#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 -0.98 -0.46 6.12 -0.08 -1.26 -4.97 116.55 114.91 1ap4 n ASP 2 Ca 0.00 -1.69 0.04 0.00 -1.51 0.00 0.00 54.79 51.64 1ap4 n ASP 2 Cb 0.00 0.65 0.10 0.00 2.34 0.00 0.00 41.12 44.21 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 -0.58 2.44 0.26 1.67 9.92 -1.26 -4.67 116.55 124.33 1ap4 n ASP 3 Ca -0.14 -1.81 -0.14 0.00 -0.53 0.00 0.00 54.79 52.17 1ap4 n ASP 3 Cb 0.68 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.96 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 1.65 0.00 0.00 0.53 2.04 -2.01 -2.18 117.51 117.54 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 0.59 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1ap4 h ILE 4 CO 0.00 0.00 -0.10 1.88 0.00 0.00 0.00 178.15 179.93 1ap4 h TYR 5 N -0.79 0.00 0.00 1.37 -1.99 -2.02 -1.18 116.97 112.36 1ap4 h TYR 5 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1ap4 h TYR 5 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1ap4 h TYR 5 CO -0.13 0.10 0.00 0.87 -0.00 0.00 0.00 178.16 179.01 1ap4 h LYS 6 N 0.00 0.00 0.16 4.88 1.57 -1.68 -2.65 116.57 118.86 1ap4 h LYS 6 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1ap4 h LYS 6 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ap4 h LYS 6 CO 0.01 0.00 -1.87 0.00 -0.57 0.00 0.00 179.45 177.03 1ap4 h ALA 7 N 2.11 0.28 -0.34 3.86 0.00 -0.75 -3.31 119.26 121.11 1ap4 h ALA 7 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 54.91 53.67 1ap4 h ALA 7 Cb 0.23 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ap4 h ALA 7 CO 0.00 1.16 0.19 0.00 0.00 0.00 0.00 179.25 180.59 1ap4 h ALA 8 N 0.09 0.42 0.28 0.00 0.00 -1.50 0.25 119.26 118.81 1ap4 h ALA 8 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ap4 h ALA 8 Cb 2.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1ap4 h ALA 8 CO 0.14 -0.17 -0.46 0.28 0.00 0.00 0.00 179.25 179.03 1ap4 h VAL 9 N 0.39 0.09 -0.31 0.00 2.07 -1.68 -1.68 116.25 115.13 1ap4 h VAL 9 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1ap4 h VAL 9 Cb 0.02 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1ap4 h VAL 9 CO -0.07 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.51 1ap4 h GLU 10 N -0.81 0.45 -0.91 1.57 4.22 -1.62 -2.30 114.58 115.17 1ap4 h GLU 10 Ca -0.02 -0.07 0.13 0.00 0.08 0.00 0.00 59.36 59.48 1ap4 h GLU 10 Cb 0.76 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1ap4 h GLU 10 CO -0.17 0.42 0.59 1.96 -2.18 0.00 0.00 179.01 179.62 1ap4 h GLN 11 N 0.44 0.78 -6.20 1.92 7.50 0.41 -3.43 115.11 116.54 1ap4 h GLN 11 Ca 0.11 -0.05 -0.59 0.00 0.50 0.00 0.00 58.65 58.62 1ap4 h GLN 11 Cb 0.17 -0.18 0.18 0.00 0.05 0.00 0.00 27.48 27.71 1ap4 h GLN 11 CO -0.00 0.52 -0.92 1.28 -1.50 0.00 0.00 178.83 178.20 1ap4 n LEU 12 N -4.57 -2.17 -4.75 1.46 4.77 -0.87 -4.88 117.00 105.98 1ap4 n LEU 12 Ca 0.17 0.64 -0.31 0.00 -0.03 0.00 0.00 56.01 56.48 1ap4 n LEU 12 Cb 0.40 -0.97 0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1ap4 n LEU 12 CO 0.29 -4.24 0.70 0.42 -1.33 0.00 0.00 177.39 173.24 1ap4 s THR 13 N -1.91 3.12 0.15 -5.08 -4.23 -1.26 -4.85 115.64 101.58 1ap4 s THR 13 Ca 0.60 0.38 -0.17 0.00 -1.18 0.00 0.00 61.69 61.32 1ap4 s THR 13 Cb -0.45 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.61 