#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 0.00 0.00 3.17 5.75 -1.26 -4.91 116.55 119.30 1ap4 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ap4 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ap4 n ASP 3 N 0.00 0.00 0.00 -1.12 2.03 -1.26 -4.29 116.55 111.91 1ap4 n ASP 3 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ap4 n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 0.02 5.18 5.41 -1.26 -2.53 119.36 126.19 1ap4 n ILE 4 Ca 0.00 1.44 0.11 0.00 1.00 0.00 0.00 62.75 65.29 1ap4 n ILE 4 Cb 0.00 -2.44 0.54 0.00 -0.71 0.00 0.00 39.64 37.04 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 0.29 -0.61 1.39 0.05 -1.91 -0.50 116.97 115.68 1ap4 h TYR 5 Ca 0.00 0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.95 1ap4 h TYR 5 Cb 0.00 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1ap4 h TYR 5 CO 0.21 0.16 0.43 0.87 -1.05 0.00 0.00 178.16 178.78 1ap4 h LYS 6 N 0.29 0.06 0.00 4.88 1.57 -1.82 0.17 116.57 121.73 1ap4 h LYS 6 Ca 0.18 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 6 Cb 0.36 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1ap4 h LYS 6 CO -0.04 0.04 -0.86 0.00 -0.57 0.00 0.00 179.45 178.03 1ap4 h ALA 7 N 1.70 0.45 -0.01 3.86 0.00 -0.78 -3.18 119.26 121.30 1ap4 h ALA 7 Ca 0.29 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1ap4 h ALA 7 Cb 1.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ap4 h ALA 7 CO -0.02 1.06 -0.41 0.00 0.00 0.00 0.00 179.25 179.88 1ap4 h ALA 8 N 1.15 1.31 0.04 0.00 0.00 -0.63 -1.33 119.26 119.79 1ap4 h ALA 8 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1ap4 h ALA 8 Cb 1.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ap4 h ALA 8 CO 0.11 0.52 -1.02 0.28 0.00 0.00 0.00 179.25 179.14 1ap4 h VAL 9 N 0.01 1.43 0.00 0.00 2.07 -1.48 -3.19 116.25 115.09 1ap4 h VAL 9 Ca -0.00 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 1ap4 h VAL 9 Cb 0.73 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1ap4 h VAL 9 CO 0.05 0.77 -0.05 -0.33 0.02 0.00 0.00 177.57 178.03 1ap4 h GLU 10 N 0.18 0.00 0.00 1.57 5.08 -1.50 -3.09 114.58 116.83 1ap4 h GLU 10 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ap4 h GLU 10 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1ap4 h GLU 10 CO 0.17 0.05 0.00 1.96 -1.00 0.00 0.00 179.01 180.20 1ap4 h GLN 11 N 0.00 0.00 -6.29 2.33 7.50 -1.23 -3.44 115.11 113.99 1ap4 h GLN 11 Ca -0.00 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.54 1ap4 h GLN 11 Cb 0.98 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.53 1ap4 h GLN 11 CO 0.01 0.00 1.09 1.28 -1.50 0.00 0.00 178.83 179.71 1ap4 n LEU 12 N -2.83 3.47 -4.73 1.46 4.77 -1.17 -4.89 117.00 113.07 1ap4 n LEU 12 Ca 0.01 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.58 1ap4 n LEU 12 Cb 0.30 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1ap4 n LEU 12 CO 0.26 -0.05 0.96 0.35 -1.33 0.00 0.00 177.39 177.58 1ap4 n THR 13 N 5.11 3.41 -0.32 -5.08 -2.24 -1.26 -4.74 114.28 109.15 1ap4 n THR 13 Ca 0.22 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1ap4 n THR 13 Cb 0.30 -1.66 0.11 0.00 -2.10 0.00 0.00 70.33 66.98 1ap4 n THR 13 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ap4 h