#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 -0.58 0.15 7.83 5.68 -1.26 -4.93 116.55 123.44 1ap4 n ASP 2 Ca 0.00 -2.45 0.10 0.00 -0.50 0.00 0.00 54.79 51.94 1ap4 n ASP 2 Cb 0.00 0.39 0.54 0.00 -1.14 0.00 0.00 41.12 40.92 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ap4 n ASP 3 N -0.61 0.52 0.38 -1.12 -0.08 -1.26 -2.84 116.55 111.54 1ap4 n ASP 3 Ca -0.01 0.74 -0.18 0.00 -1.51 0.00 0.00 54.79 53.84 1ap4 n ASP 3 Cb 0.84 -0.81 -0.09 0.00 2.34 0.00 0.00 41.12 43.41 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 0.00 0.00 -0.29 5.18 2.04 -2.02 -2.58 117.51 119.84 1ap4 h ILE 4 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1ap4 h ILE 4 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1ap4 h ILE 4 CO 0.00 0.00 -0.24 1.88 0.00 0.00 0.00 178.15 179.79 1ap4 h TYR 5 N -1.07 0.63 -0.32 1.37 -1.99 -1.96 -2.56 116.97 111.07 1ap4 h TYR 5 Ca -0.09 -0.14 0.09 0.00 2.00 0.00 0.00 58.73 60.59 1ap4 h TYR 5 Cb 0.86 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 1ap4 h TYR 5 CO -0.09 0.76 0.39 0.87 -0.00 0.00 0.00 178.16 180.09 1ap4 h LYS 6 N 0.50 0.00 -0.01 4.88 1.79 -1.47 -1.29 116.57 120.96 1ap4 h LYS 6 Ca 0.07 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1ap4 h LYS 6 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1ap4 h LYS 6 CO 0.05 0.00 -0.08 0.00 -1.08 0.00 0.00 179.45 178.34 1ap4 h ALA 7 N 1.52 0.03 -0.93 3.86 0.00 -1.05 -3.09 119.26 119.60 1ap4 h ALA 7 Ca 0.15 -0.37 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1ap4 h ALA 7 Cb 0.93 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1ap4 h ALA 7 CO -0.00 -0.08 0.61 0.00 0.00 0.00 0.00 179.25 179.78 1ap4 h ALA 8 N 0.34 2.15 0.61 0.00 0.00 -1.33 0.33 119.26 121.37 1ap4 h ALA 8 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ap4 h ALA 8 Cb 0.76 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ap4 h ALA 8 CO 0.02 -0.46 -0.29 0.28 0.00 0.00 0.00 179.25 178.79 1ap4 h VAL 9 N 0.45 0.28 -0.42 0.00 2.07 -1.50 -3.07 116.25 114.06 1ap4 h VAL 9 Ca 0.50 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1ap4 h VAL 9 Cb 1.17 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1ap4 h VAL 9 CO -0.21 0.03 0.04 -0.08 0.02 0.00 0.00 177.57 177.37 1ap4 h GLU 10 N -1.03 0.66 -0.93 1.57 4.22 -1.28 -2.36 114.58 115.43 1ap4 h GLU 10 Ca -0.08 -0.14 0.25 0.00 0.08 0.00 0.00 59.36 59.46 1ap4 h GLU 10 Cb 0.68 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1ap4 h GLU 10 CO 0.14 0.65 0.65 1.96 -2.18 0.00 0.00 179.01 180.23 1ap4 h GLN 11 N 0.63 0.13 -6.35 1.92 7.50 -0.29 -3.41 115.11 115.25 1ap4 h GLN 11 Ca 0.14 -0.01 -0.62 0.00 0.50 0.00 0.00 58.65 58.65 1ap4 h GLN 11 Cb 0.34 -0.03 0.04 0.00 0.05 0.00 0.00 27.48 27.87 1ap4 h GLN 11 CO 0.01 0.09 0.89 1.28 -1.50 0.00 0.00 178.83 179.59 1ap4 n LEU 12 N -4.36 2.99 -4.61 1.46 4.77 -0.89 -4.87 117.00 111.49 1ap4 n LEU 12 Ca 0.20 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.83 1ap4 n LEU 12 Cb 0.91 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1ap4 n LEU 12 CO 0.36 -0.30 0.54 0.35 -1.33 0.00 0.00 177.39 177.00 1ap4 n THR 13 N 4.13 3.21 -0.26 -5.08 -2.24 -1.26 -4.73 114.28 108.04 1ap4 n THR 13 Ca 0.20 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1ap4 