#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 5.45 -0.37 7.83 2.03 -1.26 -4.42 116.55 125.81 1ap4 n ASP 2 Ca 0.00 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.23 1ap4 n ASP 2 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 3.89 0.00 0.10 1.67 2.03 -1.26 -4.93 116.55 118.06 1ap4 n ASP 3 Ca 0.32 -1.22 -0.13 0.00 0.52 0.00 0.00 54.79 54.29 1ap4 n ASP 3 Cb 0.39 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.68 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 4.91 0.74 -0.24 5.18 2.04 -2.01 -2.00 117.51 126.13 1ap4 h ILE 4 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ap4 h ILE 4 Cb 1.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ap4 h ILE 4 CO 0.00 0.00 0.06 1.88 0.00 0.00 0.00 178.15 180.09 1ap4 h TYR 5 N -0.26 0.40 -1.06 1.37 -1.99 -1.97 -2.51 116.97 110.95 1ap4 h TYR 5 Ca 0.00 -0.05 0.28 0.00 2.00 0.00 0.00 58.73 60.97 1ap4 h TYR 5 Cb 0.25 -0.11 -0.09 0.00 2.00 0.00 0.00 36.73 38.78 1ap4 h TYR 5 CO -0.12 0.47 0.69 0.87 -0.00 0.00 0.00 178.16 180.08 1ap4 h LYS 6 N 0.20 0.31 -0.36 4.88 1.57 -1.87 0.17 116.57 121.47 1ap4 h LYS 6 Ca 0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 6 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ap4 h LYS 6 CO 0.00 0.21 0.02 0.00 -0.57 0.00 0.00 179.45 179.11 1ap4 h ALA 7 N 1.59 0.49 0.19 3.86 0.00 -0.91 -2.70 119.26 121.78 1ap4 h ALA 7 Ca 0.59 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ap4 h ALA 7 Cb 1.63 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1ap4 h ALA 7 CO -0.25 0.23 -0.44 0.00 0.00 0.00 0.00 179.25 178.79 1ap4 h ALA 8 N 0.88 -0.84 -0.77 0.00 0.00 -0.58 2.14 119.26 120.10 1ap4 h ALA 8 Ca 0.11 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1ap4 h ALA 8 Cb 0.42 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1ap4 h ALA 8 CO 0.01 -1.03 0.32 0.28 0.00 0.00 0.00 179.25 178.83 1ap4 h VAL 9 N -0.73 0.65 0.00 0.00 2.07 -1.51 0.10 116.25 116.83 1ap4 h VAL 9 Ca 0.00 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1ap4 h VAL 9 Cb 0.72 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ap4 h VAL 9 CO -0.21 0.08 -0.46 -0.08 0.02 0.00 0.00 177.57 176.93 1ap4 h GLU 10 N 0.45 0.00 0.00 1.57 4.81 -0.99 -3.10 114.58 117.33 1ap4 h GLU 10 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1ap4 h GLU 10 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1ap4 h GLU 10 CO -0.41 0.46 0.00 1.96 -0.73 0.00 0.00 179.01 180.28 1ap4 h GLN 11 N 0.00 0.00 -7.20 1.92 7.50 0.61 -3.44 115.11 114.50 1ap4 h GLN 11 Ca -0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.63 1ap4 h GLN 11 Cb 1.25 0.00 0.12 0.00 0.05 0.00 0.00 27.48 28.90 1ap4 h GLN 11 CO 0.06 0.00 0.37 -0.51 -1.50 0.00 0.00 178.83 177.25 1ap4 s LEU 12 N -5.29 3.34 0.67 1.46 1.43 -0.96 -5.01 118.68 114.33 1ap4 s LEU 12 Ca 0.01 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 1ap4 s LEU 12 Cb 0.09 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 1ap4 s LEU 12 CO 0.41 -1.82 1.05 0.42 0.23 0.00 0.00 176.35 176.65 1ap4 s THR 13 N -2.31 4.19 0.25 5.49 -4.23 -1.26 -4.94 115.64 112.82 1ap4 s THR 13 Ca 0.68 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.84 1ap4 s THR 13 Cb -0.22 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.30 