#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 6.33 0.00 6.12 9.92 -1.26 -4.18 116.55 133.48 1ap4 n ASP 2 Ca 0.00 -2.72 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 1ap4 n ASP 2 Cb 0.00 -1.60 0.00 0.00 -0.64 0.00 0.00 41.12 38.88 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ap4 n ASP 3 N 4.78 0.25 0.00 -2.24 2.03 -1.26 -4.61 116.55 115.49 1ap4 n ASP 3 Ca 0.65 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ap4 n ASP 3 Cb 0.31 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ap4 n ILE 4 N -0.74 0.00 -0.42 5.18 5.41 -1.26 -4.00 119.36 123.53 1ap4 n ILE 4 Ca 0.00 0.31 0.34 0.00 1.00 0.00 0.00 62.75 64.40 1ap4 n ILE 4 Cb 0.00 -1.02 0.62 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.52 -0.99 1.39 -1.99 -1.92 0.79 116.97 114.78 1ap4 h TYR 5 Ca 0.00 0.02 0.22 0.00 2.00 0.00 0.00 58.73 60.97 1ap4 h TYR 5 Cb 0.00 -0.13 -0.09 0.00 2.00 0.00 0.00 36.73 38.50 1ap4 h TYR 5 CO 0.00 -0.13 0.62 0.87 -0.00 0.00 0.00 178.16 179.52 1ap4 h LYS 6 N 0.15 0.56 0.00 4.88 1.57 -1.82 0.84 116.57 122.75 1ap4 h LYS 6 Ca 0.76 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.46 1ap4 h LYS 6 Cb 2.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.51 1ap4 h LYS 6 CO -0.36 0.37 -0.23 0.00 -0.57 0.00 0.00 179.45 178.66 1ap4 h ALA 7 N 1.64 1.07 -0.20 3.86 0.00 0.48 -1.22 119.26 124.89 1ap4 h ALA 7 Ca 0.56 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1ap4 h ALA 7 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ap4 h ALA 7 CO -0.32 0.29 -0.44 0.00 0.00 0.00 0.00 179.25 178.78 1ap4 h ALA 8 N 1.77 0.86 0.18 0.00 0.00 0.69 -1.63 119.26 121.13 1ap4 h ALA 8 Ca -0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 1ap4 h ALA 8 Cb 0.69 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ap4 h ALA 8 CO 0.03 0.65 -1.64 0.28 0.00 0.00 0.00 179.25 178.57 1ap4 h VAL 9 N 0.40 0.99 -0.66 0.00 2.07 -1.21 -3.35 116.25 114.49 1ap4 h VAL 9 Ca 0.03 -2.50 -0.03 0.00 0.82 0.00 0.00 66.70 65.01 1ap4 h VAL 9 Cb 0.94 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.46 1ap4 h VAL 9 CO 0.08 0.82 0.27 -0.08 0.02 0.00 0.00 177.57 178.69 1ap4 h GLU 10 N 0.01 0.97 -0.49 1.57 4.81 -1.26 -2.00 114.58 118.19 1ap4 h GLU 10 Ca -0.33 -0.15 0.14 0.00 -0.13 0.00 0.00 59.36 58.89 1ap4 h GLU 10 Cb 2.02 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1ap4 h GLU 10 CO 0.16 0.78 0.38 1.96 -0.73 0.00 0.00 179.01 181.56 1ap4 h GLN 11 N 0.95 0.00 -6.19 1.92 7.50 -1.42 -3.42 115.11 114.45 1ap4 h GLN 11 Ca 0.23 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.06 1ap4 h GLN 11 Cb 0.17 0.00 0.17 0.00 0.05 0.00 0.00 27.48 27.87 1ap4 h GLN 11 CO -0.02 0.00 -0.79 1.28 -1.50 0.00 0.00 178.83 177.80 1ap4 n LEU 12 N -4.22 -1.86 -4.88 1.46 4.77 -0.75 -4.94 117.00 106.57 1ap4 n LEU 12 Ca 0.09 -0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.47 1ap4 n LEU 12 Cb 0.59 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1ap4 n LEU 12 CO 0.35 -3.07 0.01 0.42 -1.33 0.00 0.00 177.39 173.76 1ap4 s THR 13 N -2.11 5.20 0.39 -5.08 -4.23 -1.26 -4.97 115.64 103.58 1ap4 s THR 13 Ca 0.41 0.25 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 1ap4 s THR 13 Cb -0.06 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.53 