n THR 13 Cb 0.26 -1.14 0.34 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.82 0.77 0.00 -0.78 4.39 -1.90 0.14 114.58 118.02 1ap4 h GLU 14 Ca -0.47 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.16 1ap4 h GLU 14 Cb 1.36 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1ap4 h GLU 14 CO 0.52 0.51 -0.12 1.05 -1.16 0.00 0.00 179.01 179.81 1ap4 h GLU 15 N 0.79 0.00 0.00 2.33 4.11 -1.99 -2.70 114.58 117.11 1ap4 h GLU 15 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1ap4 h GLU 15 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ap4 h GLU 15 CO -0.17 0.12 0.00 0.94 0.07 0.00 0.00 179.01 179.97 1ap4 n GLN 16 N -3.27 0.00 -0.25 1.06 7.27 0.47 -3.13 117.38 119.53 1ap4 n GLN 16 Ca 0.00 0.42 0.31 0.00 0.07 0.00 0.00 57.00 57.80 1ap4 n GLN 16 Cb 0.37 -1.07 0.72 0.00 2.41 0.00 0.00 30.24 32.66 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 0.04 -0.95 3.69 2.10 -1.63 0.28 116.57 120.10 1ap4 h LYS 17 Ca 0.00 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1ap4 h LYS 17 Cb 0.00 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.27 1ap4 h LYS 17 CO 0.00 0.02 0.63 -0.91 -2.00 0.00 0.00 179.45 177.19 1ap4 h ASN 18 N 0.04 1.08 1.90 7.07 2.35 -1.55 -0.24 115.58 126.23 1ap4 h ASN 18 Ca 0.50 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 1ap4 h ASN 18 Cb 1.92 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 40.03 1ap4 h ASN 18 CO -0.03 0.77 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.18 1ap4 h GLU 19 N 1.27 0.00 0.00 0.81 4.39 -0.39 -3.20 114.58 117.46 1ap4 h GLU 19 Ca 0.36 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.93 1ap4 h GLU 19 Cb -0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ap4 h GLU 19 CO -0.09 0.00 -0.75 0.74 -1.16 0.00 0.00 179.01 177.75 1ap4 h PHE 20 N 0.00 0.00 -0.46 4.33 -1.00 -0.70 -3.32 116.94 115.79 1ap4 h PHE 20 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1ap4 h PHE 20 Cb 0.96 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 1ap4 h PHE 20 CO 0.00 0.57 0.19 -0.22 -1.61 0.00 0.00 178.31 177.24 1ap4 h LYS 21 N 0.00 0.69 -0.72 1.51 3.64 -1.09 -2.31 116.57 118.30 1ap4 h LYS 21 Ca -0.04 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1ap4 h LYS 21 Cb 1.47 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 1ap4 h LYS 21 CO 0.07 0.62 0.34 0.00 -2.27 0.00 0.00 179.45 178.21 1ap4 h ALA 22 N 1.04 0.99 -0.39 5.00 0.00 -1.69 -1.94 119.26 122.28 1ap4 h ALA 22 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ap4 h ALA 22 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ap4 h ALA 22 CO -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 179.25 179.19 1ap4 h ALA 23 N 1.45 0.52 -0.91 0.00 0.00 -1.63 -2.90 119.26 115.78 1ap4 h ALA 23 Ca 0.36 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.27 1ap4 h ALA 23 Cb 0.42 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 1ap4 h ALA 23 CO -0.29 0.26 0.42 0.35 0.00 0.00 0.00 179.25 179.98 1ap4 h PHE 24 N 0.50 0.69 0.00 0.00 3.04 -0.79 1.34 116.94 121.72 1ap4 h PHE 24 Ca 0.11 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1ap4 h PHE 24 Cb 0.41 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1ap4 h PHE 24 CO 0.03 -0.04 0.00 -0.25 -2.02 0.00 0.00 178.31 176.03 