GLU 14 N 1.66 -0.01 -1.48 -0.78 3.07 -1.95 0.84 114.58 115.94 1ap4 h GLU 14 Ca -0.50 0.00 0.44 0.00 -0.50 0.00 0.00 59.36 58.79 1ap4 h GLU 14 Cb 1.30 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.13 1ap4 h GLU 14 CO 0.58 -0.01 1.04 1.05 -1.40 0.00 0.00 179.01 180.27 1ap4 h GLU 15 N -0.01 0.05 0.05 2.33 4.11 -1.98 0.16 114.58 119.30 1ap4 h GLU 15 Ca 0.41 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.84 1ap4 h GLU 15 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ap4 h GLU 15 CO -0.92 0.03 -0.03 0.37 0.07 0.00 0.00 179.01 178.54 1ap4 h GLN 16 N 0.05 -0.07 -0.85 1.06 4.15 0.40 -2.59 115.11 117.27 1ap4 h GLN 16 Ca 0.75 0.00 0.15 0.00 0.77 0.00 0.00 58.65 60.33 1ap4 h GLN 16 Cb 2.79 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 30.43 1ap4 h GLN 16 CO -0.11 -0.05 0.55 0.87 -1.93 0.00 0.00 178.83 178.16 1ap4 h LYS 17 N -0.16 0.54 -0.71 1.69 1.57 -1.41 0.13 116.57 118.22 1ap4 h LYS 17 Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1ap4 h LYS 17 Cb 0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1ap4 h LYS 17 CO 0.01 0.36 0.23 -0.91 -0.57 0.00 0.00 179.45 178.57 1ap4 h ASN 18 N 0.56 1.03 0.75 0.86 2.35 -0.79 -0.86 115.58 119.47 1ap4 h ASN 18 Ca 0.43 -0.19 -0.25 0.00 -0.55 0.00 0.00 56.30 55.74 1ap4 h ASN 18 Cb 0.82 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1ap4 h ASN 18 CO -0.17 0.95 -1.17 -0.08 -1.65 0.00 0.00 177.43 175.30 1ap4 h GLU 19 N 1.06 0.18 0.00 0.81 4.22 -0.68 -3.25 114.58 116.92 1ap4 h GLU 19 Ca 0.23 -0.30 -0.06 0.00 0.08 0.00 0.00 59.36 59.31 1ap4 h GLU 19 Cb 0.29 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ap4 h GLU 19 CO -0.01 1.14 -0.30 0.74 -2.18 0.00 0.00 179.01 178.40 1ap4 h PHE 20 N 0.05 0.00 -0.30 0.92 -1.00 -0.63 -3.07 116.94 112.91 1ap4 h PHE 20 Ca -0.10 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1ap4 h PHE 20 Cb 1.91 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.45 1ap4 h PHE 20 CO 0.04 0.30 0.13 -0.22 -1.61 0.00 0.00 178.31 176.95 1ap4 h LYS 21 N 0.00 0.44 0.73 1.51 3.11 -1.19 0.55 116.57 121.72 1ap4 h LYS 21 Ca -0.00 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.73 1ap4 h LYS 21 Cb 0.80 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1ap4 h LYS 21 CO 0.04 0.43 -0.35 0.00 -2.81 0.00 0.00 179.45 176.76 1ap4 h ALA 22 N 0.98 -0.98 -0.62 5.00 0.00 -1.66 -2.93 119.26 119.05 1ap4 h ALA 22 Ca 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1ap4 h ALA 22 Cb 0.15 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1ap4 h ALA 22 CO -0.01 -0.93 0.07 0.00 0.00 0.00 0.00 179.25 178.38 1ap4 h ALA 23 N -1.14 0.69 -0.94 0.00 0.00 -1.55 0.11 119.26 116.43 1ap4 h ALA 23 Ca -0.10 0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.22 1ap4 h ALA 23 Cb 0.76 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1ap4 h ALA 23 CO 0.16 -0.36 0.45 0.35 0.00 0.00 0.00 179.25 179.86 1ap4 h PHE 24 N 0.19 0.74 0.00 0.00 3.04 -0.83 1.79 116.94 121.87 1ap4 h PHE 24 Ca 0.33 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.32 1ap4 h PHE 24 Cb 0.53 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1ap4 h PHE 24 CO -0.30 -0.07 0.00 -0.25 -2.02 0.00 0.00 178.31 175.67 1ap4 n ASP 25 N -5.04 