1ap4 s THR 13 CO 0.63 -0.46 1.73 -0.33 -0.54 0.00 0.00 174.62 175.65 1ap4 h GLU 14 N -1.12 0.17 -0.68 3.99 3.07 -1.92 -1.55 114.58 116.55 1ap4 h GLU 14 Ca -0.44 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.44 1ap4 h GLU 14 Cb 1.24 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 1ap4 h GLU 14 CO 0.50 0.12 0.45 1.05 -1.40 0.00 0.00 179.01 179.72 1ap4 h GLU 15 N 0.18 0.79 0.00 2.33 4.11 -1.97 -1.24 114.58 118.78 1ap4 h GLU 15 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1ap4 h GLU 15 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ap4 h GLU 15 CO -0.20 0.52 0.00 0.94 0.07 0.00 0.00 179.01 180.34 1ap4 n GLN 16 N -4.46 0.00 -0.02 1.06 -0.06 -0.59 0.13 117.38 113.44 1ap4 n GLN 16 Ca 0.08 0.57 0.14 0.00 -2.00 0.00 0.00 57.00 55.80 1ap4 n GLN 16 Cb 0.13 -1.44 0.58 0.00 -4.06 0.00 0.00 30.24 25.44 1ap4 n GLN 16 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 1ap4 h LYS 17 N 0.00 0.22 -0.08 3.69 2.10 -1.51 0.08 116.57 121.07 1ap4 h LYS 17 Ca 0.00 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 1ap4 h LYS 17 Cb 0.00 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1ap4 h LYS 17 CO 0.00 0.14 -0.39 -0.91 -2.00 0.00 0.00 179.45 176.30 1ap4 h ASN 18 N 0.22 0.17 -0.20 7.07 2.35 -0.82 -2.94 115.58 121.43 1ap4 h ASN 18 Ca 0.24 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1ap4 h ASN 18 Cb 0.64 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1ap4 h ASN 18 CO -0.04 0.54 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.66 1ap4 h GLU 19 N 0.14 0.55 0.00 0.81 4.39 0.17 -2.99 114.58 117.65 1ap4 h GLU 19 Ca 0.01 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.38 1ap4 h GLU 19 Cb 0.75 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1ap4 h GLU 19 CO 0.06 0.92 -0.03 0.74 -1.16 0.00 0.00 179.01 179.54 1ap4 h PHE 20 N 0.22 0.00 0.04 4.33 0.04 -1.43 -2.99 116.94 117.16 1ap4 h PHE 20 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ap4 h PHE 20 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1ap4 h PHE 20 CO 0.09 0.03 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.59 1ap4 h LYS 21 N 0.00 -0.05 0.51 1.51 3.64 -1.36 0.34 116.57 121.15 1ap4 h LYS 21 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ap4 h LYS 21 Cb 0.27 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1ap4 h LYS 21 CO 0.00 0.24 -0.45 0.00 -2.27 0.00 0.00 179.45 176.97 1ap4 h ALA 22 N 0.59 -1.04 -0.84 5.00 0.00 -1.59 -2.22 119.26 119.15 1ap4 h ALA 22 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ap4 h ALA 22 Cb 0.32 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1ap4 h ALA 22 CO 0.01 -1.12 0.44 0.00 0.00 0.00 0.00 179.25 178.58 1ap4 h ALA 23 N -0.72 1.18 -1.01 0.00 0.00 -1.61 -2.26 119.26 114.85 1ap4 h ALA 23 Ca -0.06 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.95 1ap4 h ALA 23 Cb 0.83 -0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1ap4 h ALA 23 CO -0.03 0.64 0.61 0.35 0.00 0.00 0.00 179.25 180.81 1ap4 h PHE 24 N 1.19 1.00 0.00 0.00 3.04 0.10 0.90 116.94 123.16 1ap4 h PHE 24 Ca 0.29 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1ap4 h PHE 24 Cb 0.07 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1ap4 h PHE 24 CO 0.01 0.10 0.00 -0.44 -2.02 0.00 0.00 178.31 175.96 1ap4 h ASP 25 N 0.61 0.00 0.27 0.41 5.19 -0.81 -3.11 116.42 118.97 1ap4 h ASP 25 Ca 0.63 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.75 1ap4 h ASP 25 Cb 1.18 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.71 1ap4 h ASP 25 CO -0.44 0.00 -1.21 0.40 -3.12 0.00 0.00 179.24 174.87 1ap4 h ILE 26 N 0.00 1.34 -0.18 0.35 2.04 0.85 -3.04 117.51 118.87 1ap4 h ILE 26 Ca 0.00 -2.59 -0.14 0.00 1.00 0.00 0.00 64.86 63.13 1ap4 h ILE 26 Cb 0.48 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 1ap4 h ILE 26 CO 0.00 0.78 -0.47 -0.26 0.00 0.00 0.00 178.15 178.20 1ap4 h PHE 27 N 0.22 0.57 -0.03 1.37 0.04 -1.45 -2.56 116.94 115.09 1ap4 h PHE 27 Ca -0.17 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ap4 h PHE 27 Cb 1.89 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.92 1ap4 h PHE 27 CO 0.10 0.85 0.00 1.33 -0.60 0.00 0.00 178.31 179.99 1ap4 n VAL 28 N -3.99 0.04 -0.33 -0.55 0.24 -1.21 -4.04 118.33 108.50 1ap4 n VAL 28 Ca -0.02 -0.08 0.25 0.00 -2.04 0.00 0.00 64.34 62.44 1ap4 n VAL 28 Cb 0.55 -0.14 0.54 0.00 -1.47 0.00 0.00 33.84 33.31 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 0.58 0.40 -3.19 1.34 3.38 -1.33 0.39 115.31 116.88 1ap4 h LEU 29 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ap4 h LEU 29 Cb 0.13 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ap4 h LEU 29 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1ap4 n GLY 30 N -1.49 4.09 0.73 0.83 0.00 -1.26 -5.02 105.19 103.07 1ap4 n GLY 30 Ca 0.26 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.61 -0.75 -0.04 4.61 0.00 0.14 -5.01 120.51 118.85 1ap4 n ALA 31 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1ap4 n ALA 31 Cb 0.81 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.26 2.41 0.00 0.00 1.02 -1.26 -4.74 120.64 115.81 1ap4 n GLU 32 Ca 0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1ap4 n GLU 32 Cb 0.12 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 33 N -2.34 0.78 -0.30 1.62 5.68 -1.26 -5.02 116.55 115.71 1ap4 n ASP 33 Ca -0.12 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1ap4 n ASP 33 Cb 0.72 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 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 -0.15 0.91 3.20 6.12 0.00 -1.26 -5.13 105.19 108.88 1ap4 n GLY 34 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.56 5.28 1.09 0.00 1.01 -0.62 -4.26 121.20 121.14 1ap4 s ILE 36 Ca -0.05 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.60 1ap4 s ILE 36 Cb -0.01 -4.48 0.24 0.00 0.01 0.00 0.00 42.46 38.22 1ap4 s ILE 36 CO -0.04 -1.06 1.06 -0.55 0.00 0.00 0.00 174.94 174.36 1ap4 s SER 37 N 2.93 1.59 0.19 3.58 0.15 -1.26 -1.23 113.70 119.66 1ap4 s SER 37 Ca 0.15 1.71 -0.08 0.00 0.70 0.00 0.00 55.95 58.43 1ap4 s SER 37 Cb -0.17 -2.38 0.10 0.00 -1.71 0.00 0.00 66.02 61.86 1ap4 s SER 37 CO -0.04 -3.85 1.67 0.00 1.20 0.00 0.00 173.24 172.22 1ap4 h THR 38 N -2.38 1.26 -1.33 6.45 1.03 -1.96 -2.44 112.91 113.55 1ap4 h THR 38 Ca -0.56 -1.11 0.39 0.00 -0.01 0.00 0.00 66.41 65.12 1ap4 h THR 38 Cb 1.31 0.73 -0.07 0.00 -1.07 0.00 0.00 68.15 69.06 1ap4 h THR 38 CO 0.48 0.41 0.94 0.11 -0.01 0.00 0.00 175.52 177.44 1ap4 h LYS 39 N 1.00 0.06 0.00 0.00 1.79 -1.93 0.74 