1ap4 s THR 13 CO 0.43 -0.93 1.90 1.05 -0.54 0.00 0.00 174.62 176.54 1ap4 h GLU 14 N -0.59 1.28 0.00 3.99 4.11 -1.94 -0.94 114.58 120.48 1ap4 h GLU 14 Ca -0.44 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1ap4 h GLU 14 Cb 1.21 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ap4 h GLU 14 CO 0.59 0.88 0.17 1.05 0.07 0.00 0.00 179.01 181.78 1ap4 h GLU 15 N 1.30 0.00 0.03 1.06 4.11 -1.99 -0.66 114.58 118.43 1ap4 h GLU 15 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.77 1ap4 h GLU 15 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ap4 h GLU 15 CO -0.07 0.00 -0.01 0.37 0.07 0.00 0.00 179.01 179.37 1ap4 h GLN 16 N 0.00 -0.03 -0.19 1.06 5.75 -1.53 -3.12 115.11 117.05 1ap4 h GLN 16 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1ap4 h GLN 16 Cb 0.34 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1ap4 h GLN 16 CO 0.00 -0.02 0.22 0.87 -2.65 0.00 0.00 178.83 177.25 1ap4 h LYS 17 N -0.28 0.00 -0.44 1.69 6.56 -1.53 -0.94 116.57 121.62 1ap4 h LYS 17 Ca -0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 1ap4 h LYS 17 Cb 0.03 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 1ap4 h LYS 17 CO 0.01 0.00 0.06 -0.91 -2.06 0.00 0.00 179.45 176.55 1ap4 h ASN 18 N 0.00 0.71 -0.22 0.86 2.35 -1.22 -0.08 115.58 117.99 1ap4 h ASN 18 Ca 0.09 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1ap4 h ASN 18 Cb 0.54 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1ap4 h ASN 18 CO -0.00 0.79 -0.34 -0.33 -1.65 0.00 0.00 177.43 175.91 1ap4 h GLU 19 N 0.59 0.61 -0.39 0.81 4.39 -1.12 -3.11 114.58 116.37 1ap4 h GLU 19 Ca 0.13 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1ap4 h GLU 19 Cb 0.39 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ap4 h GLU 19 CO 0.01 0.98 0.03 0.74 -1.16 0.00 0.00 179.01 179.61 1ap4 h PHE 20 N 0.30 0.62 -0.03 4.33 0.04 -1.38 -2.81 116.94 118.01 1ap4 h PHE 20 Ca 0.02 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.76 1ap4 h PHE 20 Cb 0.92 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.84 1ap4 h PHE 20 CO 0.09 0.58 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.82 1ap4 h LYS 21 N 0.58 -0.46 0.29 1.51 1.63 -0.93 0.89 116.57 120.08 1ap4 h LYS 21 Ca 0.12 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1ap4 h LYS 21 Cb 0.32 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1ap4 h LYS 21 CO 0.01 -0.31 -0.23 0.00 -3.45 0.00 0.00 179.45 175.47 1ap4 h ALA 22 N 0.24 -0.52 -0.78 5.00 0.00 -1.55 -2.40 119.26 119.25 1ap4 h ALA 22 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ap4 h ALA 22 Cb 0.57 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1ap4 h ALA 22 CO -0.29 -0.81 0.43 0.00 0.00 0.00 0.00 179.25 178.58 1ap4 h ALA 23 N 0.12 1.10 -0.72 0.00 0.00 -1.20 -1.64 119.26 116.91 1ap4 h ALA 23 Ca -0.02 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.09 1ap4 h ALA 23 Cb 0.47 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 1ap4 h ALA 23 CO -0.02 0.07 0.04 0.35 0.00 0.00 0.00 179.25 179.69 1ap4 h PHE 24 N 0.74 0.03 0.00 0.00 3.57 0.13 1.30 116.94 122.71 1ap4 h PHE 24 Ca 0.37 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1ap4 h PHE 24 Cb 0.33 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ap4 h PHE 24 CO -0.07 -0.19 0.00 -0.25 -2.23 0.00 0.00 178.31 175.57 1ap4 n ASP 25 N -5.29 0.00 0.05 0.41 9.92 -0.63 -2.33 116.55 118.68 1ap4 n ASP 25 Ca 0.13 0.40 -0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1ap4 n ASP 25 Cb 0.45 -0.45 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 0.64 0.03 0.53 2.04 0.18 -3.35 117.51 117.58 1ap4 h ILE 26 Ca 0.00 -2.12 -0.26 0.00 1.00 0.00 0.00 64.86 63.47 1ap4 h ILE 26 Cb 0.20 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1ap4 h ILE 26 CO 0.00 0.36 -1.37 -0.26 0.00 0.00 0.00 178.15 176.88 1ap4 h PHE 27 N 0.00 0.13 0.00 1.37 0.04 -1.10 -3.23 116.94 114.15 1ap4 h PHE 27 Ca -0.13 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1ap4 h PHE 27 Cb 1.57 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.71 1ap4 h PHE 27 CO 0.00 1.11 0.00 1.33 -0.60 0.00 0.00 178.31 180.15 1ap4 n VAL 28 N -3.29 0.58 -0.45 -0.55 0.24 -1.18 -3.45 118.33 110.24 1ap4 n VAL 28 Ca -0.10 0.15 0.41 0.00 -2.04 0.00 0.00 64.34 62.76 1ap4 n VAL 28 Cb 1.00 -0.89 0.73 0.00 -1.47 0.00 0.00 33.84 33.21 1ap4 n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ap4 h LEU 29 N 0.00 0.00 0.00 1.34 -0.00 -1.68 1.37 115.31 116.34 1ap4 h LEU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ap4 h LEU 29 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1ap4 h LEU 29 CO 0.00 0.00 -1.63 0.61 -0.00 0.00 0.00 178.44 177.42 1ap4 n GLY 30 N -1.81 -0.84 3.17 0.83 0.00 -1.22 -4.99 105.19 100.32 1ap4 n GLY 30 Ca 0.32 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.99 -2.89 -0.03 4.61 0.00 0.47 -4.97 120.51 115.71 1ap4 n ALA 31 Ca -0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 53.44 52.10 1ap4 n ALA 31 Cb 0.45 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.66 2.76 -0.03 0.00 4.71 -1.26 -4.71 120.64 119.46 1ap4 n GLU 32 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.23 1ap4 n GLU 32 Cb 0.51 -1.14 -0.12 0.00 -1.01 0.00 0.00 31.44 29.68 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1ap4 n ASP 33 N -2.26 1.35 0.00 1.62 5.68 -1.26 -5.00 116.55 116.68 1ap4 n ASP 33 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1ap4 n ASP 33 Cb 0.67 1.48 0.00 0.00 -1.14 0.00 0.00 41.12 42.13 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 1.74 0.91 2.46 6.12 0.00 -1.26 -5.16 105.19 109.99 1ap4 n GLY 34 Ca -0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.92 2.75 1.28 0.00 1.01 -0.99 -3.78 121.20 118.55 1ap4 s ILE 36 Ca 0.27 -1.95 -0.21 0.00 0.00 0.00 0.00 60.65 58.77 1ap4 s ILE 36 Cb 0.01 -2.83 0.32 0.00 0.01 0.00 0.00 42.46 39.96 1ap4 s ILE 36 CO 0.19 -0.45 1.06 -0.44 0.00 0.00 0.00 174.94 175.31 1ap4 s SER 37 N 1.30 0.24 0.28 3.58 0.01 -1.26 0.18 113.70 118.03 1ap4 s SER 37 Ca 0.04 0.66 0.21 0.00 1.31 0.00 0.00 55.95 58.17 1ap4 s SER 37 Cb -0.21 -0.91 0.11 0.00 0.21 0.00 0.00 66.02 65.23 1ap4 s SER 37 CO -0.05 -4.55 1.27 0.00 0.41 0.00 0.00 173.24 170.33 1ap4 h THR 38 N -2.87 0.17 -0.22 1.44 1.03 -1.93 -3.07 112.91 107.45 1ap4 h THR 38 Ca -0.44 -1.27 -0.02 0.00 -0.01 0.00 0.00 66.41 64.67 1ap4 h THR 38 Cb 1.30 1.86 -0.01 0.00 -1.07 0.00 0.00 68.15 70.23 1ap4 h THR 38 CO 0.31 0.09 0.05 0.50 -0.01 0.00 0.00 175.52 176.46 1ap4 h LYS 39 N 0.00 0.31 0.00 0.00 3.64 -1.95 -2.42 116.57 116.15 1ap4 h LYS 39 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ap4 h LYS 39 Cb 1.