1ap4 n ASP 25 N -5.03 0.00 0.06 0.41 9.92 -1.09 -2.54 116.55 118.28 1ap4 n ASP 25 Ca 0.23 0.46 -0.01 0.00 -0.53 0.00 0.00 54.79 54.94 1ap4 n ASP 25 Cb 0.67 -0.48 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.76 0.00 0.53 2.04 0.18 -3.35 117.51 117.67 1ap4 h ILE 26 Ca 0.00 -2.27 -0.20 0.00 1.00 0.00 0.00 64.86 63.39 1ap4 h ILE 26 Cb 0.24 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1ap4 h ILE 26 CO 0.00 0.43 -1.40 -0.26 0.00 0.00 0.00 178.15 176.93 1ap4 h PHE 27 N 0.00 0.00 0.00 1.37 0.04 -1.36 -3.30 116.94 113.69 1ap4 h PHE 27 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1ap4 h PHE 27 Cb 1.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.73 1ap4 h PHE 27 CO 0.00 0.73 0.00 1.33 -0.60 0.00 0.00 178.31 179.77 1ap4 n VAL 28 N -3.00 0.03 -1.51 -0.55 0.24 -1.17 -4.68 118.33 107.69 1ap4 n VAL 28 Ca -0.10 0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 1ap4 n VAL 28 Cb 0.90 -0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.03 0.91 0.00 1.34 4.32 -1.25 0.33 117.00 121.63 1ap4 n LEU 29 Ca 0.17 -1.71 0.00 0.00 -0.02 0.00 0.00 56.01 54.45 1ap4 n LEU 29 Cb 0.09 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.43 1ap4 n LEU 29 CO 0.14 -2.77 0.00 0.61 -1.22 0.00 0.00 177.39 174.15 1ap4 n GLY 30 N 6.22 1.42 0.00 -0.72 0.00 -1.26 -5.12 105.19 105.73 1ap4 n GLY 30 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -0.06 4.61 0.00 0.15 -4.95 120.51 120.26 1ap4 n ALA 31 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ap4 n ALA 31 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.93 0.69 0.00 0.00 -0.58 -1.26 -4.64 120.64 113.93 1ap4 n GLU 32 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1ap4 n GLU 32 Cb 0.00 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 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 -3.26 0.43 0.00 1.62 5.75 -1.26 -4.99 116.55 114.85 1ap4 n ASP 33 Ca -0.36 -1.14 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1ap4 n ASP 33 Cb 1.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 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 -0.07 1.05 3.73 6.12 0.00 -1.26 -5.14 105.19 109.62 1ap4 n GLY 34 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ILE 36 N -1.05 4.76 -1.33 0.00 5.41 -0.85 -3.95 119.36 122.34 1ap4 n ILE 36 Ca -0.06 -5.50 -0.39 0.00 1.00 0.00 0.00 62.75 57.81 1ap4 n ILE 36 Cb 0.59 -2.46 0.02 0.00 -0.71 0.00 0.00 39.64 37.08 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1ap4 n SER 37 N 2.44 -2.65 0.27 4.38 3.41 -1.26 -2.46 113.62 117.75 1ap4 n SER 37 Ca 0.25 0.70 0.18 0.00 -0.26 0.00 0.00 58.87 59.74 1ap4 n SER 37 Cb 0.38 -0.97 0.90 0.00 -0.26 0.00 0.00 64.21 64.25 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ap4 h THR 38 N 0.12 0.17 -0.77 6.66 1.03 -1.92 -0.99 112.91 117.21 1ap4 h THR 38 Ca -0.42 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 65.98 1ap4 h THR 38 Cb 1.43 0.78 -0.04 0.00 -1.07 0.00 0.00 68.15 69.25 1ap4 h THR 38 CO 0.44 0.00 0.50 0.11 -0.01 0.00 0.00 175.52 176.56 1ap4 h LYS 39 N 0.00 1.02 -1.28 0.00 1.57 -1.93 -2.63 116.57 113.32 1ap4 h LYS 39 Ca 0.05 -0.07 -0.69 0.00 -1.87 0.00 0.00 60.65 58.07 1ap4 h LYS 39 Cb 0.54 -0.23 -0.30 0.00 0.08 0.00 0.00 32.23 32.32 1ap4 