1ap4 s THR 13 CO 0.46 0.28 1.85 -0.08 -0.54 0.00 0.00 174.62 176.59 1ap4 h GLU 14 N 3.68 0.49 0.00 3.99 4.81 -1.92 0.63 114.58 126.26 1ap4 h GLU 14 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1ap4 h GLU 14 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ap4 h GLU 14 CO 0.67 0.32 0.00 -0.85 -0.73 0.00 0.00 179.01 178.43 1ap4 n GLU 15 N -4.55 0.20 0.00 1.92 0.28 -1.26 -3.05 120.64 114.19 1ap4 n GLU 15 Ca 0.19 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1ap4 n GLU 15 Cb 0.62 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.70 1ap4 n GLU 15 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ap4 n GLN 16 N -2.16 0.00 -0.45 3.44 7.27 0.22 -3.35 117.38 122.35 1ap4 n GLN 16 Ca 0.04 0.31 0.39 0.00 0.07 0.00 0.00 57.00 57.81 1ap4 n GLN 16 Cb 0.33 -0.79 0.72 0.00 2.41 0.00 0.00 30.24 32.91 1ap4 n GLN 16 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1ap4 h LYS 17 N 0.00 0.06 0.00 3.69 2.10 -1.65 1.80 116.57 122.57 1ap4 h LYS 17 Ca 0.00 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1ap4 h LYS 17 Cb 0.00 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1ap4 h LYS 17 CO 0.00 0.04 -0.25 -0.91 -2.00 0.00 0.00 179.45 176.33 1ap4 h ASN 18 N 0.07 0.00 0.07 7.07 2.35 -1.68 -2.50 115.58 120.96 1ap4 h ASN 18 Ca 0.72 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.31 1ap4 h ASN 18 Cb 2.65 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 41.02 1ap4 h ASN 18 CO -0.13 0.25 -0.59 -0.33 -1.65 0.00 0.00 177.43 174.98 1ap4 h GLU 19 N 0.00 0.53 -0.03 0.81 4.39 0.28 -3.07 114.58 117.49 1ap4 h GLU 19 Ca -0.00 -0.36 -0.13 0.00 0.34 0.00 0.00 59.36 59.21 1ap4 h GLU 19 Cb 0.49 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1ap4 h GLU 19 CO 0.03 0.97 -0.60 0.74 -1.16 0.00 0.00 179.01 178.99 1ap4 h PHE 20 N 0.40 0.11 -0.97 4.33 0.04 -1.34 -3.08 116.94 116.43 1ap4 h PHE 20 Ca -0.00 -0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.85 1ap4 h PHE 20 Cb 1.15 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.20 1ap4 h PHE 20 CO 0.05 0.67 0.62 -0.22 -0.60 0.00 0.00 178.31 178.82 1ap4 h LYS 21 N 0.07 0.89 0.52 1.51 3.64 -1.36 0.21 116.57 122.05 1ap4 h LYS 21 Ca -0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ap4 h LYS 21 Cb 1.08 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1ap4 h LYS 21 CO 0.08 0.59 -0.25 0.00 -2.27 0.00 0.00 179.45 177.61 1ap4 h ALA 22 N 1.56 -0.87 -0.81 5.00 0.00 -1.61 -3.04 119.26 119.48 1ap4 h ALA 22 Ca 0.48 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.43 1ap4 h ALA 22 Cb 0.54 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1ap4 h ALA 22 CO -0.25 -0.82 0.55 0.00 0.00 0.00 0.00 179.25 178.73 1ap4 h ALA 23 N -1.45 2.31 -0.10 0.00 0.00 -1.56 -1.59 119.26 116.87 1ap4 h ALA 23 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ap4 h ALA 23 Cb 0.53 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1ap4 h ALA 23 CO 0.12 -0.55 -0.27 0.35 0.00 0.00 0.00 179.25 178.89 1ap4 h PHE 24 N 0.30 -0.74 0.00 0.00 3.57 -0.47 0.34 116.94 119.94 1ap4 h PHE 24 Ca 0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.94 1ap4 h PHE 24 Cb 1.13 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1ap4 