 116.55 113.25 1ap4 n ASP 33 Ca -0.04 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1ap4 n ASP 33 Cb 0.60 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 0.32 0.94 3.52 6.12 0.00 -1.26 -5.07 105.19 109.76 1ap4 n GLY 34 Ca -0.05 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.15 3.71 0.66 0.00 1.01 -0.76 -4.13 121.20 118.55 1ap4 s ILE 36 Ca 0.31 -2.02 -0.16 0.00 0.00 0.00 0.00 60.65 58.77 1ap4 s ILE 36 Cb 0.07 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1ap4 s ILE 36 CO 0.14 -0.74 1.18 -0.55 0.00 0.00 0.00 174.94 174.97 1ap4 s SER 37 N 2.09 4.79 0.26 3.58 0.15 -1.26 -1.91 113.70 121.40 1ap4 s SER 37 Ca 0.08 2.27 -0.01 0.00 0.70 0.00 0.00 55.95 58.99 1ap4 s SER 37 Cb -0.24 -2.58 0.52 0.00 -1.71 0.00 0.00 66.02 62.01 1ap4 s SER 37 CO -0.03 -1.86 1.77 0.71 1.20 0.00 0.00 173.24 175.03 1ap4 h THR 38 N 0.20 0.76 -1.06 6.45 1.35 -1.96 0.28 112.91 118.93 1ap4 h THR 38 Ca -0.48 -0.23 0.31 0.00 -0.55 0.00 0.00 66.41 65.46 1ap4 h THR 38 Cb 1.28 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 1ap4 h THR 38 CO 0.53 0.12 0.78 0.11 -0.25 0.00 0.00 175.52 176.81 1ap4 h LYS 39 N 0.67 0.00 0.00 4.72 1.57 -1.97 0.41 116.57 121.97 1ap4 h LYS 39 Ca 0.46 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.96 1ap4 h LYS 39 Cb 0.61 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1ap4 h LYS 39 CO -0.34 0.00 -1.75 0.39 -0.57 0.00 0.00 179.45 177.18 1ap4 n GLU 40 N -4.16 0.64 -0.34 3.15 4.71 0.88 -4.09 120.64 121.43 1ap4 n GLU 40 Ca 0.23 0.25 0.18 0.00 -0.01 0.00 0.00 57.16 57.81 1ap4 n GLU 40 Cb 1.14 -1.76 0.41 0.00 -1.01 0.00 0.00 31.44 30.22 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ap4 h LEU 41 N 0.00 0.62 0.16 -4.62 7.12 0.81 0.29 115.31 119.69 1ap4 h LEU 41 Ca -0.30 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 57.82 1ap4 h LEU 41 Cb 1.97 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 42.12 1ap4 h LEU 41 CO 0.07 0.13 -0.09 1.23 -0.13 0.00 0.00 178.44 179.64 1ap4 h GLY 42 N 0.55 -0.25 1.73 3.75 0.00 -1.68 -1.42 103.07 105.76 1ap4 h GLY 42 Ca 0.62 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 1ap4 h GLY 42 CO -0.40 -0.10 0.04 0.50 0.00 0.00 0.00 176.54 176.58 1ap4 h LYS 43 N -0.24 0.35 -0.58 4.80 1.79 -1.23 -1.98 116.57 119.48 1ap4 h LYS 43 Ca -0.02 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1ap4 h LYS 43 Cb 0.20 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1ap4 h LYS 43 CO 0.02 0.34 0.10 0.28 -1.08 0.00 0.00 179.45 179.12 1ap4 h VAL 44 N 0.34 1.24 -0.16 0.50 2.07 -0.38 -2.95 116.25 116.92 1ap4 h VAL 44 Ca 0.08 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1ap4 h VAL 44 Cb 0.16 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ap4 h VAL 44 CO -0.00 0.34 -0.25 0.24 0.02 0.00 0.00 177.57 177.92 1ap4 h MET 45 N 0.87 0.45 -0.42 1.57 2.86 -0.57 0.11 114.93 119.80 1ap4 h MET 