#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 s ASP 2 N 0.00 -0.21 0.00 6.12 1.47 -1.26 -5.05 116.67 117.74 1ap4 s ASP 2 Ca 0.00 0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.88 1ap4 s ASP 2 Cb 0.00 0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 1ap4 s ASP 2 CO 0.00 -0.25 0.53 -0.67 0.68 0.00 0.00 175.17 175.46 1ap4 n ASP 3 N 0.33 0.00 -0.02 2.11 -0.08 -1.26 -4.83 116.55 112.80 1ap4 n ASP 3 Ca -0.04 -1.16 -0.00 0.00 -1.51 0.00 0.00 54.79 52.08 1ap4 n ASP 3 Cb 0.59 -0.03 -0.00 0.00 2.34 0.00 0.00 41.12 44.01 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ap4 h ILE 4 N 3.66 0.00 -0.06 5.18 5.03 -1.99 -2.99 117.51 126.35 1ap4 h ILE 4 Ca 0.00 -0.50 0.02 0.00 -0.12 0.00 0.00 64.86 64.25 1ap4 h ILE 4 Cb 1.06 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1ap4 h ILE 4 CO 0.00 0.00 0.05 1.88 -0.68 0.00 0.00 178.15 179.40 1ap4 h TYR 5 N -0.51 0.00 -0.33 1.37 0.05 -2.00 -1.78 116.97 113.77 1ap4 h TYR 5 Ca -0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1ap4 h TYR 5 Cb 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1ap4 h TYR 5 CO 0.00 0.00 -0.08 0.87 -1.05 0.00 0.00 178.16 177.90 1ap4 h LYS 6 N 0.00 0.64 0.00 4.88 1.57 -1.88 -2.46 116.57 119.32 1ap4 h LYS 6 Ca 0.03 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ap4 h LYS 6 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ap4 h LYS 6 CO -0.00 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1ap4 n ALA 7 N -2.42 1.86 -0.01 3.86 0.00 -0.71 -2.56 120.51 120.52 1ap4 n ALA 7 Ca -0.02 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ap4 n ALA 7 Cb 0.33 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 2.42 -0.03 -0.04 0.00 0.00 -0.98 -2.58 119.26 118.04 1ap4 h ALA 8 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 1ap4 h ALA 8 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ap4 h ALA 8 CO 0.00 0.19 -0.51 0.28 0.00 0.00 0.00 179.25 179.21 1ap4 h VAL 9 N -0.62 1.36 0.00 0.00 2.07 -1.45 -2.81 116.25 114.80 1ap4 h VAL 9 Ca -0.07 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 1ap4 h VAL 9 Cb 1.30 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1ap4 h VAL 9 CO 0.08 0.51 -0.20 -0.33 0.02 0.00 0.00 177.57 177.65 1ap4 h GLU 10 N 0.08 0.00 -0.16 1.57 5.08 -1.59 -3.19 114.58 116.38 1ap4 h GLU 10 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1ap4 h GLU 10 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1ap4 h GLU 10 CO 0.07 0.20 -0.46 1.96 -1.00 0.00 0.00 179.01 179.78 1ap4 h GLN 11 N 0.00 0.39 -6.29 2.33 4.20 -1.18 -3.44 115.11 111.11 1ap4 h GLN 11 Ca -0.00 -0.21 -0.65 0.00 0.06 0.00 0.00 58.65 57.85 1ap4 h GLN 11 Cb 1.02 0.01 0.09 0.00 0.30 0.00 0.00 27.48 28.90 1ap4 h GLN 11 CO 0.03 0.77 0.07 1.28 -0.67 0.00 0.00 178.83 180.30 1ap4 n LEU 12 N -3.99 1.00 -4.84 1.46 4.77 -1.21 -4.92 117.00 109.27 1ap4 n LEU 12 Ca -0.02 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.81 1ap4 n LEU 12 Cb 0.53 -1.17 0.07 0.00 -2.33 0.00 0.00 43.42 40.52 1ap4 n LEU 12 CO 0.44 -1.68 0.73 0.42 -1.33 0.00 0.00 177.39 175.97 1ap4 s THR 13 N -0.58 3.20 0.06 -5.08 -4.23 -1.26 -4.92 115.64 102.83 1ap4 s THR 13 Ca 0.68 0.39 0.32 0.00 -1.18 0.00 0.00 61.69 61.90 1ap4 s THR 13 Cb -0.85 -3.23 0.35 0.00 1.34 0.00 0.00 72.50 70.10 1ap4 s THR 13 CO 0.55 -0.51 1.97 -0.33 -0.54 0.00 0.00 174.62 175.76 1ap4 h GLU 14 N -0.93 0.00 0.00 3.99 3.07 -1.96 -2.08 114.58 116.67 1ap4 h GLU 14 Ca -0.46 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.39 1ap4 h GLU 14 Cb 1.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1ap4 h GLU 14 CO 0.61 0.00 -0.06 1.05 -1.40 0.00 0.00 179.01 179.21 1ap4 h GLU 15 N 0.00 0.00 0.00 2.33 4.11 -1.99 -2.51 114.58 116.52 1ap4 h GLU 15 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ap4 h GLU 15 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ap4 h GLU 15 CO 0.00 0.06 -0.09 1.96 0.07 0.00 0.00 179.01 181.01 1ap4 h GLN 16 N 0.00 0.00 -0.13 1.06 4.20 -1.74 -3.11 115.11 115.39 1ap4 h GLN 16 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1ap4 h GLN 16 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1ap4 h GLN 16 CO 0.01 0.00 0.44 0.87 -0.67 0.00 0.00 178.83 179.48 1ap4 h LYS 17 N -0.42 0.00 0.02 1.46 1.57 -1.66 0.73 116.57 118.27 1ap4 h LYS 17 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1ap4 h LYS 17 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ap4 h LYS 17 CO 0.00 0.00 -0.37 -0.91 -0.57 0.00 0.00 179.45 177.60 1ap4 h ASN 18 N 0.00 0.30 0.35 0.86 4.21 -1.57 -2.89 115.58 116.85 1ap4 h ASN 18 Ca 0.06 -0.81 -0.18 0.00 1.21 0.00 0.00 56.30 56.58 1ap4 h ASN 18 Cb 0.95 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 1ap4 h ASN 18 CO -0.00 1.08 -0.73 -0.33 -1.29 0.00 0.00 177.43 176.16 1ap4 h GLU 19 N -0.44 0.32 -0.80 0.81 5.08 -0.92 -3.15 114.58 115.47 1ap4 h GLU 19 Ca -0.05 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1ap4 h GLU 19 Cb 1.15 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1ap4 h GLU 19 CO 0.07 0.91 0.39 0.74 -1.00 0.00 0.00 179.01 180.13 1ap4 h PHE 20 N 0.22 1.14 -0.09 4.33 -1.00 -1.04 -3.01 116.94 117.49 1ap4 h PHE 20 Ca -0.03 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.74 1ap4 h PHE 20 Cb 1.29 -0.36 -0.06 0.00 3.61 0.00 0.00 35.95 40.43 1ap4 h PHE 20 CO 0.04 0.83 -0.39 -0.22 -1.61 0.00 0.00 178.31 176.95 1ap4 h LYS 21 N 1.14 -0.47 -0.63 1.51 3.64 -1.46 0.26 116.57 120.55 1ap4 h LYS 21 Ca 0.28 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 1ap4 h LYS 21 Cb 0.11 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1ap4 h LYS 21 CO -0.04 -0.32 -0.48 0.00 -2.27 0.00 0.00 179.45 176.35 1ap4 h ALA 22 N 0.15 -0.55 -0.66 5.00 0.00 -1.63 0.59 119.26 122.17 1ap4 h ALA 22 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ap4 h ALA 22 Cb 0.61 1.