h PHE 24 CO -0.00 -0.36 0.00 -0.25 -2.23 0.00 0.00 178.31 175.47 1ap4 n ASP 25 N -5.39 0.00 0.03 0.41 8.00 -0.62 -2.35 116.55 116.64 1ap4 n ASP 25 Ca -0.03 -0.14 0.06 0.00 0.71 0.00 0.00 54.79 55.38 1ap4 n ASP 25 Cb 0.30 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1ap4 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ap4 n ILE 26 N -1.19 0.72 0.80 0.53 5.41 0.11 -4.04 119.36 121.71 1ap4 n ILE 26 Ca 0.09 -0.61 0.12 0.00 1.00 0.00 0.00 62.75 63.35 1ap4 n ILE 26 Cb 0.11 -0.40 0.17 0.00 -0.71 0.00 0.00 39.64 38.81 1ap4 n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1ap4 n PHE 27 N -2.65 0.20 1.55 1.39 3.72 -0.68 -3.76 117.46 117.23 1ap4 n PHE 27 Ca -0.07 0.06 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 1ap4 n PHE 27 Cb 0.70 -0.39 0.44 0.00 -0.94 0.00 0.00 39.48 39.29 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 -1.75 0.12 0.03 -4.37 0.24 -1.21 -4.07 118.33 107.32 1ap4 n VAL 28 Ca 0.04 -0.20 0.22 0.00 -2.04 0.00 0.00 64.34 62.36 1ap4 n VAL 28 Cb 0.38 0.09 0.73 0.00 -1.47 0.00 0.00 33.84 33.57 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 1.25 0.00 0.00 1.34 -0.00 -1.77 0.15 115.31 116.29 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 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1ap4 h LEU 29 CO 0.00 0.00 -1.55 0.61 -0.00 0.00 0.00 178.44 177.50 1ap4 n GLY 30 N -1.54 -0.81 3.43 0.83 0.00 -1.26 -4.99 105.19 100.85 1ap4 n GLY 30 Ca 0.10 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.93 -2.81 0.43 4.61 0.00 0.51 -4.93 120.51 116.39 1ap4 n ALA 31 Ca -0.01 -0.90 0.11 0.00 0.00 0.00 0.00 53.44 52.63 1ap4 n ALA 31 Cb 0.42 -1.82 -0.14 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.82 0.38 0.00 0.00 -0.58 -1.26 -4.62 120.64 111.74 1ap4 n GLU 32 Ca 0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1ap4 n GLU 32 Cb 0.56 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 -1.94 3.64 0.00 1.62 5.75 -1.26 -5.04 116.55 119.32 1ap4 n ASP 33 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ap4 n ASP 33 Cb 0.47 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 2.87 0.12 3.66 6.12 0.00 -1.26 -5.17 105.19 111.53 1ap4 n GLY 34 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 3.86 0.81 0.00 1.01 -1.08 -3.74 121.20 119.05 1ap4 s ILE 36 Ca 0.09 -2.81 -0.10 0.00 0.00 0.00 0.00 60.65 57.82 1ap4 s ILE 36 Cb 0.00 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 39.04 1ap4 s ILE 36 CO 0.06 -0.87 1.10 -0.94 0.00 0.00 0.00 174.94 174.29 1ap4 s SER 37 N 0.97 4.12 0.55 3.58 1.04 -1.26 -0.84 113.70 121.85 1ap4 s SER 37 Ca 0.16 1.87 0.31 0.00 0.48 0.00 0.00 55.95 58.77 1ap4 s SER 37 Cb -0.20 -2.51 1.58 0.00 0.10 0.00 0.00 66.02 64.99 1ap4 s SER 37 CO -0.04 -2.29 2.10 0.00 0.98 0.00 0.00 173.24 173.99 1ap4 h THR 38 N -1.31 0.37 -0.65 2.02 1.03 -1.95 -1.94 112.91 110.49 1ap4 h THR 38 Ca -0.44 -0.46 0.13 0.00 -0.01 0.00 0.00 66.41 65.63 1ap4 h THR 38 Cb 1.24 1.33 -0.04 0.00 -1.07 0.00 0.00 68.15 69.62 1ap4 h THR 38 CO 0.50 0.08 0.44 0.50 -0.01 0.00 0.00 175.52 177.03 1ap4 h LYS 39 N 0.00 0.30 0.00 0.00 1.63 -1.92 -2.50 116.57 114.08 1ap4 h LYS 39 Ca -0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1ap4 h LYS 39 Cb 0.33 