0.40 0.12 0.41 8.00 0.37 -3.00 116.55 117.82 1ap4 n ASP 25 Ca 0.25 0.59 -0.24 0.00 0.71 0.00 0.00 54.79 56.10 1ap4 n ASP 25 Cb 0.74 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.18 -0.04 0.53 1.08 0.30 -3.29 117.51 117.27 1ap4 h ILE 26 Ca 0.00 -2.63 -0.15 0.00 -0.39 0.00 0.00 64.86 61.69 1ap4 h ILE 26 Cb 0.36 2.96 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 1ap4 h ILE 26 CO 0.00 0.82 -0.65 -0.26 -0.69 0.00 0.00 178.15 177.37 1ap4 h PHE 27 N 0.11 0.23 0.00 1.37 0.04 -1.38 -2.76 116.94 114.55 1ap4 h PHE 27 Ca -0.28 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1ap4 h PHE 27 Cb 2.13 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 40.24 1ap4 h PHE 27 CO 0.12 0.77 0.00 1.33 -0.60 0.00 0.00 178.31 179.94 1ap4 n VAL 28 N -3.82 0.00 -0.52 -0.55 0.24 -1.16 -3.95 118.33 108.57 1ap4 n VAL 28 Ca -0.02 0.00 0.45 0.00 -2.04 0.00 0.00 64.34 62.72 1ap4 n VAL 28 Cb 0.65 -0.37 0.79 0.00 -1.47 0.00 0.00 33.84 33.43 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 3.38 -1.55 0.87 115.31 119.35 1ap4 h LEU 29 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ap4 h LEU 29 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ap4 h LEU 29 CO 0.00 -0.00 -2.04 0.61 0.09 0.00 0.00 178.44 177.10 1ap4 n GLY 30 N -1.85 -1.03 3.11 0.83 0.00 -1.25 -4.98 105.19 100.01 1ap4 n GLY 30 Ca 0.35 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.40 -5.05 0.29 4.61 0.00 0.30 -4.90 120.51 113.36 1ap4 n ALA 31 Ca -0.12 -1.15 0.09 0.00 0.00 0.00 0.00 53.44 52.25 1ap4 n ALA 31 Cb 0.75 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 1ap4 n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ap4 n GLU 32 N 0.97 0.81 0.00 0.00 0.00 -1.26 -4.72 120.64 116.43 1ap4 n GLU 32 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1ap4 n GLU 32 Cb 0.66 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.72 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 -1.86 1.39 0.00 -1.84 5.75 -1.26 -5.07 116.55 113.65 1ap4 n ASP 33 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1ap4 n ASP 33 Cb 0.39 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 1.82 -0.23 3.25 6.12 0.00 -1.26 -5.18 105.19 109.71 1ap4 n GLY 34 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.09 5.40 0.90 0.00 1.01 -1.21 -4.22 121.20 121.98 1ap4 s ILE 36 Ca -0.11 -2.10 -0.10 0.00 0.00 0.00 0.00 60.65 58.34 1ap4 s ILE 36 Cb -0.05 -4.47 0.14 0.00 0.01 0.00 0.00 42.46 38.09 1ap4 s ILE 36 CO 0.04 -1.04 1.15 -0.94 0.00 0.00 0.00 174.94 174.14 1ap4 s SER 37 N 2.68 3.05 0.33 3.58 1.04 -1.26 -2.14 113.70 120.98 1ap4 s SER 37 Ca 0.16 2.18 0.08 0.00 0.48 0.00 0.00 55.95 58.85 1ap4 s SER 37 Cb -0.15 -2.57 0.59 0.00 0.10 0.00 0.00 66.02 63.99 1ap4 s SER 37 CO -0.06 -3.02 1.78 0.00 0.98 0.00 0.00 173.24 172.93 1ap4 h THR 38 N -1.77 1.26 -0.75 2.02 1.03 -1.96 -2.12 112.91 110.62 1ap4 h THR 38 Ca -0.43 -1.27 0.16 0.00 -0.01 0.00 0.00 66.41 64.86 1ap4 h THR 38 Cb 1.27 1.54 -0.05 0.00 -1.07 0.00 0.00 68.15 69.84 1ap4 h THR 38 CO 0.42 0.38 0.51 0.11 -0.01 0.00 0.00 175.52 176.93 1ap4 h LYS 39 N 0.18 0.36 0.00 0.00 1.79 -1.93 -1.77 116.57 115.20 1ap4 h LYS 39 Ca 0.02 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1ap4 