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1ap4 h ALA 22 CO -0.36 -0.85 0.43 0.00 0.00 0.00 0.00 179.25 178.47 1ap4 h ALA 23 N 0.04 1.67 -0.75 0.00 0.00 -1.51 -2.07 119.26 116.64 1ap4 h ALA 23 Ca 0.10 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1ap4 h ALA 23 Cb 0.40 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.86 1ap4 h ALA 23 CO -0.66 0.26 0.11 0.35 0.00 0.00 0.00 179.25 179.30 1ap4 h PHE 24 N 0.75 0.15 0.00 0.00 3.04 0.38 1.41 116.94 122.67 1ap4 h PHE 24 Ca 0.27 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.27 1ap4 h PHE 24 Cb 0.12 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1ap4 h PHE 24 CO -0.00 -0.16 0.00 -0.25 -2.02 0.00 0.00 178.31 175.88 1ap4 n ASP 25 N -5.24 0.60 0.06 0.41 8.00 -0.78 -2.16 116.55 117.43 1ap4 n ASP 25 Ca 0.14 0.68 -0.09 0.00 0.71 0.00 0.00 54.79 56.24 1ap4 n ASP 25 Cb 0.48 -0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 40.66 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 1.55 0.01 0.53 1.08 0.19 -3.32 117.51 117.55 1ap4 h ILE 26 Ca 0.00 -3.25 -0.24 0.00 -0.39 0.00 0.00 64.86 60.98 1ap4 h ILE 26 Cb 0.25 2.80 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1ap4 h ILE 26 CO 0.00 0.90 -1.23 -0.26 -0.69 0.00 0.00 178.15 176.86 1ap4 h PHE 27 N 0.01 0.02 -0.37 1.37 0.04 -1.01 -3.28 116.94 113.72 1ap4 h PHE 27 Ca -0.07 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.48 1ap4 h PHE 27 Cb 1.84 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.88 1ap4 h PHE 27 CO 0.01 1.02 0.26 1.33 -0.60 0.00 0.00 178.31 180.33 1ap4 n VAL 28 N -3.26 1.93 -1.53 -0.55 0.24 -1.06 -4.83 118.33 109.27 1ap4 n VAL 28 Ca -0.06 -0.81 -0.23 0.00 -2.04 0.00 0.00 64.34 61.20 1ap4 n VAL 28 Cb 0.98 -0.88 -0.14 0.00 -1.47 0.00 0.00 33.84 32.33 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 -0.02 0.32 -1.36 1.34 4.77 -1.24 0.04 117.00 120.85 1ap4 n LEU 29 Ca 0.23 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 1ap4 n LEU 29 Cb 0.89 -1.09 0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1ap4 n LEU 29 CO 0.24 -1.79 0.01 0.61 -1.33 0.00 0.00 177.39 175.13 1ap4 n GLY 30 N 6.15 0.22 2.29 -0.72 0.00 -1.26 -5.02 105.19 106.85 1ap4 n GLY 30 Ca 0.57 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.55 -2.98 -0.01 4.61 0.00 0.11 -4.94 120.51 114.75 1ap4 n ALA 31 Ca -0.04 -1.09 -0.18 0.00 0.00 0.00 0.00 53.44 52.13 1ap4 n ALA 31 Cb 0.55 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 0.63 -0.16 0.00 4.39 -1.90 -3.39 114.58 114.15 1ap4 h GLU 32 Ca -0.28 -0.57 -0.20 0.00 0.34 0.00 0.00 59.36 58.66 1ap4 h GLU 32 Cb 0.89 0.14 -0.36 0.00 -0.10 0.00 0.00 28.75 29.32 1ap4 h GLU 32 CO 0.17 1.18 -0.95 -0.40 -1.16 0.00 0.00 179.01 177.85 1ap4 n ASP 33 N -4.06 0.87 -2.29 1.42 5.75 -1.26 -5.00 116.55 111.98 1ap4 n ASP 33 