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1ap4 h LYS 39 CO 0.01 0.20 -1.67 -1.91 -3.45 0.00 0.00 179.45 172.63 1ap4 n GLU 40 N -4.45 0.61 -0.30 1.90 2.13 -0.97 -4.57 120.64 114.99 1ap4 n GLU 40 Ca 0.12 -0.11 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1ap4 n GLU 40 Cb 0.50 -1.33 0.15 0.00 0.27 0.00 0.00 31.44 31.03 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ap4 h LEU 41 N 0.00 -0.64 -0.08 4.31 7.12 -0.89 -0.27 115.31 124.87 1ap4 h LEU 41 Ca -0.05 0.25 0.02 0.00 0.13 0.00 0.00 57.88 58.23 1ap4 h LEU 41 Cb 0.79 0.48 -0.04 0.00 -0.53 0.00 0.00 40.66 41.36 1ap4 h LEU 41 CO 0.00 -0.27 -0.38 1.23 -0.13 0.00 0.00 178.44 178.89 1ap4 h GLY 42 N 0.03 -1.24 0.22 3.75 0.00 -1.80 0.12 103.07 104.14 1ap4 h GLY 42 Ca 0.45 0.68 0.16 0.00 0.00 0.00 0.00 47.33 48.61 1ap4 h GLY 42 CO -0.84 -0.32 0.53 0.50 0.00 0.00 0.00 176.54 176.40 1ap4 h LYS 43 N -0.42 0.70 0.20 4.80 1.57 -1.43 -1.90 116.57 120.10 1ap4 h LYS 43 Ca 0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ap4 h LYS 43 Cb 0.48 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1ap4 h LYS 43 CO -0.30 0.47 -0.28 0.28 -0.57 0.00 0.00 179.45 179.05 1ap4 h VAL 44 N 0.73 0.39 -0.95 0.50 2.07 0.50 -1.53 116.25 117.96 1ap4 h VAL 44 Ca 0.51 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.23 1ap4 h VAL 44 Cb 0.72 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1ap4 h VAL 44 CO -0.36 0.00 0.61 0.24 0.02 0.00 0.00 177.57 178.08 1ap4 h MET 45 N -0.55 0.51 0.00 1.57 2.86 -0.25 0.35 114.93 119.42 1ap4 h MET 45 Ca 0.01 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1ap4 h MET 45 Cb 0.54 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ap4 h MET 45 CO -0.11 0.34 -0.14 0.00 1.06 0.00 0.00 176.91 178.05 1ap4 h ARG 46 N 0.53 0.00 0.00 1.72 3.08 -0.91 1.52 114.38 120.32 1ap4 h ARG 46 Ca 0.51 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 1ap4 h ARG 46 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1ap4 h ARG 46 CO -0.25 0.14 -0.14 0.52 -1.07 0.00 0.00 179.97 179.18 1ap4 h MET 47 N 0.00 0.00 -0.38 0.04 2.86 -0.01 -3.31 114.93 114.13 1ap4 h MET 47 Ca -0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1ap4 h MET 47 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1ap4 h MET 47 CO 0.02 0.43 0.35 -0.07 1.06 0.00 0.00 176.91 178.70 1ap4 h LEU 48 N -1.00 0.00 0.00 1.22 3.38 -1.42 -3.44 115.31 114.06 1ap4 h LEU 48 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ap4 h LEU 48 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ap4 h LEU 48 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1ap4 n GLY 49 N -1.52 1.99 3.67 0.83 0.00 -0.79 -5.11 105.19 104.26 1ap4 n GLY 49 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 2.25 -0.41 1.61 -1.52 0.51 -4.99 119.66 117.01 1ap4 s GLN 50 Ca 0.00 -1.55 0.08 0.00 -1.95 0.00 0.00 55.36 51.94 1ap4 s GLN 50 Cb 0.00 -2.10 0.27 0.00 -0.22 0.00 0.00 33.01 30.96 1ap4 s GLN 50 CO 0.00 0.22 0.64 0.09 -0.25 0.00 0.00 175.29 175.98 1ap4 n ASN 51 N -0.99 -0.37 -4.80 5.90 3.02 -1.26 -3.35 115.26 113.41 1ap4 n ASN 51 Ca -0.05 -2.88 -0.34 0.00 -0.03 0.00 0.00 54.58 51.28 1ap4 n ASN 51 Cb 0.61 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.97 3.93 