45 Ca 0.18 -0.27 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1ap4 h MET 45 Cb 0.37 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.96 1ap4 h MET 45 CO 0.01 0.87 -0.28 0.00 1.06 0.00 0.00 176.91 178.56 1ap4 h ARG 46 N 0.07 -0.20 -0.00 1.72 3.08 -1.28 -0.16 114.38 117.62 1ap4 h ARG 46 Ca 0.01 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1ap4 h ARG 46 Cb 0.83 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.94 1ap4 h ARG 46 CO 0.06 -0.13 -0.59 0.00 -1.07 0.00 0.00 179.97 178.23 1ap4 h MET 47 N -0.20 0.41 -0.65 0.04 -0.00 -1.56 -3.31 114.93 109.66 1ap4 h MET 47 Ca 0.19 -0.43 0.11 0.00 -0.00 0.00 0.00 59.70 59.57 1ap4 h MET 47 Cb 0.51 0.12 -0.12 0.00 -0.00 0.00 0.00 31.60 32.11 1ap4 h MET 47 CO -0.53 1.10 -0.33 -0.07 -0.00 0.00 0.00 176.91 177.08 1ap4 h LEU 48 N -0.11 -1.15 0.00 -0.10 3.38 -0.29 -3.44 115.31 113.60 1ap4 h LEU 48 Ca -0.07 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ap4 h LEU 48 Cb 1.30 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1ap4 h LEU 48 CO 0.12 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 178.96 1ap4 n GLY 49 N -1.44 0.00 3.16 0.83 0.00 -0.21 -5.07 105.19 102.47 1ap4 n GLY 49 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 0.94 -0.47 1.61 1.11 -0.41 -5.04 119.66 117.40 1ap4 s GLN 50 Ca 0.00 -1.43 0.07 0.00 0.01 0.00 0.00 55.36 54.01 1ap4 s GLN 50 Cb 0.00 0.25 0.24 0.00 -1.01 0.00 0.00 33.01 32.49 1ap4 s GLN 50 CO 0.00 -0.27 0.56 -1.71 0.01 0.00 0.00 175.29 173.88 1ap4 n ASN 51 N -0.10 1.21 -4.78 5.90 5.15 -1.26 -3.61 115.26 117.77 1ap4 n ASN 51 Ca -0.05 -2.89 -0.34 0.00 -0.60 0.00 0.00 54.58 50.70 1ap4 n ASN 51 Cb 0.64 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 39.26 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ap4 s PRO 52 N -1.42 3.20 0.90 1.20 0.04 -1.26 -5.03 135.00 132.63 1ap4 s PRO 52 Ca 0.36 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1ap4 s PRO 52 Cb 0.14 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.82 1ap4 s PRO 52 CO -0.10 -0.94 1.19 0.95 0.04 0.00 0.00 177.00 178.14 1ap4 s THR 53 N -2.07 1.97 -0.01 1.26 -4.23 -1.26 -4.91 115.64 106.41 1ap4 s THR 53 Ca 0.69 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.99 1ap4 s THR 53 Cb -0.21 -2.88 -0.21 0.00 1.34 0.00 0.00 72.50 70.54 1ap4 s THR 53 CO 0.32 0.00 1.14 1.55 -0.54 0.00 0.00 174.62 177.10 1ap4 h PRO 54 N -1.43 0.31 0.00 3.99 0.13 -2.01 -2.43 132.00 130.57 1ap4 h PRO 54 Ca -0.47 -0.28 -0.06 0.00 -0.87 0.00 0.00 66.00 64.32 1ap4 h PRO 54 Cb 1.31 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1ap4 h PRO 54 CO 0.57 0.94 -0.30 0.93 -0.23 0.00 0.00 178.00 179.90 1ap4 h GLU 55 N -0.22 0.00 0.04 0.86 5.08 -2.02 -3.01 114.58 115.31 1ap4 h GLU 55 Ca -0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1ap4 h GLU 55 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ap4 