116.57 118.23 1ap4 h LYS 39 Ca 0.18 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1ap4 h LYS 39 Cb 0.51 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1ap4 h LYS 39 CO 0.02 0.04 -1.44 -1.91 -1.08 0.00 0.00 179.45 175.08 1ap4 n GLU 40 N -4.24 0.37 -0.12 3.15 2.13 -1.00 -4.50 120.64 116.43 1ap4 n GLU 40 Ca 0.30 -0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 1ap4 n GLU 40 Cb 1.36 -1.54 -0.09 0.00 0.27 0.00 0.00 31.44 31.44 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 -1.74 -0.66 4.31 7.12 0.97 0.88 115.31 126.20 1ap4 h LEU 41 Ca 0.00 0.23 0.13 0.00 0.13 0.00 0.00 57.88 58.37 1ap4 h LEU 41 Cb 0.79 0.71 -0.12 0.00 -0.53 0.00 0.00 40.66 41.50 1ap4 h LEU 41 CO 0.00 -0.38 -0.14 1.23 -0.13 0.00 0.00 178.44 179.02 1ap4 h GLY 42 N -0.38 0.51 1.47 3.75 0.00 -1.79 0.71 103.07 107.34 1ap4 h GLY 42 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1ap4 h GLY 42 CO -0.55 -0.25 0.20 0.50 0.00 0.00 0.00 176.54 176.44 1ap4 h LYS 43 N 0.01 0.68 0.38 4.80 1.79 -1.13 0.13 116.57 123.24 1ap4 h LYS 43 Ca 0.32 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1ap4 h LYS 43 Cb 0.50 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1ap4 h LYS 43 CO -0.66 0.56 -0.18 0.28 -1.08 0.00 0.00 179.45 178.36 1ap4 h VAL 44 N 0.68 0.62 0.00 0.50 2.07 0.67 -1.62 116.25 119.18 1ap4 h VAL 44 Ca 0.17 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ap4 h VAL 44 Cb 0.13 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ap4 h VAL 44 CO -0.02 0.06 0.00 0.23 0.02 0.00 0.00 177.57 177.86 1ap4 n MET 45 N -5.24 0.13 0.00 1.57 2.81 0.21 -1.64 117.12 114.97 1ap4 n MET 45 Ca -0.10 0.39 -0.17 0.00 -1.81 0.00 0.00 57.70 56.00 1ap4 n MET 45 Cb 0.26 -1.76 -0.12 0.00 -0.71 0.00 0.00 33.22 30.89 1ap4 n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ap4 h ARG 46 N 0.00 0.31 0.00 0.03 2.47 -0.04 0.29 114.38 117.43 1ap4 h ARG 46 Ca 0.00 -0.37 -0.03 0.00 -1.26 0.00 0.00 59.98 58.32 1ap4 h ARG 46 Cb 0.30 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1ap4 h ARG 46 CO 0.00 1.08 -0.33 0.00 0.56 0.00 0.00 179.97 181.29 1ap4 h MET 47 N -0.31 0.00 0.00 0.04 -0.00 -1.12 -3.20 114.93 110.34 1ap4 h MET 47 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1ap4 h MET 47 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.89 1ap4 h MET 47 CO 0.10 0.14 -0.04 -0.07 -0.00 0.00 0.00 176.91 177.04 1ap4 h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.38 -3.46 115.31 113.76 1ap4 h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ap4 h LEU 48 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ap4 h LEU 48 CO 0.02 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1ap4 n GLY 49 N 0.03 1.35 3.91 0.83 0.00 -1.20 -5.08 105.19 105.03 1ap4 n GLY 49 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 2.46 -0.40 1.61 -1.52 0.10 -5.03 119.66 116.56 1ap4 s GLN 50 Ca 0.00 -1.64 0.09 0.00 -1.95 0.00 0.00 55.36 51.86 1ap4 s GLN 50 Cb 0.00 -2.37 0.28 0.00 -0.22 0.00 0.00 33.01 30.70 1ap4 s GLN 50 CO 0.00 -0.36 0.64 0.09 -0.25 0.00 0.00 175.29 175.42 1ap4 n ASN 51 N -1.68 -0.14 -4.73 5.90 3.02 -1.26 -4.14 115.26 112.23 1ap4 n ASN 51 Ca 0.04 -2.89 -0.29 0.00 -0.03 0.00 0.00 54.58 51.41 1ap4 n ASN 51 Cb 0.62 -0.23 0.15 