0.93 3.52 0.04 -1.26 -5.05 135.00 136.13 1ap4 s PRO 52 Ca 0.35 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1ap4 s PRO 52 Cb 0.21 -2.20 0.18 0.00 0.04 0.00 0.00 34.50 32.74 1ap4 s PRO 52 CO -0.13 -0.32 1.28 0.95 0.04 0.00 0.00 177.00 178.82 1ap4 s THR 53 N -1.93 2.01 -0.04 1.26 -4.23 -1.26 -4.86 115.64 106.59 1ap4 s THR 53 Ca 0.65 -0.06 -0.24 0.00 -1.18 0.00 0.00 61.69 60.86 1ap4 s THR 53 Cb -0.17 -2.96 -0.18 0.00 1.34 0.00 0.00 72.50 70.54 1ap4 s THR 53 CO 0.21 0.00 1.04 1.55 -0.54 0.00 0.00 174.62 176.88 1ap4 h PRO 54 N -1.49 -0.16 0.00 3.99 0.13 -2.00 -1.30 132.00 131.17 1ap4 h PRO 54 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ap4 h PRO 54 Cb 1.24 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.40 0.31 0.00 1.49 -0.23 0.00 0.00 178.00 179.97 1ap4 h GLU 55 N -0.73 0.00 0.04 0.86 4.81 -2.03 -2.15 114.58 115.38 1ap4 h GLU 55 Ca -0.02 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.91 1ap4 h GLU 55 Cb 0.54 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1ap4 h GLU 55 CO 0.03 0.00 -1.72 0.93 -0.73 0.00 0.00 179.01 177.52 1ap4 h GLU 56 N 0.00 0.08 0.00 1.92 4.39 -1.90 -3.33 114.58 115.74 1ap4 h GLU 56 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1ap4 h GLU 56 Cb 0.16 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ap4 h GLU 56 CO 0.00 0.73 0.00 1.28 -1.16 0.00 0.00 179.01 179.86 1ap4 n LEU 57 N -3.19 0.00 -0.31 1.33 4.32 -0.50 0.18 117.00 118.82 1ap4 n LEU 57 Ca -0.19 0.41 -0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1ap4 n LEU 57 Cb 1.04 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.90 1ap4 n LEU 57 CO 0.45 0.00 0.63 -0.61 -1.22 0.00 0.00 177.39 176.64 1ap4 h GLN 58 N 0.00 -0.04 -0.18 3.23 -0.00 -1.80 0.12 115.11 116.44 1ap4 h GLN 58 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1ap4 h GLN 58 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.44 1ap4 h GLN 58 CO 0.00 -0.03 -0.16 1.49 0.00 0.00 0.00 178.83 180.13 1ap4 h GLU 59 N -0.04 -0.17 -0.71 1.69 4.81 -1.63 0.50 114.58 119.02 1ap4 h GLU 59 Ca 0.34 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.77 1ap4 h GLU 59 Cb 0.60 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1ap4 h GLU 59 CO -0.88 -0.12 0.50 1.98 -0.73 0.00 0.00 179.01 179.77 1ap4 h MET 60 N -0.18 0.12 -0.01 1.92 4.05 0.45 0.37 114.93 121.66 1ap4 h MET 60 Ca 0.11 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1ap4 h MET 60 Cb 0.35 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1ap4 h MET 60 CO -0.29 0.08 -0.53 -0.89 0.23 0.00 0.00 176.91 175.51 1ap4 n ILE 61 N -4.38 0.00 0.51 1.77 5.41 -0.05 -3.85 119.36 118.77 1ap4 n ILE 61 Ca 0.14 -0.11 0.11 0.00 1.00 0.00 0.00 62.75 63.89 1ap4 n ILE 61 Cb 0.70 0.74 0.16 0.00 -0.71 0.00 0.00 39.64 40.52 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 -0.83 3.14 -0.00 4.38 -0.08 0.16 -3.56 116.55 119.75 1ap4 n ASP 62 Ca 0.08 -1.94 0.00 0.00 -1.51 0.00 0.00 54.79 51.43 1ap4 n ASP 62 Cb 0.38 -0.14 -0.01 0.00 2.34 0.00 0.00 41.12 43.68 1ap4 n ASP 62 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ap4 n GLU 63 N 1.32 4.65 -0.01 -0.67 0.28 -0.65 -4.70 120.64 120.86 1ap4 n GLU 63 Ca 0.16 -0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.19 