h GLU 55 CO 0.07 0.30 -1.03 0.93 -1.00 0.00 0.00 179.01 178.28 1ap4 h GLU 56 N 0.00 0.18 -0.45 2.33 4.39 -1.94 -3.03 114.58 116.06 1ap4 h GLU 56 Ca -0.00 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.48 1ap4 h GLU 56 Cb 0.76 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.43 1ap4 h GLU 56 CO 0.04 1.06 -0.38 1.25 -1.16 0.00 0.00 179.01 179.82 1ap4 h LEU 57 N 0.08 -1.34 -0.34 1.33 5.85 -1.29 0.39 115.31 119.99 1ap4 h LEU 57 Ca -0.07 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ap4 h LEU 57 Cb 1.72 0.57 0.00 0.00 0.37 0.00 0.00 40.66 43.32 1ap4 h LEU 57 CO 0.16 -0.22 0.00 -0.61 -0.34 0.00 0.00 178.44 177.43 1ap4 h GLN 58 N -0.14 0.00 0.14 1.25 5.75 -1.73 -3.05 115.11 117.33 1ap4 h GLN 58 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1ap4 h GLN 58 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1ap4 h GLN 58 CO -0.50 0.00 -0.07 1.49 -2.65 0.00 0.00 178.83 177.10 1ap4 h GLU 59 N 0.00 -0.18 0.00 1.69 4.57 -0.62 -1.66 114.58 118.38 1ap4 h GLU 59 Ca 0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1ap4 h GLU 59 Cb 0.71 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1ap4 h GLU 59 CO 0.00 0.27 -0.22 0.52 -1.18 0.00 0.00 179.01 178.39 1ap4 h MET 60 N -0.87 0.00 0.00 1.92 2.86 -0.46 -1.91 114.93 116.47 1ap4 h MET 60 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ap4 h MET 60 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ap4 h MET 60 CO 0.03 0.22 0.00 0.82 1.06 0.00 0.00 176.91 179.05 1ap4 h ILE 61 N 0.00 0.00 -0.00 -1.22 2.04 -1.57 -3.04 117.51 113.71 1ap4 h ILE 61 Ca -0.00 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1ap4 h ILE 61 Cb 0.40 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1ap4 h ILE 61 CO 0.03 0.00 -0.11 -0.67 0.00 0.00 0.00 178.15 177.39 1ap4 n ASP 62 N -3.05 0.51 -0.05 1.72 2.03 -0.63 -3.03 116.55 114.05 1ap4 n ASP 62 Ca 0.04 -0.61 0.01 0.00 0.52 0.00 0.00 54.79 54.75 1ap4 n ASP 62 Cb 0.52 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1ap4 n ASP 62 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ap4 n GLU 63 N -0.92 1.35 -0.00 -0.67 0.28 -1.17 -4.64 120.64 114.86 1ap4 n GLU 63 Ca 0.14 -0.43 0.04 0.00 -0.16 0.00 0.00 57.16 56.76 1ap4 n GLU 63 Cb 0.28 -0.90 -0.06 0.00 1.43 0.00 0.00 31.44 32.19 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1ap4 n VAL 64 N -0.23 0.00 -1.58 3.84 3.14 -1.16 -4.93 118.33 117.41 1ap4 n VAL 64 Ca 0.01 -0.21 -0.36 0.00 -2.96 0.00 0.00 64.34 60.82 1ap4 n VAL 64 Cb 0.04 0.46 -0.03 0.00 -1.06 0.00 0.00 33.84 33.25 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 -2.66 4.47 -0.01 6.55 2.15 -1.17 -4.81 116.67 121.19 1ap4 s ASP 65 Ca -0.02 1.04 -0.24 0.00 0.43 0.00 0.00 52.55 53.76 1ap4 s ASP 65 Cb 0.05 -2.50 -0.16 0.00 -0.30 0.00 0.00 42.92 40.01 1ap4 s ASP 65 CO 0.32 -2.86 1.12 -0.08 -0.17 0.00 0.00 175.17 173.51 1ap4 h GLU 66 