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.21 0.95 0.40 3.52 0.04 -1.26 -5.05 135.00 132.38 1ap4 s PRO 52 Ca 0.35 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.91 1ap4 s PRO 52 Cb 0.23 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.96 1ap4 s PRO 52 CO -0.12 -2.37 0.59 0.95 0.04 0.00 0.00 177.00 176.09 1ap4 s THR 53 N -3.08 4.20 0.13 1.26 -4.23 -1.26 -4.99 115.64 107.67 1ap4 s THR 53 Ca 0.64 -0.65 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1ap4 s THR 53 Cb -0.17 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.32 1ap4 s THR 53 CO 0.56 -0.31 1.75 1.55 -0.54 0.00 0.00 174.62 177.62 1ap4 h PRO 54 N 0.60 0.00 0.00 3.99 0.13 -2.02 -2.75 132.00 131.95 1ap4 h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.57 0.32 -0.27 1.49 -0.23 0.00 0.00 178.00 179.88 1ap4 h GLU 55 N 0.00 0.00 0.00 0.86 4.81 -2.04 -3.27 114.58 114.94 1ap4 h GLU 55 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1ap4 h GLU 55 Cb 0.88 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1ap4 h GLU 55 CO 0.04 0.00 -1.20 0.93 -0.73 0.00 0.00 179.01 178.06 1ap4 h GLU 56 N 0.00 0.00 0.00 1.92 5.08 -1.89 -3.35 114.58 116.34 1ap4 h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ap4 h GLU 56 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ap4 h GLU 56 CO 0.00 0.46 0.00 1.28 -1.00 0.00 0.00 179.01 179.75 1ap4 n LEU 57 N -3.05 0.00 -0.15 1.33 4.32 -1.13 0.91 117.00 119.22 1ap4 n LEU 57 Ca -0.07 0.95 0.08 0.00 -0.02 0.00 0.00 56.01 56.95 1ap4 n LEU 57 Cb 0.86 -0.45 0.39 0.00 -1.62 0.00 0.00 43.42 42.61 1ap4 n LEU 57 CO 0.43 -0.45 1.21 -0.61 -1.22 0.00 0.00 177.39 176.75 1ap4 h GLN 58 N 0.00 0.64 -0.10 3.23 5.75 -1.80 -1.01 115.11 121.83 1ap4 h GLN 58 Ca 0.00 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1ap4 h GLN 58 Cb 0.00 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1ap4 h GLN 58 CO 0.00 0.42 -0.27 1.49 -2.65 0.00 0.00 178.83 177.82 1ap4 h GLU 59 N 0.66 0.17 -0.00 1.69 4.22 -1.10 0.60 114.58 120.82 1ap4 h GLU 59 Ca 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.68 1ap4 h GLU 59 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ap4 h GLU 59 CO -0.10 0.44 -0.01 -0.12 -2.18 0.00 0.00 179.01 177.03 1ap4 n MET 60 N -4.16 0.48 0.00 1.92 1.56 0.26 -3.59 117.12 113.59 1ap4 n MET 60 Ca -0.01 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 1ap4 n MET 60 Cb 0.36 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.23 1ap4 n MET 60 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1ap4 n ILE 61 N -1.24 0.00 -0.55 1.12 5.41 -0.76 -4.66 119.36 118.68 1ap4 n ILE 61 Ca 0.15 -0.33 0.08 0.00 1.00 0.00 0.00 62.75 63.64 1ap4 n ILE 61 Cb 0.24 0.92 0.35 0.00 -0.71 0.00 0.00 39.64 40.44 1ap4 n ILE 61 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1ap4 n ASP 62 N -0.80 4.81 0.00 4.38 5.75 0.20 -3.43 116.55 127.47 1ap4 n ASP 62 Ca 0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1ap4 n ASP 62 Cb 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1ap4 n ASP 62 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1ap4 n GLU 63 N 0.82 2.98 -0.00 0.11 0.28 -1.25 -4.79 120.64 118.78 1ap4 n GLU 63 Ca 0.24 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 1ap4 n GLU 63 Cb 0.96 -0.91 -0.08 