1ap4 n GLU 63 Cb 0.56 -0.69 -0.06 0.00 1.43 0.00 0.00 31.44 32.68 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 -1.18 0.05 -1.67 3.84 3.14 -1.25 -5.00 118.33 116.26 1ap4 n VAL 64 Ca 0.00 -0.20 -0.46 0.00 -2.96 0.00 0.00 64.34 60.73 1ap4 n VAL 64 Cb 0.02 0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 32.96 1ap4 n VAL 64 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ap4 n ASP 65 N -1.83 3.10 -2.33 6.55 2.03 -1.23 -4.87 116.55 117.96 1ap4 n ASP 65 Ca -0.03 1.09 -0.34 0.00 0.52 0.00 0.00 54.79 56.04 1ap4 n ASP 65 Cb 0.26 -1.44 0.07 0.00 -0.72 0.00 0.00 41.12 39.30 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 3.21 2.64 0.00 -0.67 1.02 -1.26 -4.39 120.64 121.19 1ap4 n GLU 66 Ca 0.16 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 1ap4 n GLU 66 Cb 0.30 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 67 N -0.82 0.00 0.00 1.62 5.68 -1.26 -5.02 116.55 116.75 1ap4 n ASP 67 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 1ap4 n ASP 67 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.76 1.17 0.15 6.12 0.00 -1.26 -4.99 105.19 105.62 1ap4 n GLY 68 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 0.76 0.00 1.61 4.64 -1.95 -3.48 113.55 115.13 1ap4 h SER 69 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 1ap4 h SER 69 Cb 0.38 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ap4 h SER 69 CO 0.00 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.13 1ap4 n GLY 70 N 1.50 1.34 3.24 -0.77 0.00 -1.26 -5.11 105.19 104.14 1ap4 n GLY 70 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 0.97 -0.32 2.61 -4.23 -1.26 -4.00 115.64 107.42 1ap4 s THR 71 Ca 0.00 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1ap4 s THR 71 Cb 0.00 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1ap4 s THR 71 CO 0.00 -0.67 0.06 -0.69 -0.54 0.00 0.00 174.62 172.78 1ap4 s VAL 72 N -3.46 3.47 0.51 2.29 1.01 -0.02 -4.96 120.40 119.25 1ap4 s VAL 72 Ca 0.19 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1ap4 s VAL 72 Cb 0.04 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1ap4 s VAL 72 CO 0.01 -0.11 0.74 -1.81 0.00 0.00 0.00 175.10 173.93 1ap4 s ASP 73 N 1.35 5.48 0.63 3.32 1.11 -1.26 -2.63 116.67 124.67 1ap4 s ASP 73 Ca -0.02 0.09 0.24 0.00 0.18 0.00 0.00 52.55 53.04 1ap4 s ASP 73 Cb -0.19 -1.11 1.19 0.00 1.07 0.00 0.00 42.92 43.87 1ap4 s ASP 73 CO 0.01 -0.98 1.66 0.15 1.18 0.00 0.00 175.17 177.18 1ap4 h PHE 74 N 0.19 0.00 0.00 4.23 3.57 -1.97 0.56 116.94 123.53 1ap4 h PHE 74 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 74 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1ap4 h PHE 74 CO 0.40 0.00 -0.01 0.22 -2.23 0.00 0.00 178.31 176.69 1ap4 h ASP 75 N 0.00 0.00 -0.29 0.41 3.58 -2.01 -3.32 116.42 114.79 1ap4 h ASP 75 Ca 0.14 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1ap4 h ASP 75 Cb 1.