Ca -0.09 -2.02 -0.07 0.00 -0.01 0.00 0.00 54.79 52.60 1ap4 n ASP 33 Cb 0.72 -0.25 0.03 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.09 -0.03 3.15 6.12 0.00 -1.26 -5.06 105.19 108.02 1ap4 n GLY 34 Ca 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.75 4.10 1.10 0.00 1.01 -1.08 -4.15 121.20 118.43 1ap4 s ILE 36 Ca 0.12 -1.87 -0.14 0.00 0.00 0.00 0.00 60.65 58.76 1ap4 s ILE 36 Cb 0.06 -3.71 0.24 0.00 0.01 0.00 0.00 42.46 39.06 1ap4 s ILE 36 CO -0.05 -0.77 1.07 -0.94 0.00 0.00 0.00 174.94 174.25 1ap4 s SER 37 N 2.50 1.71 0.20 3.58 1.04 -1.26 -1.18 113.70 120.29 1ap4 s SER 37 Ca 0.07 1.14 0.25 0.00 0.48 0.00 0.00 55.95 57.89 1ap4 s SER 37 Cb -0.25 -1.76 0.61 0.00 0.10 0.00 0.00 66.02 64.71 1ap4 s SER 37 CO -0.01 -3.69 1.61 0.00 0.98 0.00 0.00 173.24 172.12 1ap4 h THR 38 N -2.28 0.00 -0.42 2.02 1.03 -1.92 -3.01 112.91 108.33 1ap4 h THR 38 Ca -0.55 -0.54 -0.12 0.00 -0.01 0.00 0.00 66.41 65.19 1ap4 h THR 38 Cb 1.33 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 1ap4 h THR 38 CO 0.52 0.00 -0.21 0.50 -0.01 0.00 0.00 175.52 176.32 1ap4 h LYS 39 N 0.00 0.84 0.00 0.00 3.64 -1.94 -3.12 116.57 115.99 1ap4 h LYS 39 Ca 0.00 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1ap4 h LYS 39 Cb 0.77 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1ap4 h LYS 39 CO 0.00 0.97 -1.29 0.39 -2.27 0.00 0.00 179.45 177.25 1ap4 n GLU 40 N -4.12 0.62 -0.26 1.90 -0.58 -1.24 -4.22 120.64 112.74 1ap4 n GLU 40 Ca 0.00 0.04 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1ap4 n GLU 40 Cb 0.43 -1.74 0.21 0.00 -0.57 0.00 0.00 31.44 29.77 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ap4 h LEU 41 N 0.00 0.02 -0.70 -4.62 3.38 -1.45 -0.58 115.31 111.36 1ap4 h LEU 41 Ca -0.01 0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1ap4 h LEU 41 Cb 1.02 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 1ap4 h LEU 41 CO 0.00 -0.06 -0.44 1.23 0.09 0.00 0.00 178.44 179.26 1ap4 h GLY 42 N 0.26 -0.40 1.55 0.83 0.00 -1.73 0.88 103.07 104.45 1ap4 h GLY 42 Ca 0.45 0.58 -0.08 0.00 0.00 0.00 0.00 47.33 48.29 1ap4 h GLY 42 CO -0.55 -0.14 -0.12 0.50 0.00 0.00 0.00 176.54 176.23 1ap4 h LYS 43 N -0.16 0.55 -0.60 4.80 1.57 -1.44 -2.75 116.57 118.53 1ap4 h LYS 43 Ca 0.21 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1ap4 h LYS 43 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1ap4 h LYS 43 CO -0.77 0.66 0.27 0.28 -0.57 0.00 0.00 179.45 179.33 1ap4 h VAL 44 N 0.50 1.22 -0.45 0.50 2.07 0.14 -2.33 116.25 117.90 1ap4 h VAL 44 Ca 0.09 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1ap4 h VAL 44 Cb 0.51 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ap4 h VAL 44 CO 0.03 0.26 0.30 0.24 0.02 0.00 0.00 177.57 178.42 1ap4 h MET 45 N 0.83 0.54 0.00 1.57 2.86 0.77 -0.89 114.93 120.61 1ap4 h MET 45 Ca 0.21 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1ap4 