h LYS 39 Cb 0.66 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1ap4 h LYS 39 CO 0.05 0.24 -1.89 0.39 -1.08 0.00 0.00 179.45 177.16 1ap4 n GLU 40 N -4.47 0.65 -0.32 3.15 4.71 -1.05 -4.34 120.64 118.98 1ap4 n GLU 40 Ca 0.15 0.04 0.19 0.00 -0.01 0.00 0.00 57.16 57.52 1ap4 n GLU 40 Cb 0.56 -1.64 0.37 0.00 -1.01 0.00 0.00 31.44 29.73 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 -0.09 -0.38 -4.62 6.46 -0.64 0.14 115.31 116.17 1ap4 h LEU 41 Ca -0.25 0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1ap4 h LEU 41 Cb 1.65 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 41.86 1ap4 h LEU 41 CO 0.03 -0.30 -0.49 1.23 -0.62 0.00 0.00 178.44 178.28 1ap4 h GLY 42 N 0.08 -1.13 2.00 3.75 0.00 -1.75 0.80 103.07 106.82 1ap4 h GLY 42 Ca 0.65 0.74 0.00 0.00 0.00 0.00 0.00 47.33 48.72 1ap4 h GLY 42 CO -0.79 -0.19 0.00 0.07 0.00 0.00 0.00 176.54 175.63 1ap4 h LYS 43 N -0.33 0.00 -0.01 4.80 2.10 -1.30 -2.07 116.57 119.75 1ap4 h LYS 43 Ca 0.07 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.52 1ap4 h LYS 43 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 1ap4 h LYS 43 CO -0.54 0.00 -0.85 0.28 -2.00 0.00 0.00 179.45 176.34 1ap4 h VAL 44 N 0.00 1.44 0.00 0.07 2.07 0.15 -3.04 116.25 116.94 1ap4 h VAL 44 Ca 0.00 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.04 1ap4 h VAL 44 Cb 0.28 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1ap4 h VAL 44 CO 0.00 0.72 -0.13 0.24 0.02 0.00 0.00 177.57 178.42 1ap4 h MET 45 N 0.17 0.00 -0.00 1.57 2.86 0.54 -3.22 114.93 116.86 1ap4 h MET 45 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ap4 h MET 45 Cb 1.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1ap4 h MET 45 CO 0.14 0.13 -0.04 0.00 1.06 0.00 0.00 176.91 178.20 1ap4 h ARG 46 N 0.00 0.03 -0.77 1.72 2.47 -1.42 2.05 114.38 118.45 1ap4 h ARG 46 Ca -0.00 -0.03 0.18 0.00 -1.26 0.00 0.00 59.98 58.87 1ap4 h ARG 46 Cb 0.73 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.94 1ap4 h ARG 46 CO 0.02 0.79 0.16 0.52 0.56 0.00 0.00 179.97 182.01 1ap4 h MET 47 N -0.73 0.21 -0.14 0.04 2.86 -1.55 0.23 114.93 115.86 1ap4 h MET 47 Ca -0.00 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1ap4 h MET 47 Cb 0.80 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1ap4 h MET 47 CO 0.01 0.14 -0.46 -0.07 1.06 0.00 0.00 176.91 177.59 1ap4 h LEU 48 N 0.22 0.38 0.00 1.22 3.38 -1.62 -3.46 115.31 115.43 1ap4 h LEU 48 Ca 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ap4 h LEU 48 Cb 0.81 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ap4 h LEU 48 CO -0.58 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1ap4 n GLY 49 N -0.01 1.53 3.52 0.83 0.00 0.82 -5.14 105.19 106.75 1ap4 n GLY 49 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 1.86 -0.39 1.61 -1.52 0.69 -4.96 119.66 116.95 1ap4 s GLN 50 Ca 0.00 -1.54 0.11 0.00 -1.95 0.00 0.00 55.36 51.98 1ap4 s GLN 50 Cb 0.00 -1.95 0.33 0.00 -0.22 0.00 0.00 33.01 31.17 1ap4 s GLN 50 CO 0.00 0.37 0.71 0.27 -0.25 0.00 0.00 175.29 176.39 1ap4 n ASN 51 N -0.37 1.02 -4.77 5.90 6.94 -1.26 -3.02 115.26 119.69 1ap4 n ASN 51 Ca -0.08 -3.01 -0.29 0.00 -0.02 0.00 0.00 54.58 51.17 1ap4 n ASN 51 Cb 0.58 -0.62 0.12 0.00 -2.36 0.00 