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.43 1ap4 h ASP 75 CO -0.00 0.08 0.17 -0.33 -2.88 0.00 0.00 179.24 176.27 1ap4 h GLU 76 N -0.15 0.43 -0.64 0.28 5.08 -1.81 -2.62 114.58 115.16 1ap4 h GLU 76 Ca 0.00 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1ap4 h GLU 76 Cb 0.01 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 1ap4 h GLU 76 CO 0.00 0.33 0.05 0.35 -1.00 0.00 0.00 179.01 178.74 1ap4 h PHE 77 N 0.44 0.05 -0.07 4.33 3.57 -0.04 -1.89 116.94 123.33 1ap4 h PHE 77 Ca 0.11 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1ap4 h PHE 77 Cb 0.03 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ap4 h PHE 77 CO 0.00 -0.13 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.57 1ap4 h LEU 78 N 0.16 0.38 -1.69 0.59 3.38 -1.56 -3.05 115.31 113.52 1ap4 h LEU 78 Ca 0.34 -0.65 0.19 0.00 0.09 0.00 0.00 57.88 57.85 1ap4 h LEU 78 Cb 0.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ap4 h LEU 78 CO -0.51 0.97 0.72 0.58 0.09 0.00 0.00 178.44 180.29 1ap4 h VAL 79 N -0.18 0.24 -0.01 1.22 2.07 -1.17 0.17 116.25 118.59 1ap4 h VAL 79 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1ap4 h VAL 79 Cb 0.96 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ap4 h VAL 79 CO 0.06 0.00 -0.26 -0.03 0.02 0.00 0.00 177.57 177.36 1ap4 h MET 80 N 0.00 0.20 0.21 1.57 4.05 -1.26 -2.64 114.93 117.07 1ap4 h MET 80 Ca 0.31 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1ap4 h MET 80 Cb 1.74 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 1ap4 h MET 80 CO -0.00 0.91 -0.11 0.52 0.23 0.00 0.00 176.91 178.46 1ap4 h MET 81 N -0.43 -0.28 -0.40 0.39 2.07 -0.72 -1.96 114.93 113.60 1ap4 h MET 81 Ca -0.03 0.02 0.09 0.00 -2.07 0.00 0.00 59.70 57.71 1ap4 h MET 81 Cb 0.99 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.77 1ap4 h MET 81 CO 0.05 -0.19 0.28 -0.24 1.07 0.00 0.00 176.91 177.88 1ap4 h VAL 82 N -0.29 0.88 0.32 -2.22 3.04 -1.47 0.33 116.25 116.83 1ap4 h VAL 82 Ca -0.03 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 1ap4 h VAL 82 Cb 0.23 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1ap4 h VAL 82 CO 0.04 0.03 -0.15 0.03 -1.01 0.00 0.00 177.57 176.51 1ap4 h ARG 83 N 0.16 -0.41 0.00 4.17 3.08 -0.97 -2.41 114.38 118.00 1ap4 h ARG 83 Ca 0.19 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ap4 h ARG 83 Cb 0.54 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1ap4 h ARG 83 CO -0.03 -0.23 0.00 0.00 -1.07 0.00 0.00 179.97 178.64 1ap4 h MET 85 N 0.00 0.12 -4.74 0.00 2.86 -0.48 -3.43 114.93 109.25 1ap4 h MET 85 Ca 0.00 -0.10 -0.60 0.00 -2.06 0.00 0.00 59.70 56.94 1ap4 h MET 85 Cb 0.52 0.02 -0.35 0.00 0.06 0.00 0.00 31.60 31.85 1ap4 h MET 85 CO 0.00 0.78 -0.84 0.21 1.06 0.00 0.00 176.91 178.12 1ap4 s LYS 86 N -3.49 2.31 0.04 1.72 2.36 -0.96 -5.08 119.74 116.63 1ap4 s LYS 86 Ca -0.16 -0.58 0.01 0.00 -2.55 0.00 0.00 55.97 52.69 1ap4 s LYS 86 Cb 0.01 -2.01 -0.00 0.00 -1.05 0.00 0.00 37.83 34.77 1ap4 s LYS 86 CO 0.72 -0.13 0.03 -3.47 1.55 0.00 0.00 175.35 174.04 1ap4 n ASP 87 N 4.42 0.32 -1.48 1.43 2.03 -1.26 -4.78 116.55 117.24 1ap4 n ASP 87 Ca -0.18 -1.25 0.13 0.00 0.52 0.00 0.00 54.79 54.00 1ap4 n ASP 87 Cb 0.51 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 41.00 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ap4 n ASP 88 N -2.52 -7.99 0.00 1.67 2.03 -1.26 -5.21 116.55 103.27 1ap4 n ASP 88 Ca 0.00 1.58 0.16 0.00 0.52 0.00 0.00 54.79 57.05 1ap4 n ASP 88 Cb 0.07 -5.00 0.94 0.00 -0.72 0.00 0.00 41.12 36.40 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74