h MET 45 Cb 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1ap4 h MET 45 CO -0.02 0.36 -0.26 0.00 1.06 0.00 0.00 176.91 178.04 1ap4 h ARG 46 N 0.55 0.00 0.23 1.72 3.08 -1.12 0.94 114.38 119.78 1ap4 h ARG 46 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1ap4 h ARG 46 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ap4 h ARG 46 CO -0.04 0.26 -0.11 0.52 -1.07 0.00 0.00 179.97 179.53 1ap4 h MET 47 N 0.00 -0.29 -0.63 0.04 2.86 -1.04 -3.26 114.93 112.61 1ap4 h MET 47 Ca -0.00 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1ap4 h MET 47 Cb 0.48 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 1ap4 h MET 47 CO 0.03 -0.19 -0.01 -0.07 1.06 0.00 0.00 176.91 177.72 1ap4 h LEU 48 N -0.41 -0.31 0.00 1.22 3.38 -1.58 -3.44 115.31 114.17 1ap4 h LEU 48 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ap4 h LEU 48 Cb 0.23 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ap4 h LEU 48 CO 0.05 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1ap4 n GLY 49 N -1.38 0.00 3.39 0.83 0.00 -0.89 -5.15 105.19 101.99 1ap4 n GLY 49 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 1.44 -0.43 1.61 -0.21 0.32 -4.98 119.66 117.40 1ap4 s GLN 50 Ca 0.00 -1.58 0.09 0.00 0.02 0.00 0.00 55.36 53.89 1ap4 s GLN 50 Cb 0.00 -1.46 0.29 0.00 1.00 0.00 0.00 33.01 32.84 1ap4 s GLN 50 CO 0.00 0.28 0.66 -1.71 -2.12 0.00 0.00 175.29 172.40 1ap4 n ASN 51 N -0.16 1.26 -4.79 5.90 4.05 -1.26 -2.52 115.26 117.74 1ap4 n ASN 51 Ca -0.09 -2.99 -0.36 0.00 0.45 0.00 0.00 54.58 51.59 1ap4 n ASN 51 Cb 0.59 -0.63 -0.04 0.00 1.23 0.00 0.00 39.78 40.93 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1ap4 s PRO 52 N -2.01 4.02 1.00 1.20 0.04 -1.26 -5.05 135.00 132.94 1ap4 s PRO 52 Ca 0.39 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1ap4 s PRO 52 Cb 0.24 -2.39 0.22 0.00 0.04 0.00 0.00 34.50 32.61 1ap4 s PRO 52 CO -0.09 -0.26 1.33 0.95 0.04 0.00 0.00 177.00 178.97 1ap4 s THR 53 N -1.75 1.97 0.05 1.26 -4.23 -1.26 -4.90 115.64 106.77 1ap4 s THR 53 Ca 0.61 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.95 1ap4 s THR 53 Cb -0.21 -2.96 -0.17 0.00 1.34 0.00 0.00 72.50 70.50 1ap4 s THR 53 CO 0.26 0.00 1.25 1.55 -0.54 0.00 0.00 174.62 177.13 1ap4 h PRO 54 N -1.79 0.55 0.00 3.99 0.13 -2.01 -2.82 132.00 130.06 1ap4 h PRO 54 Ca -0.44 -0.44 -0.10 0.00 -0.87 0.00 0.00 66.00 64.15 1ap4 h PRO 54 Cb 1.23 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1ap4 h PRO 54 CO 0.34 1.06 -0.50 1.49 -0.23 0.00 0.00 178.00 180.17 1ap4 h GLU 55 N 0.17 0.00 -0.04 0.86 4.81 -2.02 -3.09 114.58 115.27 1ap4 h GLU 55 Ca -0.03 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1ap4 h GLU 55 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1ap4 h GLU 55 CO 0.11 0.50 -0.58 0.93 -0.73 0.00 0.00 179.01 179.24 1ap4 h GLU 56 N 0.00 0.13 0.00 1.92 4.39 -1.93 -3.09 