0.00 1.43 0.00 0.00 31.44 32.84 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 -1.67 0.00 -2.04 3.84 3.14 -1.26 -4.94 118.33 115.40 1ap4 n VAL 64 Ca 0.00 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.70 1ap4 n VAL 64 Cb 0.35 0.49 -0.03 0.00 -1.06 0.00 0.00 33.84 33.60 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 -2.86 6.23 -0.08 6.55 2.15 -1.22 -4.83 116.67 122.61 1ap4 s ASP 65 Ca -0.01 1.62 0.12 0.00 0.43 0.00 0.00 52.55 54.70 1ap4 s ASP 65 Cb 0.07 -2.53 0.33 0.00 -0.30 0.00 0.00 42.92 40.50 1ap4 s ASP 65 CO 0.45 -1.38 1.26 -0.62 -0.17 0.00 0.00 175.17 174.71 1ap4 n GLU 66 N 7.88 2.73 -0.00 4.34 1.02 -1.26 -4.49 120.64 130.86 1ap4 n GLU 66 Ca 0.20 -2.30 0.04 0.00 -0.02 0.00 0.00 57.16 55.08 1ap4 n GLU 66 Cb 0.45 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.20 0.78 0.00 1.62 5.68 -1.26 -4.97 116.55 118.20 1ap4 n ASP 67 Ca 0.14 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 1ap4 n ASP 67 Cb 0.58 1.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.61 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 1.31 0.73 0.33 6.12 0.00 -1.26 -4.83 105.19 107.58 1ap4 n GLY 68 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.94 -3.44 113.55 114.42 1ap4 h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ap4 h SER 69 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ap4 h SER 69 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ap4 n GLY 70 N -1.22 0.71 3.37 -0.77 0.00 -1.26 -4.98 105.19 101.05 1ap4 n GLY 70 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.12 2.02 0.01 2.61 -4.23 -1.26 -4.05 115.64 107.62 1ap4 s THR 71 Ca 0.00 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 1ap4 s THR 71 Cb 0.00 -1.96 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 1ap4 s THR 71 CO 0.00 -0.26 0.47 -0.69 -0.54 0.00 0.00 174.62 173.60 1ap4 s VAL 72 N -1.96 4.94 0.43 2.29 1.01 -0.36 -4.86 120.40 121.88 1ap4 s VAL 72 Ca 0.18 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.21 1ap4 s VAL 72 Cb -0.06 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1ap4 s VAL 72 CO 0.08 0.55 0.10 -0.62 0.00 0.00 0.00 175.10 175.20 1ap4 s ASP 73 N -0.92 4.17 0.58 3.32 2.15 -1.26 -1.58 116.67 123.13 1ap4 s ASP 73 Ca 0.26 -1.27 0.28 0.00 0.43 0.00 0.00 52.55 52.25 1ap4 s ASP 73 Cb -0.18 -0.30 1.53 0.00 -0.30 0.00 0.00 42.92 43.68 1ap4 s ASP 73 CO 0.15 -0.56 1.98 0.15 -0.17 0.00 0.00 175.17 176.72 1ap4 h PHE 74 N 1.54 0.00 0.19 -5.34 3.57 -1.97 1.57 116.94 116.49 1ap4 h PHE 74 Ca -0.43 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.76 1ap4 h PHE 74 Cb 1.26 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.03 1ap4 h PHE 74 CO 0.78 0.00 -1.33 -0.44 -2.23 0.00 0.00 178.31 175.09 1ap4 h ASP 75 N 0.00 0.85 0.08 0.41 3.32 -2.01 -3.32 116.42 115.75 1ap4 h ASP 75 Ca 0.17 -0.88 -0.31 0.00 0.02 0.00 0.00 57.03 56.03 1ap4 h ASP 75 Cb 0.90 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1ap4 h ASP 75 CO -0.00 1.65 -1.68 -0.33 -1.72 0.00 0.00 179.24 177.16 1ap4 h GLU 76 N 0.18 0.18 -1.35 3.56 5.08 -1.48 -3.33 114.58 117.42 1ap4 h GLU 76 Ca -0.22 -0.30 0.42 0.00 -1.00 0.00 0.00 59.36 58.26 1ap4 h GLU 76 Cb 2.02 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 31.28 1ap4 h GLU 76 CO 