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1ap4 h LYS 39 CO 0.01 0.30 -1.56 -1.91 -2.27 0.00 0.00 179.45 174.02 1ap4 n GLU 40 N -4.40 0.54 -0.11 1.90 0.00 -1.24 -4.46 120.64 112.86 1ap4 n GLU 40 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 57.16 56.94 1ap4 n GLU 40 Cb 0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 31.44 29.91 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1ap4 h LEU 41 N 0.00 -1.81 -0.93 4.31 7.12 -1.33 0.17 115.31 122.85 1ap4 h LEU 41 Ca 0.00 0.23 0.28 0.00 0.13 0.00 0.00 57.88 58.52 1ap4 h LEU 41 Cb 0.92 0.74 -0.16 0.00 -0.53 0.00 0.00 40.66 41.63 1ap4 h LEU 41 CO 0.00 -0.42 0.27 1.23 -0.13 0.00 0.00 178.44 179.39 1ap4 h GLY 42 N -0.43 1.54 1.00 3.75 0.00 -1.78 0.62 103.07 107.77 1ap4 h GLY 42 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1ap4 h GLY 42 CO -0.56 -0.47 -0.04 0.50 0.00 0.00 0.00 176.54 175.97 1ap4 h LYS 43 N 0.16 0.85 0.02 4.80 1.57 -1.01 -1.37 116.57 121.58 1ap4 h LYS 43 Ca 0.62 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1ap4 h LYS 43 Cb 1.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1ap4 h LYS 43 CO -0.72 0.91 -0.01 0.28 -0.57 0.00 0.00 179.45 179.35 1ap4 h VAL 44 N 0.69 1.19 0.00 0.50 2.07 0.19 -2.03 116.25 118.86 1ap4 h VAL 44 Ca 0.13 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1ap4 h VAL 44 Cb 0.56 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1ap4 h VAL 44 CO 0.03 0.17 -0.03 0.24 0.02 0.00 0.00 177.57 178.00 1ap4 h MET 45 N -0.31 0.00 0.01 1.57 2.86 -0.49 0.18 114.93 118.76 1ap4 h MET 45 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ap4 h MET 45 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1ap4 h MET 45 CO 0.00 0.03 -0.18 0.00 1.06 0.00 0.00 176.91 177.82 1ap4 h ARG 46 N 0.00 0.10 -0.10 1.72 3.08 -0.85 1.74 114.38 120.07 1ap4 h ARG 46 Ca -0.00 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1ap4 h ARG 46 Cb 0.16 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ap4 h ARG 46 CO 0.00 0.95 -0.55 0.00 -1.07 0.00 0.00 179.97 179.30 1ap4 h MET 47 N -0.69 0.55 -0.72 0.04 -0.00 -1.10 -3.14 114.93 109.87 1ap4 h MET 47 Ca -0.03 -0.46 0.18 0.00 -0.00 0.00 0.00 59.70 59.40 1ap4 h MET 47 Cb 1.02 0.10 -0.04 0.00 -0.00 0.00 0.00 31.60 32.68 1ap4 h MET 47 CO 0.04 1.09 0.50 -0.07 -0.00 0.00 0.00 176.91 178.46 1ap4 h LEU 48 N 0.16 0.16 0.00 -0.10 3.38 -1.11 -3.44 115.31 114.36 1ap4 h LEU 48 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ap4 h LEU 48 Cb 1.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ap4 h LEU 48 CO 0.11 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1ap4 n GLY 49 N -1.61 0.07 3.98 0.83 0.00 -1.18 -5.09 105.19 102.18 1ap4 n GLY 49 Ca 0.14 0.00 -0.18 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 2.92 -0.42 1.61 -1.52 0.59 -4.98 119.66 117.85 1ap4 s GLN 50 Ca 0.00 -1.18 0.09 0.00 -1.95 0.00 0.00 55.36 52.32 1ap4 s GLN 50 Cb 0.00 -2.73 0.32 0.00 -0.22 0.00 0.00 33.01 30.37 1ap4 s GLN 50 CO 0.00 -0.10 0.88 0.09 -0.25 0.00 0.00 175.29 175.91 1ap4 n ASN 51 N -1.70 -0.87 -4.77 5.90 4.13 -1.25 -3.25 115.26 113.45 1ap4 n ASN 51 Ca 0.04 -3.28 -0.30 0.00 1.68 0.00 0.00 54.58 