114.58 116.01 1ap4 h GLU 56 Ca -0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ap4 h GLU 56 Cb 1.10 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ap4 h GLU 56 CO 0.06 0.67 0.00 1.28 -1.16 0.00 0.00 179.01 179.87 1ap4 n LEU 57 N -3.88 0.20 -0.20 1.33 4.32 -1.07 -1.65 117.00 116.06 1ap4 n LEU 57 Ca -0.02 0.59 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1ap4 n LEU 57 Cb 0.59 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 42.19 1ap4 n LEU 57 CO 0.43 -0.14 0.49 -0.61 -1.22 0.00 0.00 177.39 176.34 1ap4 h GLN 58 N 0.00 -0.07 -0.97 3.23 5.75 -1.71 0.34 115.11 121.68 1ap4 h GLN 58 Ca 0.00 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.83 1ap4 h GLN 58 Cb 0.00 0.02 -0.17 0.00 1.07 0.00 0.00 27.48 28.40 1ap4 h GLN 58 CO 0.00 -0.05 0.38 1.49 -2.65 0.00 0.00 178.83 178.00 1ap4 h GLU 59 N -0.08 0.12 0.00 1.69 4.81 -1.65 2.40 114.58 121.87 1ap4 h GLU 59 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ap4 h GLU 59 Cb 0.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ap4 h GLU 59 CO -0.50 0.08 0.00 0.52 -0.73 0.00 0.00 179.01 178.38 1ap4 h MET 60 N 0.12 0.00 0.00 1.92 2.86 0.53 -3.25 114.93 117.11 1ap4 h MET 60 Ca 0.71 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 58.01 1ap4 h MET 60 Cb 1.67 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.27 1ap4 h MET 60 CO -0.74 0.00 -2.27 -0.89 1.06 0.00 0.00 176.91 174.07 1ap4 n ILE 61 N -2.85 1.27 0.37 -1.22 5.41 0.68 -3.95 119.36 119.07 1ap4 n ILE 61 Ca 0.03 -0.79 0.05 0.00 1.00 0.00 0.00 62.75 63.04 1ap4 n ILE 61 Cb 0.40 -0.51 0.22 0.00 -0.71 0.00 0.00 39.64 39.04 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 -2.69 0.00 -0.20 4.38 2.03 0.53 -1.79 116.55 118.82 1ap4 n ASP 62 Ca -0.30 0.42 0.03 0.00 0.52 0.00 0.00 54.79 55.45 1ap4 n ASP 62 Cb 1.10 -0.45 0.02 0.00 -0.72 0.00 0.00 41.12 41.07 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 63 N -1.45 0.67 -0.03 -0.67 1.02 -1.24 -4.60 120.64 114.34 1ap4 n GLU 63 Ca 0.03 -0.71 0.02 0.00 -0.02 0.00 0.00 57.16 56.47 1ap4 n GLU 63 Cb 0.11 -1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ap4 n VAL 64 N 0.10 0.32 -1.60 2.62 3.14 -0.74 -4.92 118.33 117.25 1ap4 n VAL 64 Ca 0.03 -0.37 -0.40 0.00 -2.96 0.00 0.00 64.34 60.63 1ap4 n VAL 64 Cb 0.13 -0.14 -0.03 0.00 -1.06 0.00 0.00 33.84 32.74 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 -3.85 5.08 0.15 6.55 2.15 -0.88 -4.79 116.67 121.08 1ap4 s ASP 65 Ca -0.05 1.57 0.24 0.00 0.43 0.00 0.00 52.55 54.74 1ap4 s ASP 65 Cb 0.06 -2.51 0.91 0.00 -0.30 0.00 0.00 42.92 41.09 1ap4 s ASP 65 CO 0.51 -2.31 1.73 1.21 -0.17 0.00 0.00 175.17 176.14 1ap4 n GLU 66 N 8.86 0.15 0.00 4.34 2.13 -1.26 -3.49 120.64 131.37 1ap4 n GLU 66 Ca 0.32 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1ap4 n GLU 66 Cb 0.49 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.48 