0.00 39.78 37.50 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ap4 s PRO 52 N -2.30 1.56 0.52 -0.53 0.04 -1.26 -5.05 135.00 127.98 1ap4 s PRO 52 Ca 0.40 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 1ap4 s PRO 52 Cb 0.31 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.99 1ap4 s PRO 52 CO -0.09 -1.97 0.79 0.95 0.04 0.00 0.00 177.00 176.72 1ap4 s THR 53 N -3.13 3.93 0.18 1.26 -4.23 -1.26 -4.97 115.64 107.42 1ap4 s THR 53 Ca 0.62 -0.20 0.26 0.00 -1.18 0.00 0.00 61.69 61.20 1ap4 s THR 53 Cb -0.15 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.45 1ap4 s THR 53 CO 0.55 -0.45 1.90 1.55 -0.54 0.00 0.00 174.62 177.63 1ap4 h PRO 54 N 0.11 0.00 0.07 3.99 0.13 -2.00 -2.74 132.00 131.56 1ap4 h PRO 54 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1ap4 h PRO 54 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ap4 h PRO 54 CO 0.59 0.17 -0.88 1.49 -0.23 0.00 0.00 178.00 179.14 1ap4 h GLU 55 N 0.00 0.14 -0.90 0.86 4.81 -2.02 -3.35 114.58 114.12 1ap4 h GLU 55 Ca -0.00 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1ap4 h GLU 55 Cb 0.64 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1ap4 h GLU 55 CO 0.02 1.11 0.57 0.93 -0.73 0.00 0.00 179.01 180.91 1ap4 h GLU 56 N -0.65 1.00 -0.77 1.92 5.08 -1.95 -2.81 114.58 116.41 1ap4 h GLU 56 Ca -0.20 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1ap4 h GLU 56 Cb 1.44 -0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1ap4 h GLU 56 CO 0.01 0.66 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.10 1ap4 h LEU 57 N 1.03 -1.79 -2.23 1.33 4.07 -1.62 1.93 115.31 118.04 1ap4 h LEU 57 Ca 0.39 0.29 0.00 0.00 0.08 0.00 0.00 57.88 58.64 1ap4 h LEU 57 Cb 0.16 0.81 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1ap4 h LEU 57 CO -0.17 -0.30 0.05 -0.61 -1.08 0.00 0.00 178.44 176.32 1ap4 h GLN 58 N -0.14 0.00 0.08 1.13 5.75 -1.67 -2.01 115.11 118.25 1ap4 h GLN 58 Ca 0.18 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.52 1ap4 h GLN 58 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1ap4 h GLN 58 CO -0.81 0.00 -0.79 1.49 -2.65 0.00 0.00 178.83 176.06 1ap4 h GLU 59 N 0.00 0.16 0.00 1.69 4.81 0.30 -2.67 114.58 118.87 1ap4 h GLU 59 Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ap4 h GLU 59 Cb 0.10 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ap4 h GLU 59 CO 0.00 1.13 0.00 -1.33 -0.73 0.00 0.00 179.01 178.08 1ap4 n MET 60 N -4.25 0.00 -0.08 1.92 2.81 -0.04 -2.75 117.12 114.74 1ap4 n MET 60 Ca -0.18 0.22 -0.07 0.00 -1.81 0.00 0.00 57.70 55.86 1ap4 n MET 60 Cb 0.73 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.50 1.36 0.26 2.02 5.41 -0.83 -4.03 119.36 122.04 1ap4 n ILE 61 Ca 0.04 0.20 0.13 0.00 1.00 0.00 0.00 62.75 64.12 1ap4 n ILE 61 Cb 0.19 -2.30 0.71 0.00 -0.71 0.00 0.00 39.64 37.54 1ap4 n ILE 61 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1ap4 h ASP 62 N -0.92 0.00 1.34 4.38 3.32 -1.56 0.56 116.42 123.54 1ap4 h ASP 62 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1ap4 h ASP 62 Cb 0.75 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1ap4 h ASP 62 CO 0.00 0.00 -0.68 -0.33 -1.72 0.00 0.00 179.24 176.51 1ap4 h GLU 63 N 0.00 0.00 0.00 3.56 4.39 -1.70 -3.36 