0.25 1.15 0.90 0.35 -1.00 0.00 0.00 179.01 180.66 1ap4 h PHE 77 N -0.33 0.42 0.18 4.33 3.57 0.20 0.06 116.94 125.36 1ap4 h PHE 77 Ca -0.39 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 1ap4 h PHE 77 Cb 1.76 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.40 1ap4 h PHE 77 CO 0.09 -0.12 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.90 1ap4 h LEU 78 N 0.11 -0.20 -0.14 0.59 3.38 -1.70 -3.15 115.31 114.20 1ap4 h LEU 78 Ca 0.78 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.59 1ap4 h LEU 78 Cb 2.55 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 43.29 1ap4 h LEU 78 CO -0.30 0.34 -0.30 0.58 0.09 0.00 0.00 178.44 178.85 1ap4 h VAL 79 N -1.00 0.31 -1.09 1.22 2.07 -1.21 0.28 116.25 116.83 1ap4 h VAL 79 Ca -0.02 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.80 1ap4 h VAL 79 Cb 0.39 0.31 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1ap4 h VAL 79 CO 0.04 0.00 0.69 0.00 0.02 0.00 0.00 177.57 178.32 1ap4 h MET 80 N -0.37 0.33 0.33 1.57 -0.00 -1.20 0.17 114.93 115.76 1ap4 h MET 80 Ca 0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.76 1ap4 h MET 80 Cb 0.53 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1ap4 h MET 80 CO -0.35 0.22 -0.16 0.52 -0.00 0.00 0.00 176.91 177.14 1ap4 h MET 81 N 0.34 -0.43 -0.41 -0.10 2.07 -0.93 -3.10 114.93 112.36 1ap4 h MET 81 Ca 0.66 0.03 0.12 0.00 -2.07 0.00 0.00 59.70 58.44 1ap4 h MET 81 Cb 1.72 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 31.53 1ap4 h MET 81 CO -0.37 -0.29 0.48 -0.24 1.07 0.00 0.00 176.91 177.56 1ap4 h VAL 82 N -0.86 0.33 -0.38 -2.22 3.04 -0.61 0.20 116.25 115.74 1ap4 h VAL 82 Ca -0.05 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 1ap4 h VAL 82 Cb 0.34 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1ap4 h VAL 82 CO 0.08 0.00 0.00 0.03 -1.01 0.00 0.00 177.57 176.67 1ap4 h ARG 83 N 0.00 0.68 -0.00 4.17 3.08 -0.65 -2.68 114.38 118.97 1ap4 h ARG 83 Ca 0.20 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ap4 h ARG 83 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ap4 h ARG 83 CO -0.00 0.77 -0.10 0.00 -1.07 0.00 0.00 179.97 179.56 1ap4 n MET 85 N -1.48 0.11 0.00 0.00 2.81 -0.78 -4.97 117.12 112.81 1ap4 n MET 85 Ca 0.07 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1ap4 n MET 85 Cb 0.33 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1ap4 n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ap4 n LYS 86 N -1.88 0.00 -1.51 0.03 4.81 -1.21 -4.66 118.16 113.74 1ap4 n LYS 86 Ca 0.04 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.03 1ap4 n LYS 86 Cb 0.26 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.30 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 -0.53 0.22 -4.94 3.14 2.03 -1.26 -4.95 116.55 110.27 1ap4 n ASP 87 Ca 0.00 1.12 -0.24 0.00 0.52 0.00 0.00 54.79 56.19 1ap4 n ASP 87 Cb 0.00 -1.16 0.04 0.00 -0.72 0.00 0.00 41.12 39.27 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 s ASP 88 N -0.75 5.42 0.00 1.67 2.15 -1.26 -5.18 116.67 118.72 1ap4 s ASP 88 Ca 0.61 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.98 1ap4 s ASP 88 Cb -0.75 -1.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1ap4 s ASP 88 CO 0.59 -1.10 0.00 -1.20 -0.17 0.00 0.00 175.17 173.28