52.72 1ap4 n ASN 51 Cb 0.59 0.63 0.10 0.00 -1.54 0.00 0.00 39.78 39.56 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ap4 s PRO 52 N -0.92 1.93 0.75 3.52 0.04 -1.26 -5.05 135.00 134.01 1ap4 s PRO 52 Ca 0.32 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1ap4 s PRO 52 Cb 0.29 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 33.05 1ap4 s PRO 52 CO -0.09 -1.77 1.06 0.95 0.04 0.00 0.00 177.00 177.18 1ap4 s THR 53 N -3.03 2.21 -0.07 1.26 -4.23 -1.26 -4.93 115.64 105.58 1ap4 s THR 53 Ca 0.61 -0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 60.53 1ap4 s THR 53 Cb -0.16 -2.87 -0.22 0.00 1.34 0.00 0.00 72.50 70.59 1ap4 s THR 53 CO 0.55 0.00 1.02 1.55 -0.54 0.00 0.00 174.62 177.21 1ap4 h PRO 54 N -0.75 -0.03 -0.02 3.99 0.13 -2.00 -1.64 132.00 131.69 1ap4 h PRO 54 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1ap4 h PRO 54 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.49 0.63 -0.15 0.93 -0.23 0.00 0.00 178.00 179.67 1ap4 h GLU 55 N -0.73 0.02 0.00 0.86 5.08 -2.03 -1.84 114.58 115.94 1ap4 h GLU 55 Ca -0.00 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1ap4 h GLU 55 Cb 0.67 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1ap4 h GLU 55 CO 0.00 0.18 -0.47 0.93 -1.00 0.00 0.00 179.01 178.65 1ap4 h GLU 56 N 0.02 0.00 -0.04 2.33 4.39 -1.95 -3.24 114.58 116.09 1ap4 h GLU 56 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1ap4 h GLU 56 Cb 0.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1ap4 h GLU 56 CO 0.02 0.44 -0.53 1.25 -1.16 0.00 0.00 179.01 179.03 1ap4 h LEU 57 N 0.00 -1.65 -0.34 1.33 5.85 -0.40 0.57 115.31 120.66 1ap4 h LEU 57 Ca -0.01 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1ap4 h LEU 57 Cb 1.35 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 1ap4 h LEU 57 CO 0.06 -0.51 -0.11 -0.61 -0.34 0.00 0.00 178.44 176.93 1ap4 h GLN 58 N -0.64 0.68 -0.89 1.25 5.75 -1.69 -3.02 115.11 116.55 1ap4 h GLN 58 Ca 0.02 -0.27 0.16 0.00 -0.15 0.00 0.00 58.65 58.41 1ap4 h GLN 58 Cb 0.71 -0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.13 1ap4 h GLN 58 CO -0.38 0.86 0.47 1.49 -2.65 0.00 0.00 178.83 178.62 1ap4 h GLU 59 N 0.47 0.63 0.00 1.69 4.22 -1.49 1.35 114.58 121.45 1ap4 h GLU 59 Ca 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1ap4 h GLU 59 Cb 0.62 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ap4 h GLU 59 CO 0.04 0.41 0.00 -1.33 -2.18 0.00 0.00 179.01 175.95 1ap4 n MET 60 N -4.86 0.09 -0.06 1.92 2.81 0.15 -2.88 117.12 114.29 1ap4 n MET 60 Ca 0.19 0.11 -0.13 0.00 -1.81 0.00 0.00 57.70 56.06 1ap4 n MET 60 Cb 0.47 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1ap4 n MET 60 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ap4 n ILE 61 N -1.44 0.95 0.33 2.02 5.41 0.21 -3.69 119.36 123.14 1ap4 n ILE 61 Ca 0.07 -0.08 0.20 0.00 1.00 0.00 0.00 62.75 63.94 1ap4 n ILE 61 Cb 0.24 -1.77 1.08 0.00 -0.71 0.00 0.00 39.64 38.47 1ap4 n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1ap4 h ASP 62 N -0.52 0.00 0.02 4.38 1.82 0.13 0.40 116.42 122.65 1ap4 h ASP 62 Ca -0.28 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 55.98 1ap4 h ASP 62 Cb 1.12 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.07 1ap4 h ASP 62 CO -0.17 0.00 -2.39 -0.62 -1.61 0.00 0.00 179.24 174.45 1ap4 n GLU 63 N -3.07 0.67 0.11 0.28 1.02 -1.14 -4.32 120.64 114.19 1ap4 n GLU 63 Ca -0.02 0.16 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1ap4 n GLU 63 Cb 0.18 -1.55 0.37 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.01 0.00 -2.16 2.62 3.04 -1.51 -3.46 116.25 114.79 1ap4 h VAL 64 Ca -0.55 -0.50 -0.62 0.00 -1.01 0.00 0.00 66.70 64.02 1ap4 h VAL 64 Cb 1.95 1.46 0.13 0.00 -2.01 0.00 0.00 31.29 32.82 1ap4 h VAL 64 CO -0.05 0.00 -0.34 -0.67 -1.01 0.00 0.00 177.57 175.50 1ap4 n ASP 65 N -2.28 -0.58 0.00 3.17 2.03 0.14 -4.89 116.55 114.13 1ap4 n ASP 65 Ca 0.05 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1ap4 n ASP 65 Cb 0.44 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 66 N 0.70 0.11 0.00 -0.67 -0.58 -1.26 -4.72 120.64 114.23 1ap4 n GLU 66 Ca 0.12 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 1ap4 n GLU 66 Cb 0.36 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ap4 n ASP 67 N -0.09 0.81 -2.89 1.62 5.68 -1.26 -5.01 116.55 115.41 1ap4 n ASP 67 Ca 0.00 -0.98 -0.16 0.00 -0.50 0.00 0.00 54.79 53.16 1ap4 n ASP 67 Cb 0.17 0.03 0.07 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.03 -0.19 0.96 6.12 0.00 -1.26 -4.94 105.19 105.91 1ap4 n GLY 68 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.35 0.84 0.00 1.61 3.41 -1.26 -5.05 113.62 110.82 1ap4 n SER 69 Ca -0.12 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ap4 n SER 69 Cb 0.59 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 3.18 1.62 3.96 5.00 0.00 -1.26 -5.12 105.19 112.57 1ap4 n GLY 70 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.14 2.36 -0.36 2.61 -4.23 -1.26 -4.38 115.64 109.23 1ap4 s THR 71 Ca 0.00 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1ap4 s THR 71 Cb 0.00 -2.92 0.06 0.00 1.34 0.00 0.00 72.50 70.98 1ap4 s THR 71 CO 0.00 0.00 0.14 -0.69 -0.54 0.00 0.00 174.62 173.53 1ap4 s VAL 72 N -3.11 3.74 0.59 2.29 1.01 0.48 -4.93 120.40 120.48 1ap4 s VAL 72 Ca 0.61 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ap4 s VAL 72 Cb -0.09 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1ap4 s VAL 72 CO 0.43 -0.30 0.86 -0.62 0.00 0.00 0.00 175.10 175.47 1ap4 s ASP 73 N 1.60 5.31 0.18 3.32 -1.08 -1.26 -2.33 116.67 122.41 1ap4 s ASP 73 Ca 0.00 0.37 -0.23 0.00 -0.52 0.00 0.00 52.55 52.17 1ap4 s ASP 73 Cb -0.21 -1.27 0.09 0.00 -1.46 0.00 0.00 42.92 40.07 1ap4 s ASP 73 CO 0.01 -1.19 1.57 0.15 0.52 0.00 0.00 175.17 176.23 1ap4 h PHE 74 N -0.15 -1.17 -0.12 -5.34 3.57 -1.97 1.69 116.94 113.45 1ap4 h PHE 74 Ca -0.44 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.19 1ap4 h PHE 74 Cb 1.28 0.61 -0.05 0.00 2.79 0.00 0.00 35.95 40.58 1ap4 h PHE 74 CO 0.40 -0.41 -0.23 0.22 -2.23 0.00 0.00 178.31 176.07 1ap4 h ASP 75 N -0.16 -0.70 0.30 0.41 1.82 -2.00 -1.70 116.42 114.39 1ap4 h ASP 75 Ca 0.22 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1ap4 h ASP 75 Cb 0.56 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1ap4 h ASP 75 CO -0.75 -0.28 -0.15 -0.33 -1.61 0.00 0.00 179.24 176.12 1ap4 h GLU 76 N -0.30 -0.39 -1.53 0.28 5.08 -1.42 -2.78 114.58 113.53 1ap4 h GLU 76 Ca 0.10 0.03 0.47 0.00 -1.00 0.00 0.00 59.36 58.95 1ap4 h GLU 76 Cb 0.44 