h LYS 39 CO -0.00 0.69 0.73 0.39 -0.57 0.00 0.00 179.45 180.69 1ap4 n GLU 40 N -4.53 2.81 0.00 3.15 1.02 -0.38 -4.36 120.64 118.35 1ap4 n GLU 40 Ca 0.07 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.74 1ap4 n GLU 40 Cb 0.02 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ap4 n LEU 41 N -0.78 0.39 0.04 -4.62 -0.00 -0.99 -4.48 117.00 106.55 1ap4 n LEU 41 Ca 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.57 1ap4 n LEU 41 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1ap4 n LEU 41 CO 0.67 0.06 0.16 1.23 -0.00 0.00 0.00 177.39 179.51 1ap4 h GLY 42 N 0.00 -0.13 1.30 -3.96 0.00 -1.76 -1.49 103.07 97.02 1ap4 h GLY 42 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ap4 h GLY 42 CO 0.00 -0.05 0.35 0.50 0.00 0.00 0.00 176.54 177.34 1ap4 h LYS 43 N -0.33 0.00 0.03 4.80 6.56 -1.88 -0.89 116.57 124.86 1ap4 h LYS 43 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1ap4 h LYS 43 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1ap4 h LYS 43 CO 0.02 0.00 -0.01 0.28 -2.06 0.00 0.00 179.45 177.68 1ap4 h VAL 44 N 0.00 1.33 -0.82 0.50 2.07 -1.77 -3.20 116.25 114.35 1ap4 h VAL 44 Ca 0.01 -1.81 0.24 0.00 0.82 0.00 0.00 66.70 65.96 1ap4 h VAL 44 Cb 0.70 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1ap4 h VAL 44 CO -0.00 0.42 0.77 0.24 0.02 0.00 0.00 177.57 179.02 1ap4 h MET 45 N -0.92 0.00 -0.00 1.57 2.86 -0.06 0.87 114.93 119.26 1ap4 h MET 45 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1ap4 h MET 45 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1ap4 h MET 45 CO 0.01 0.00 -0.67 0.00 1.06 0.00 0.00 176.91 177.31 1ap4 h ARG 46 N 0.00 0.01 0.18 1.72 3.08 -1.52 1.56 114.38 119.39 1ap4 h ARG 46 Ca 0.39 -0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.14 1ap4 h ARG 46 Cb 1.93 0.00 0.02 0.00 0.08 0.00 0.00 29.97 32.00 1ap4 h ARG 46 CO -0.00 0.67 -1.37 0.00 -1.07 0.00 0.00 179.97 178.20 1ap4 h MET 47 N 0.00 0.37 -0.17 0.04 -0.00 0.69 -3.32 114.93 112.55 1ap4 h MET 47 Ca -0.01 -0.63 -0.03 0.00 -0.00 0.00 0.00 59.70 59.03 1ap4 h MET 47 Cb 1.18 0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 33.01 1ap4 h MET 47 CO 0.09 1.30 -0.02 -0.07 -0.00 0.00 0.00 176.91 178.21 1ap4 h LEU 48 N -0.11 0.22 0.00 -0.10 3.38 -1.39 -3.45 115.31 113.86 1ap4 h LEU 48 Ca -0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ap4 h LEU 48 Cb 1.92 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1ap4 h LEU 48 CO 0.16 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1ap4 n GLY 49 N -1.15 1.36 3.64 0.83 0.00 -1.01 -5.11 105.19 103.76 1ap4 n GLY 49 Ca -0.00 0.00 -0.27 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 2.02 -0.38 1.61 1.11 0.53 -5.00 119.66 119.55 1ap4 s GLN 50 Ca 0.00 -2.02 0.11 0.00 0.01 0.00 0.00 55.36 53.46 1ap4 s GLN 50 Cb 0.00 -1.74 0.34 0.00 -1.01 0.00 0.00 33.01 30.61 1ap4 s GLN 50 CO 0.00 -0.05 0.76 0.09 0.01 0.00 0.00 175.29 176.11 1ap4 n ASN 51 N -1.02 0.48 -4.79 5.90 4.13 -1.26 -3.52 115.26 115.18 1ap4 n ASN 51 Ca -0.04 -3.07 -0.29 0.00 1.68 0.00 0.00 54.58 52.85 1ap4 n ASN 51 Cb 0.66 -0.35 0.11 0.00 -1.54 0.00 0.00 39.78 38.66 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 -2.12 1.61 0.46 3.52 0.04 -1.26 -5.07 135.00 132.18 1ap4 s PRO 52 Ca 