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 -1.98 2.40 -0.75 4.31 5.68 -1.26 -5.01 116.55 119.93 1ap4 n ASP 67 Ca 0.04 -0.18 -0.07 0.00 -0.50 0.00 0.00 54.79 54.08 1ap4 n ASP 67 Cb 0.30 0.85 -0.00 0.00 -1.14 0.00 0.00 41.12 41.12 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 1.57 0.11 0.30 6.12 0.00 -1.23 -4.88 105.19 107.17 1ap4 n GLY 68 Ca 0.00 -0.61 0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.45 113.55 114.40 1ap4 h SER 69 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ap4 h SER 69 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ap4 h SER 69 CO 0.19 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1ap4 n GLY 70 N -0.98 2.78 2.87 -0.77 0.00 -1.26 -5.03 105.19 102.80 1ap4 n GLY 70 Ca -0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1ap4 n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ap4 n THR 71 N 0.00 0.00 -3.73 2.61 -2.24 -1.26 -4.56 114.28 105.10 1ap4 n THR 71 Ca 0.00 -1.68 -0.38 0.00 -2.27 0.00 0.00 64.05 59.72 1ap4 n THR 71 Cb 0.00 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.04 1ap4 n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ap4 s VAL 72 N -2.11 3.94 0.50 2.28 1.01 -0.32 -4.93 120.40 120.75 1ap4 s VAL 72 Ca 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ap4 s VAL 72 Cb -0.02 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ap4 s VAL 72 CO 0.13 -0.12 0.72 -0.62 0.00 0.00 0.00 175.10 175.22 1ap4 s ASP 73 N 1.45 5.61 0.31 3.32 -1.08 -1.26 -2.62 116.67 122.40 1ap4 s ASP 73 Ca -0.00 0.20 0.06 0.00 -0.52 0.00 0.00 52.55 52.29 1ap4 s ASP 73 Cb -0.19 -1.30 0.83 0.00 -1.46 0.00 0.00 42.92 40.80 1ap4 s ASP 73 CO 0.03 -0.89 1.64 0.15 0.52 0.00 0.00 175.17 176.63 1ap4 h PHE 74 N 0.24 0.48 0.55 -5.34 3.57 -1.97 2.00 116.94 116.48 1ap4 h PHE 74 Ca -0.45 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1ap4 h PHE 74 Cb 1.27 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.95 1ap4 h PHE 74 CO 0.42 -0.23 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.57 1ap4 h ASP 75 N 0.21 -0.62 -0.16 0.41 3.32 -2.01 -2.71 116.42 114.86 1ap4 h ASP 75 Ca 0.61 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.55 1ap4 h ASP 75 Cb 1.31 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1ap4 h ASP 75 CO -0.67 -0.43 -0.39 -0.33 -1.72 0.00 0.00 179.24 175.71 1ap4 h GLU 76 N -0.76 0.55 -1.01 3.56 5.08 -1.33 -3.15 114.58 117.51 1ap4 h GLU 76 Ca -0.08 -0.37 0.34 0.00 -1.00 0.00 0.00 59.36 58.25 1ap4 h GLU 76 Cb 0.58 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.73 1ap4 h GLU 76 CO 0.12 0.99 0.57 0.35 -1.00 0.00 0.00 179.01 180.04 1ap4 h PHE 77 N 0.19 0.91 0.55 4.33 3.57 0.31 0.02 116.94 126.82 1ap4 h PHE 77 Ca -0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1ap4 h PHE 77 Cb 1.00 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.50 1ap4 h PHE 77 CO 