114.58 117.47 1ap4 h GLU 63 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1ap4 h GLU 63 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1ap4 h GLU 63 CO 0.00 0.46 -1.49 1.55 -1.16 0.00 0.00 179.01 178.37 1ap4 n VAL 64 N -3.16 0.24 -1.68 3.13 3.14 0.59 -4.94 118.33 115.65 1ap4 n VAL 64 Ca -0.00 -0.28 -0.43 0.00 -2.96 0.00 0.00 64.34 60.68 1ap4 n VAL 64 Cb 0.75 -0.14 -0.03 0.00 -1.06 0.00 0.00 33.84 33.36 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 -3.48 5.47 -0.17 6.55 2.15 0.16 -4.80 116.67 122.55 1ap4 s ASP 65 Ca -0.04 1.73 0.11 0.00 0.43 0.00 0.00 52.55 54.78 1ap4 s ASP 65 Cb 0.05 -2.51 -0.23 0.00 -0.30 0.00 0.00 42.92 39.92 1ap4 s ASP 65 CO 0.37 -1.98 0.18 1.21 -0.17 0.00 0.00 175.17 174.79 1ap4 n GLU 66 N 8.73 0.68 0.00 4.34 2.13 -1.26 -4.09 120.64 131.16 1ap4 n GLU 66 Ca 0.29 0.12 0.09 0.00 0.66 0.00 0.00 57.16 58.32 1ap4 n GLU 66 Cb 0.46 -1.60 0.43 0.00 0.27 0.00 0.00 31.44 30.99 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 -2.99 0.00 -3.79 4.31 5.68 -1.26 -4.87 116.55 113.63 1ap4 n ASP 67 Ca -0.32 0.28 -0.27 0.00 -0.50 0.00 0.00 54.79 53.99 1ap4 n ASP 67 Cb 1.09 -0.40 0.05 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.36 -0.49 0.10 6.12 0.00 -1.26 -4.88 105.19 105.14 1ap4 n GLY 68 Ca 0.06 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.92 1.23 0.00 1.61 3.41 -1.26 -4.98 113.62 110.72 1ap4 n SER 69 Ca -0.01 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1ap4 n SER 69 Cb 0.55 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.73 0.64 3.39 5.00 0.00 -1.26 -5.08 105.19 109.61 1ap4 n GLY 70 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 2.06 -0.47 2.61 -4.23 -1.26 -4.24 115.64 108.11 1ap4 s THR 71 Ca 0.00 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 1ap4 s THR 71 Cb 0.00 -2.08 0.12 0.00 1.34 0.00 0.00 72.50 71.88 1ap4 s THR 71 CO 0.00 -0.40 0.35 -0.69 -0.54 0.00 0.00 174.62 173.34 1ap4 s VAL 72 N -2.41 4.28 0.57 2.29 1.01 -0.91 -4.93 120.40 120.30 1ap4 s VAL 72 Ca 0.23 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1ap4 s VAL 72 Cb -0.04 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1ap4 s VAL 72 CO 0.10 -0.75 0.83 -1.81 0.00 0.00 0.00 175.10 173.47 1ap4 s ASP 73 N 2.67 5.34 0.60 3.32 1.01 -1.26 -3.36 116.67 124.99 1ap4 s ASP 73 Ca 0.05 0.29 0.28 0.00 0.71 0.00 0.00 52.55 53.88 1ap4 s ASP 73 Cb -0.26 -1.22 1.22 0.00 1.01 0.00 0.00 42.92 43.67 1ap4 s ASP 73 CO -0.00 -1.14 1.62 0.15 0.21 0.00 0.00 175.17 176.01 1ap4 h PHE 74 N -0.06 0.00 0.40 4.23 3.57 -1.95 1.42 116.94 124.54 1ap4 h PHE 74 Ca -0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1ap4 h PHE 74 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1ap4 h PHE 74 CO 0.40 0.00 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.85 1ap4 h ASP 75 N 0.00 -0.45 0.81 0.41 3.32 -2.00 -3.09 116.42 115.42 1ap4 h ASP 75 Ca 0.33 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.17 1ap4 h ASP 75 Cb 1.96 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.61 1ap4 h ASP 75 CO -0.00 -0.02 -1.03 -0.33 -1.72 0.00 0.00 179.24 176.14 1ap4 h GLU 76 N -1.14 0.11 -0.47 3.56 5.08 -1.54 -3.23 114.58 116.94 1ap4 h GLU 76 Ca -0.05 