0.38 0.48 0.08 0.00 0.04 0.00 0.00 61.00 61.98 1ap4 s PRO 52 Cb 0.34 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 33.02 1ap4 s PRO 52 CO -0.08 -1.92 0.55 0.95 0.04 0.00 0.00 177.00 176.55 1ap4 s THR 53 N -3.20 2.64 -0.03 1.26 -4.23 -1.26 -4.98 115.64 105.83 1ap4 s THR 53 Ca 0.62 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 59.75 1ap4 s THR 53 Cb -0.15 -2.76 -0.21 0.00 1.34 0.00 0.00 72.50 70.73 1ap4 s THR 53 CO 0.54 0.00 1.18 1.55 -0.54 0.00 0.00 174.62 177.35 1ap4 h PRO 54 N 0.65 0.07 -0.42 3.99 0.13 -1.99 -1.16 132.00 133.27 1ap4 h PRO 54 Ca -0.38 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ap4 h PRO 54 Cb 1.28 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1ap4 h PRO 54 CO 0.48 0.64 0.22 0.93 -0.23 0.00 0.00 178.00 180.04 1ap4 h GLU 55 N -0.50 0.59 -0.20 0.86 5.08 -2.02 -2.34 114.58 116.05 1ap4 h GLU 55 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1ap4 h GLU 55 Cb 0.64 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ap4 h GLU 55 CO 0.01 0.49 -0.16 0.93 -1.00 0.00 0.00 179.01 179.28 1ap4 h GLU 56 N 0.54 0.33 0.00 2.33 5.08 -1.97 -2.93 114.58 117.97 1ap4 h GLU 56 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ap4 h GLU 56 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ap4 h GLU 56 CO -0.02 0.49 0.00 -0.11 -1.00 0.00 0.00 179.01 178.37 1ap4 n LEU 57 N -4.22 0.00 -0.14 1.33 0.00 -0.44 0.24 117.00 113.77 1ap4 n LEU 57 Ca -0.00 0.86 -0.04 0.00 0.00 0.00 0.00 56.01 56.83 1ap4 n LEU 57 Cb 0.31 -0.36 0.05 0.00 0.00 0.00 0.00 43.42 43.42 1ap4 n LEU 57 CO 0.39 -0.36 0.89 -0.61 0.00 0.00 0.00 177.39 177.70 1ap4 h GLN 58 N 0.00 0.18 0.48 1.96 -0.00 -1.61 -0.42 115.11 115.70 1ap4 h GLN 58 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1ap4 h GLN 58 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 1ap4 h GLN 58 CO 0.00 0.12 -0.34 1.49 0.00 0.00 0.00 178.83 180.10 1ap4 h GLU 59 N 0.19 -0.75 -0.42 1.69 4.81 -1.19 0.74 114.58 119.65 1ap4 h GLU 59 Ca 0.22 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1ap4 h GLU 59 Cb 0.30 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1ap4 h GLU 59 CO -0.31 -0.50 -0.33 1.98 -0.73 0.00 0.00 179.01 179.11 1ap4 h MET 60 N -0.78 -0.24 -0.18 1.92 4.05 0.33 0.38 114.93 120.42 1ap4 h MET 60 Ca -0.06 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1ap4 h MET 60 Cb 0.64 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1ap4 h MET 60 CO 0.04 -0.16 0.15 0.82 0.23 0.00 0.00 176.91 177.99 1ap4 h ILE 61 N -0.25 0.72 0.00 1.77 2.04 -0.96 0.23 117.51 121.07 1ap4 h ILE 61 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1ap4 h ILE 61 Cb 0.54 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1ap4 h ILE 61 CO -0.56 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 176.92 1ap4 n ASP 62 N -4.19 0.00 -0.07 1.72 -0.08 0.13 -2.36 116.55 111.69 1ap4 n ASP 62 Ca 0.01 0.18 -0.08 0.00 -1.51 0.00 0.00 54.79 53.39 1ap4 n ASP 62 Cb 0.28 -0.39 -0.05 0.00 2.34 0.00 0.00 41.12 43.30 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ap4 h GLU 63 N 0.00 0.00 0.00 -0.67 5.08 0.29 -3.37 114.58 115.91 1ap4 h GLU 63 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1ap4 h GLU 63 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ap4 