0.10 -0.22 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.62 1ap4 h LEU 78 N 0.27 -0.63 -0.95 0.59 3.38 -1.44 -2.71 115.31 113.82 1ap4 h LEU 78 Ca 0.75 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.99 1ap4 h LEU 78 Cb 1.77 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 42.56 1ap4 h LEU 78 CO -0.63 -0.23 0.49 0.58 0.09 0.00 0.00 178.44 178.75 1ap4 h VAL 79 N -1.18 0.47 -0.87 1.22 2.07 -1.27 0.49 116.25 117.17 1ap4 h VAL 79 Ca -0.08 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ap4 h VAL 79 Cb 0.57 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 1ap4 h VAL 79 CO 0.12 0.08 0.57 -0.03 0.02 0.00 0.00 177.57 178.33 1ap4 h MET 80 N 0.45 1.07 0.58 1.57 4.05 -1.02 0.61 114.93 122.24 1ap4 h MET 80 Ca 0.62 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.94 1ap4 h MET 80 Cb 1.21 -0.24 0.01 0.00 -0.80 0.00 0.00 31.60 31.78 1ap4 h MET 80 CO -0.52 0.71 -0.28 0.52 0.23 0.00 0.00 176.91 177.57 1ap4 h MET 81 N 1.11 -0.75 -0.94 0.39 2.07 0.28 -1.74 114.93 115.35 1ap4 h MET 81 Ca 0.35 0.05 0.21 0.00 -2.07 0.00 0.00 59.70 58.24 1ap4 h MET 81 Cb -0.01 0.17 -0.12 0.00 -1.87 0.00 0.00 31.60 29.77 1ap4 h MET 81 CO -0.11 -0.50 0.50 -0.24 1.07 0.00 0.00 176.91 177.63 1ap4 h VAL 82 N -0.95 0.58 0.00 -2.22 3.04 -1.22 0.80 116.25 116.29 1ap4 h VAL 82 Ca -0.08 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1ap4 h VAL 82 Cb 0.59 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 1ap4 h VAL 82 CO 0.13 0.10 0.00 0.03 -1.01 0.00 0.00 177.57 176.82 1ap4 h ARG 83 N 0.57 0.00 0.00 4.17 3.08 -0.80 0.19 114.38 121.59 1ap4 h ARG 83 Ca 0.57 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.34 1ap4 h ARG 83 Cb 1.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 1ap4 h ARG 83 CO -0.45 0.00 -1.96 0.00 -1.07 0.00 0.00 179.97 176.48 1ap4 n MET 85 N -2.83 0.31 -3.87 0.00 0.00 0.19 -4.74 117.12 106.18 1ap4 n MET 85 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.14 1ap4 n MET 85 Cb 1.02 -1.60 -0.13 0.00 0.00 0.00 0.00 33.22 32.51 1ap4 n MET 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1ap4 s LYS 86 N -3.21 2.05 -0.16 3.17 2.47 0.04 -4.96 119.74 119.14 1ap4 s LYS 86 Ca 0.03 -1.64 -0.13 0.00 -1.56 0.00 0.00 55.97 52.67 1ap4 s LYS 86 Cb 0.14 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 33.09 1ap4 s LYS 86 CO 0.80 -0.89 -0.23 -0.25 0.16 0.00 0.00 175.35 174.94 1ap4 n ASP 87 N 4.54 1.86 -4.38 1.43 9.92 -1.26 -4.73 116.55 123.93 1ap4 n ASP 87 Ca -0.05 0.52 -0.18 0.00 -0.53 0.00 0.00 54.79 54.55 1ap4 n ASP 87 Cb 0.42 -0.83 0.08 0.00 -0.64 0.00 0.00 41.12 40.15 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ap4 n ASP 88 N -4.55 1.51 0.00 -2.24 2.03 -1.26 -5.17 116.55 106.88 1ap4 n ASP 88 Ca -0.11 -2.17 0.00 0.00 0.52 0.00 0.00 54.79 53.03 1ap4 n ASP 88 Cb 0.38 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74