N 19.38 -0.32 0.00 4.34 4.81 -1.93 -3.01 114.58 137.84 1ap4 h GLU 66 Ca -0.24 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ap4 h GLU 66 Cb 1.26 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1ap4 h GLU 66 CO 1.16 0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 179.07 1ap4 n ASP 67 N -5.06 0.00 -4.05 1.04 5.75 -1.26 -4.87 116.55 108.10 1ap4 n ASP 67 Ca -0.09 0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.38 1ap4 n ASP 67 Cb 0.26 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 68 N 0.76 -0.46 0.00 6.12 0.00 -1.14 -4.76 105.19 105.71 1ap4 n GLY 68 Ca 0.10 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.56 0.00 0.00 1.61 3.41 -1.26 -4.87 113.62 109.95 1ap4 n SER 69 Ca 0.07 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1ap4 n SER 69 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.63 2.61 3.69 5.00 0.00 -1.26 -5.04 105.19 110.83 1ap4 n GLY 70 Ca 0.07 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.86 2.18 -0.30 2.61 -4.23 -1.26 -4.73 115.64 108.06 1ap4 s THR 71 Ca 0.00 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1ap4 s THR 71 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1ap4 s THR 71 CO 0.00 -0.00 0.17 -0.69 -0.54 0.00 0.00 174.62 173.56 1ap4 s VAL 72 N -2.64 4.97 0.00 2.29 1.01 -0.80 -4.93 120.40 120.30 1ap4 s VAL 72 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ap4 s VAL 72 Cb 0.06 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1ap4 s VAL 72 CO 0.21 0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 1ap4 n ASP 73 N 5.03 0.00 0.17 3.32 -0.08 -1.26 -1.83 116.55 121.90 1ap4 n ASP 73 Ca -0.14 -0.58 0.13 0.00 -1.51 0.00 0.00 54.79 52.70 1ap4 n ASP 73 Cb 0.51 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.45 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 -0.22 0.00 0.10 -0.67 3.57 -1.98 0.11 116.94 117.85 1ap4 h PHE 74 Ca 0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1ap4 h PHE 74 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1ap4 h PHE 74 CO 0.00 0.00 -1.49 0.22 -2.23 0.00 0.00 178.31 174.81 1ap4 h ASP 75 N 0.00 0.33 0.76 0.41 3.58 -2.01 -3.34 116.42 116.16 1ap4 h ASP 75 Ca 0.00 -0.83 -0.25 0.00 0.42 0.00 0.00 57.03 56.37 1ap4 h ASP 75 Cb 0.54 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1ap4 h ASP 75 CO 0.00 1.64 -1.26 -0.33 -2.88 0.00 0.00 179.24 176.41 1ap4 h GLU 76 N -0.33 0.08 -0.61 0.28 3.07 -1.89 -3.29 114.58 111.88 1ap4 h GLU 76 Ca -0.33 -0.13 0.08 0.00 -0.50 0.00 0.00 59.36 58.48 1ap4 h GLU 76 Cb 1.75 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.67 1ap4 h GLU 76 CO 0.03 0.95 0.40 0.35 -1.40 0.00 0.00 179.01 179.34 1ap4 h PHE 77 N 0.02 0.52 -0.01 4.33 3.57 -0.96 -2.51 116.94 121.91 1ap4 h PHE 77 Ca -0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1ap4 h PHE 77 Cb 1.88 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.45 