h GLU 63 CO 0.00 0.37 -0.41 -0.24 -1.00 0.00 0.00 179.01 177.73 1ap4 h VAL 64 N -1.00 0.90 -0.83 3.13 3.04 -1.66 -3.44 116.25 116.38 1ap4 h VAL 64 Ca -0.07 -1.68 -0.79 0.00 -1.01 0.00 0.00 66.70 63.16 1ap4 h VAL 64 Cb 0.61 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1ap4 h VAL 64 CO -0.04 0.40 1.03 -0.67 -1.01 0.00 0.00 177.57 177.28 1ap4 n ASP 65 N -3.48 1.47 -1.47 3.17 -0.08 -1.00 -4.79 116.55 110.37 1ap4 n ASP 65 Ca 0.00 0.90 0.07 0.00 -1.51 0.00 0.00 54.79 54.26 1ap4 n ASP 65 Cb 0.55 -1.00 0.34 0.00 2.34 0.00 0.00 41.12 43.36 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ap4 n GLU 66 N 5.95 4.01 -0.19 -0.67 1.02 -1.26 -4.35 120.64 125.15 1ap4 n GLU 66 Ca 0.39 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1ap4 n GLU 66 Cb 0.03 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 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 0.10 0.00 -4.31 1.62 5.68 -1.26 -5.01 116.55 113.37 1ap4 n ASP 67 Ca 0.26 -1.25 -0.35 0.00 -0.50 0.00 0.00 54.79 52.95 1ap4 n ASP 67 Cb 1.08 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 40.95 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 0.00 -0.31 0.14 6.12 0.00 -1.26 -4.82 105.19 105.06 1ap4 n GLY 68 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.71 2.07 0.00 1.61 3.41 -1.26 -5.00 113.62 111.74 1ap4 n SER 69 Ca -0.08 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1ap4 n SER 69 Cb 0.56 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 2.07 2.07 3.95 5.00 0.00 -1.26 -5.07 105.19 111.96 1ap4 n GLY 70 Ca -0.36 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.62 3.55 -0.31 2.61 -4.23 -1.26 -4.08 115.64 110.30 1ap4 s THR 71 Ca 0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 1ap4 s THR 71 Cb 0.00 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1ap4 s THR 71 CO 0.00 -0.27 0.14 -0.69 -0.54 0.00 0.00 174.62 173.26 1ap4 s VAL 72 N -2.71 4.43 0.51 2.29 1.01 -1.03 -4.91 120.40 119.98 1ap4 s VAL 72 Ca 0.52 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1ap4 s VAL 72 Cb -0.10 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1ap4 s VAL 72 CO 0.40 0.03 0.79 -1.81 0.00 0.00 0.00 175.10 174.51 1ap4 s ASP 73 N 1.58 5.90 0.39 3.32 1.11 -1.26 -2.01 116.67 125.70 1ap4 s ASP 73 Ca 0.04 0.66 0.20 0.00 0.18 0.00 0.00 52.55 53.63 1ap4 s ASP 73 Cb -0.17 -1.85 1.18 0.00 1.07 0.00 0.00 42.92 43.15 1ap4 s ASP 73 CO 0.05 -0.77 1.70 0.15 1.18 0.00 0.00 175.17 177.48 1ap4 h PHE 74 N 0.15 0.70 -0.23 4.23 3.57 -1.98 0.73 116.94 124.11 1ap4 h PHE 74 Ca -0.46 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1ap4 h PHE 74 Cb 1.24 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1ap4 h PHE 74 CO 0.50 -0.08 0.01 0.22 -2.23 0.00 0.00 178.31 176.74 1ap4 h ASP 75 N 0.30 0.39 0.02 0.41 1.82 -2.01 -2.99 116.42 114.35 1ap4 h ASP 75 Ca 0.70 -0.30 -0.07 0.00 -0.39 0.00 0.00 57.03 56.97 1ap4 h ASP 75 Cb 1.85 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 41.76 1ap4 h ASP 75 CO -0.42 0.59 -0.29 -0.33 -1.61 0.00 0.00 179.24 177.18 1ap4 h GLU 76 N 0.18 0.17 -0.58 0.28 5.08 -0.92 -3.19 114.58 115.59 1ap4 h GLU 76 Ca 0.07 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1ap4 h GLU 76 Cb 0.39 