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1ap4 h GLU 76 Cb 0.41 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1ap4 h GLU 76 CO 0.09 1.04 0.32 0.35 -1.00 0.00 0.00 179.01 179.81 1ap4 h PHE 77 N 0.04 0.26 0.40 4.33 3.57 0.18 -2.06 116.94 123.65 1ap4 h PHE 77 Ca -0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1ap4 h PHE 77 Cb 1.75 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.41 1ap4 h PHE 77 CO 0.02 0.13 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.97 1ap4 h LEU 78 N 0.25 -0.45 -0.76 0.59 3.38 -1.56 -2.93 115.31 113.83 1ap4 h LEU 78 Ca 0.22 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.38 1ap4 h LEU 78 Cb 0.53 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 1ap4 h LEU 78 CO -0.04 -0.02 0.12 0.58 0.09 0.00 0.00 178.44 179.16 1ap4 h VAL 79 N -1.14 0.41 -0.08 1.22 2.07 -1.59 -0.09 116.25 117.05 1ap4 h VAL 79 Ca -0.05 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ap4 h VAL 79 Cb 0.41 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1ap4 h VAL 79 CO 0.09 0.03 -0.20 -0.03 0.02 0.00 0.00 177.57 177.49 1ap4 h MET 80 N 0.19 -0.27 0.30 1.57 4.05 -1.45 0.39 114.93 119.71 1ap4 h MET 80 Ca 0.44 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.87 1ap4 h MET 80 Cb 0.78 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1ap4 h MET 80 CO -0.60 -0.18 -0.33 0.52 0.23 0.00 0.00 176.91 176.55 1ap4 h MET 81 N -0.28 -0.62 -0.02 0.39 2.07 -0.85 0.48 114.93 116.11 1ap4 h MET 81 Ca 0.08 0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.76 1ap4 h MET 81 Cb 0.40 0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.27 1ap4 h MET 81 CO -0.24 -0.41 0.44 -0.24 1.07 0.00 0.00 176.91 177.53 1ap4 h VAL 82 N -0.64 0.01 0.01 -2.22 3.04 -1.14 0.31 116.25 115.62 1ap4 h VAL 82 Ca -0.04 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.39 1ap4 h VAL 82 Cb 0.56 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 30.37 1ap4 h VAL 82 CO -0.06 0.00 -1.44 0.03 -1.01 0.00 0.00 177.57 175.10 1ap4 h ARG 83 N 0.00 0.01 0.08 4.17 3.08 0.11 -2.73 114.38 119.10 1ap4 h ARG 83 Ca 0.01 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 1ap4 h ARG 83 Cb 0.89 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1ap4 h ARG 83 CO -0.00 0.71 -1.15 0.00 -1.07 0.00 0.00 179.97 178.47 1ap4 n MET 85 N -3.46 1.59 0.00 0.00 0.00 -0.78 -5.05 117.12 109.42 1ap4 n MET 85 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 57.70 56.56 1ap4 n MET 85 Cb 0.99 -1.48 0.00 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 0.25 0.00 -2.19 3.17 4.81 -1.03 -4.79 118.16 118.38 1ap4 n LYS 86 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1ap4 n LYS 86 Cb 0.42 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.52 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ap4 n ASP 87 N -1.88 -0.86 0.00 3.14 2.03 -1.26 -4.70 116.55 113.02 1ap4 n ASP 87 Ca 0.00 -1.65 0.00 0.00 0.52 0.00 0.00 54.79 53.66 1ap4 n ASP 87 Cb 0.00 0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ap4 n ASP 88 N -0.67 0.00 0.00 1.67 8.00 -1.26 -5.18 116.55 119.11 1ap4 n ASP 88 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ap4 n ASP 88 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27