1ap4 h PHE 77 CO 0.02 0.27 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.28 1ap4 h LEU 78 N 0.51 0.03 -0.67 0.59 3.38 -1.67 -3.20 115.31 114.27 1ap4 h LEU 78 Ca 0.27 -0.59 0.14 0.00 0.09 0.00 0.00 57.88 57.80 1ap4 h LEU 78 Cb 0.40 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.03 1ap4 h LEU 78 CO -0.08 0.61 -0.06 0.58 0.09 0.00 0.00 178.44 179.58 1ap4 h VAL 79 N -0.55 0.40 -0.67 1.22 2.07 -1.54 0.20 116.25 117.37 1ap4 h VAL 79 Ca -0.00 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1ap4 h VAL 79 Cb 0.61 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1ap4 h VAL 79 CO 0.00 0.01 0.21 -0.03 0.02 0.00 0.00 177.57 177.78 1ap4 h MET 80 N 0.07 0.33 0.82 1.57 4.05 -1.54 0.34 114.93 120.58 1ap4 h MET 80 Ca 0.34 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.70 1ap4 h MET 80 Cb 0.56 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1ap4 h MET 80 CO -0.62 0.22 -0.39 0.52 0.23 0.00 0.00 176.91 176.87 1ap4 h MET 81 N 0.34 -1.06 -0.67 0.39 2.07 -0.65 -0.95 114.93 114.40 1ap4 h MET 81 Ca 0.36 0.07 0.19 0.00 -2.07 0.00 0.00 59.70 58.25 1ap4 h MET 81 Cb 0.54 0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 30.48 1ap4 h MET 81 CO -0.40 -0.71 0.48 -0.24 1.07 0.00 0.00 176.91 177.11 1ap4 h VAL 82 N -1.15 0.68 0.00 -2.22 3.04 -0.90 0.43 116.25 116.13 1ap4 h VAL 82 Ca -0.11 -0.01 -0.06 0.00 -1.01 0.00 0.00 66.70 65.51 1ap4 h VAL 82 Cb 0.85 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1ap4 h VAL 82 CO 0.19 0.00 -0.26 0.03 -1.01 0.00 0.00 177.57 176.52 1ap4 h ARG 83 N 0.03 0.00 0.00 4.17 3.08 0.10 0.51 114.38 122.27 1ap4 h ARG 83 Ca 0.32 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.07 1ap4 h ARG 83 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 1ap4 h ARG 83 CO -0.01 0.26 -1.89 0.00 -1.07 0.00 0.00 179.97 177.26 1ap4 n MET 85 N -2.93 0.62 -0.84 0.00 0.00 0.04 -3.98 117.12 110.03 1ap4 n MET 85 Ca -0.21 0.09 -0.09 0.00 0.00 0.00 0.00 57.70 57.49 1ap4 n MET 85 Cb 1.06 -1.76 0.21 0.00 0.00 0.00 0.00 33.22 32.73 1ap4 n MET 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1ap4 n LYS 86 N -2.66 2.80 -3.72 3.17 4.81 0.17 -4.74 118.16 117.99 1ap4 n LYS 86 Ca -0.04 -2.36 -0.36 0.00 -0.87 0.00 0.00 58.31 54.68 1ap4 n LYS 86 Cb 0.65 -1.98 -0.10 0.00 0.02 0.00 0.00 35.03 33.62 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ap4 s ASP 87 N -0.70 5.23 0.00 3.14 1.01 -1.26 -4.97 116.67 119.13 1ap4 s ASP 87 Ca 0.43 -2.95 0.00 0.00 0.71 0.00 0.00 52.55 50.74 1ap4 s ASP 87 Cb 0.35 -1.85 0.00 0.00 1.01 0.00 0.00 42.92 42.43 1ap4 s ASP 87 CO 0.10 -0.34 0.00 0.47 0.21 0.00 0.00 175.17 175.61 1ap4 n ASP 88 N 3.35 1.23 -0.13 0.27 8.00 -1.26 -5.07 116.55 122.94 1ap4 n ASP 88 Ca 0.09 -0.05 0.02 0.00 0.71 0.00 0.00 54.79 55.56 1ap4 n ASP 88 Cb 0.37 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57