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 1ap4 h GLU 76 CO 0.01 0.98 -0.49 0.35 -1.00 0.00 0.00 179.01 178.86 1ap4 h PHE 77 N -0.56 -1.54 -0.25 4.33 3.57 0.21 0.82 116.94 123.52 1ap4 h PHE 77 Ca -0.04 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1ap4 h PHE 77 Cb 1.10 0.75 -0.07 0.00 2.79 0.00 0.00 35.95 40.52 1ap4 h PHE 77 CO 0.20 -0.37 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.62 1ap4 h LEU 78 N -0.18 -0.69 -0.62 0.59 3.38 -1.66 -0.12 115.31 116.00 1ap4 h LEU 78 Ca 0.10 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1ap4 h LEU 78 Cb 0.43 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1ap4 h LEU 78 CO -0.65 -0.25 0.36 0.58 0.09 0.00 0.00 178.44 178.57 1ap4 h VAL 79 N -0.22 1.03 -0.87 1.22 2.07 -1.13 -1.06 116.25 117.29 1ap4 h VAL 79 Ca 0.14 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ap4 h VAL 79 Cb 0.43 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1ap4 h VAL 79 CO -0.37 0.13 0.57 0.24 0.02 0.00 0.00 177.57 178.16 1ap4 h MET 80 N 0.70 1.00 0.42 1.57 2.86 0.17 0.29 114.93 121.93 1ap4 h MET 80 Ca 0.26 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1ap4 h MET 80 Cb 0.08 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1ap4 h MET 80 CO -0.13 0.66 -0.20 0.52 1.06 0.00 0.00 176.91 178.82 1ap4 h MET 81 N 1.03 -0.54 -0.54 1.72 2.07 0.04 -3.02 114.93 115.70 1ap4 h MET 81 Ca 0.36 0.04 0.04 0.00 -2.07 0.00 0.00 59.70 58.07 1ap4 h MET 81 Cb 0.12 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.95 1ap4 h MET 81 CO -0.12 -0.23 0.36 -0.24 1.07 0.00 0.00 176.91 177.74 1ap4 h VAL 82 N -0.88 1.03 0.29 -2.22 3.04 -0.93 0.17 116.25 116.75 1ap4 h VAL 82 Ca -0.06 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1ap4 h VAL 82 Cb 0.56 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.22 1ap4 h VAL 82 CO 0.09 0.10 -0.42 0.03 -1.01 0.00 0.00 177.57 176.36 1ap4 h ARG 83 N 0.57 -0.72 0.00 4.17 3.08 -0.32 -2.53 114.38 118.63 1ap4 h ARG 83 Ca 0.22 0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 1ap4 h ARG 83 Cb 0.17 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1ap4 h ARG 83 CO -0.06 -0.48 -0.32 0.00 -1.07 0.00 0.00 179.97 178.04 1ap4 h MET 85 N 0.00 -0.19 -1.18 0.00 2.86 -0.21 -3.45 114.93 112.77 1ap4 h MET 85 Ca -0.00 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 1ap4 h MET 85 Cb 0.98 0.04 -0.29 0.00 0.06 0.00 0.00 31.60 32.39 1ap4 h MET 85 CO 0.04 -0.12 0.83 0.21 1.06 0.00 0.00 176.91 178.92 1ap4 s LYS 86 N -5.26 0.17 0.00 1.72 2.47 -1.20 -5.06 119.74 112.58 1ap4 s LYS 86 Ca -0.12 0.11 0.07 0.00 -1.56 0.00 0.00 55.97 54.47 1ap4 s LYS 86 Cb 0.08 0.08 0.11 0.00 -1.46 0.00 0.00 37.83 36.65 1ap4 s LYS 86 CO 0.54 -0.04 1.02 -0.40 0.16 0.00 0.00 175.35 176.63 1ap4 n ASP 87 N 1.14 -0.42 -3.45 1.43 5.75 -1.26 -4.87 116.55 114.87 1ap4 n ASP 87 Ca -0.07 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1ap4 n ASP 87 Cb 0.58 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ap4 n ASP 88 N 0.13 0.00 -0.70 -1.12 5.75 -1.26 -5.24 116.55 114.12 1ap4 n ASP 88 Ca -0.17 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.69 1ap4 n ASP 88 Cb 0.81 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.97 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89