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 1ap4 h GLU 76 CO -0.29 -0.07 1.05 0.35 -1.00 0.00 0.00 179.01 179.05 1ap4 h PHE 77 N -0.76 0.25 0.17 4.33 3.57 0.26 0.58 116.94 125.35 1ap4 h PHE 77 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ap4 h PHE 77 Cb 0.50 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ap4 h PHE 77 CO 0.02 -0.09 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.86 1ap4 h LEU 78 N 0.05 -0.19 0.15 0.59 3.38 -1.10 -3.13 115.31 115.05 1ap4 h LEU 78 Ca 0.82 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.55 1ap4 h LEU 78 Cb 2.93 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 43.68 1ap4 h LEU 78 CO -0.20 0.37 -0.42 0.58 0.09 0.00 0.00 178.44 178.85 1ap4 h VAL 79 N -0.97 0.15 -1.40 1.22 2.07 -0.68 0.76 116.25 117.39 1ap4 h VAL 79 Ca -0.02 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.91 1ap4 h VAL 79 Cb 0.43 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1ap4 h VAL 79 CO 0.04 0.00 1.00 0.00 0.02 0.00 0.00 177.57 178.63 1ap4 h MET 80 N -0.68 0.02 0.15 1.57 -0.00 -1.30 -0.02 114.93 114.67 1ap4 h MET 80 Ca 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1ap4 h MET 80 Cb 0.69 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1ap4 h MET 80 CO -0.23 0.02 -0.07 0.52 -0.00 0.00 0.00 176.91 177.14 1ap4 h MET 81 N 0.02 -0.20 -1.00 -0.10 2.07 -0.83 -2.98 114.93 111.91 1ap4 h MET 81 Ca 0.68 0.01 0.29 0.00 -2.07 0.00 0.00 59.70 58.62 1ap4 h MET 81 Cb 2.66 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 32.40 1ap4 h MET 81 CO -0.04 -0.13 0.73 -0.24 1.07 0.00 0.00 176.91 178.29 1ap4 h VAL 82 N -0.90 0.48 0.00 -2.22 3.04 -0.22 2.09 116.25 118.53 1ap4 h VAL 82 Ca -0.02 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.54 1ap4 h VAL 82 Cb 0.16 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1ap4 h VAL 82 CO 0.03 0.00 -0.61 0.03 -1.01 0.00 0.00 177.57 176.01 1ap4 h ARG 83 N 0.00 0.00 0.00 4.17 3.08 -1.10 -3.29 114.38 117.24 1ap4 h ARG 83 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 1ap4 h ARG 83 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1ap4 h ARG 83 CO -0.00 0.61 -1.07 0.00 -1.07 0.00 0.00 179.97 178.44 1ap4 h MET 85 N 0.00 -0.48 -5.81 0.00 2.86 0.30 -3.47 114.93 108.33 1ap4 h MET 85 Ca 0.00 0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.37 1ap4 h MET 85 Cb 0.41 0.11 0.12 0.00 0.06 0.00 0.00 31.60 32.30 1ap4 h MET 85 CO 0.00 -0.32 -0.80 1.17 1.06 0.00 0.00 176.91 178.02 1ap4 n LYS 86 N -3.67 -1.67 0.00 1.72 3.00 -1.26 -4.66 118.16 111.63 1ap4 n LYS 86 Ca -0.06 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 1ap4 n LYS 86 Cb 0.22 -4.97 0.00 0.00 0.00 0.00 0.00 35.03 30.28 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ap4 n ASP 87 N -2.79 -0.18 -0.00 3.14 -0.08 -1.26 -4.08 116.55 111.30 1ap4 n ASP 87 Ca -0.08 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.25 1ap4 n ASP 87 Cb 0.60 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.99 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ap4 n ASP 88 N -3.76 1.60 0.00 1.67 5.68 -1.26 -5.18 116.55 115.29 1ap4 n ASP 88 Ca 0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 1ap4 n ASP 88 Cb 0.00 1.22 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33