#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 -1.15 -0.08 6.12 -4.77 -1.26 -5.06 116.67 110.47 1ap4 s ASP 2 Ca 0.00 -1.19 -0.06 0.00 -3.30 0.00 0.00 52.55 48.00 1ap4 s ASP 2 Cb 0.00 1.74 0.02 0.00 -1.09 0.00 0.00 42.92 43.59 1ap4 s ASP 2 CO 0.00 -0.15 0.12 0.47 0.70 0.00 0.00 175.17 176.31 1ap4 n ASP 3 N 3.95 -4.22 0.00 2.11 8.00 -1.26 -5.00 116.55 120.13 1ap4 n ASP 3 Ca 0.13 1.45 0.00 0.00 0.71 0.00 0.00 54.79 57.08 1ap4 n ASP 3 Cb 0.55 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 1ap4 n ASP 3 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ap4 n ILE 4 N 1.90 0.00 0.05 0.53 -5.35 -1.26 -4.80 119.36 110.43 1ap4 n ILE 4 Ca -0.20 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.13 1ap4 n ILE 4 Cb 0.31 -0.44 -0.14 0.00 -1.74 0.00 0.00 39.64 37.63 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1ap4 h TYR 5 N 0.00 0.36 0.00 4.28 0.05 -1.97 -3.10 116.97 116.58 1ap4 h TYR 5 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1ap4 h TYR 5 Cb 0.45 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1ap4 h TYR 5 CO 0.00 1.31 0.08 1.57 -1.05 0.00 0.00 178.16 180.07 1ap4 h LYS 6 N 0.05 0.00 0.07 4.88 5.09 -1.99 -1.22 116.57 123.46 1ap4 h LYS 6 Ca -0.23 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.14 1ap4 h LYS 6 Cb 1.99 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 34.28 1ap4 h LYS 6 CO 0.15 0.00 -2.14 0.00 -2.09 0.00 0.00 179.45 175.37 1ap4 n ALA 7 N -2.01 1.07 0.24 0.07 0.00 -1.23 -3.38 120.51 115.26 1ap4 n ALA 7 Ca -0.03 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.71 1ap4 n ALA 7 Cb 0.14 -0.46 0.57 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.02 1.84 0.19 0.00 0.00 -1.26 0.07 119.26 120.08 1ap4 h ALA 8 Ca -0.48 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.02 1ap4 h ALA 8 Cb 1.94 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.75 1ap4 h ALA 8 CO -0.00 0.12 -1.36 0.28 0.00 0.00 0.00 179.25 178.28 1ap4 h VAL 9 N 0.01 1.28 0.00 0.00 2.07 -1.41 -3.21 116.25 114.98 1ap4 h VAL 9 Ca 0.00 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1ap4 h VAL 9 Cb 0.16 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1ap4 h VAL 9 CO 0.01 0.78 0.00 -0.33 0.02 0.00 0.00 177.57 178.05 1ap4 h GLU 10 N 0.22 0.00 -0.14 1.57 5.08 -1.46 -3.05 114.58 116.80 1ap4 h GLU 10 Ca -0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1ap4 h GLU 10 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 1ap4 h GLU 10 CO 0.26 0.00 -0.34 1.96 -1.00 0.00 0.00 179.01 179.88 1ap4 h GLN 11 N 0.00 0.28 -6.21 2.33 7.50 -0.99 -3.44 115.11 114.58 1ap4 h GLN 11 Ca 0.00 -0.12 -0.70 0.00 0.50 0.00 0.00 58.65 58.33 1ap4 h GLN 11 Cb 0.59 -0.01 0.05 0.00 0.05 0.00 0.00 27.48 28.16 1ap4 h GLN 11 CO 0.00 0.59 0.36 1.28 -1.50 0.00 0.00 178.83 179.56 1ap4 n LEU 12 N -4.08 1.26 -4.47 1.46 4.77 -1.16 -4.89 117.00 109.90 1ap4 n LEU 12 Ca -0.01 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.81 1ap4 n LEU 12 Cb 0.44 -1.13 0.25 0.00 -2.33 0.00 0.00 43.42 40.65 1ap4 n LEU 12 CO 0.41 -1.25 0.45 0.35 -1.33 0.00 0.00 177.39 176.03 1ap4 n THR 13 N 2.28 0.00 0.07 -5.08 -2.24 -1.26 -4.72 114.28 103.33 1ap4 n THR 13 Ca 0.19 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ap4 n THR 13 Cb 0.17 -0.97 0.30 0.00 -2.10 0.00 0.00 70.33 67.73 1ap4 n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ap4 h GLU 14 N -2.62 0.34 0.00 -0.78 4.81 -1.95 -2.28 114.58 112.09 1ap4 h GLU 14 Ca -0.60 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 58.46 1ap4 h GLU 14 Cb 1.33 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1ap4 h GLU 14 CO 0.48 0.52 -0.31 1.05 -0.73 0.00 0.00 179.01 180.01 1ap4 h GLU 15 N 0.31 0.00 0.24 1.92 4.11 -1.99 -2.58 114.58 116.58 1ap4 h GLU 15 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 1ap4 h GLU 15 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ap4 h GLU 15 CO 0.03 0.31 -0.12 0.37 0.07 0.00 0.00 179.01 179.68 1ap4 h GLN 16 N 0.00 -0.31 -0.90 1.06 4.15 -1.74 -2.71 115.11 114.66 1ap4 h GLN 16 Ca -0.00 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.60 1ap4 h GLN 16 Cb 0.77 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 1ap4 h GLN 16 CO 0.04 -0.12 0.58 0.87 -1.93 0.00 0.00 178.83 178.27 1ap4 h LYS 17 N -1.05 0.62 -0.57 1.69 1.57 -1.56 -0.54 116.57 116.73 1ap4 h LYS 17 Ca -0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1ap4 h LYS 17 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ap4 h LYS 17 CO 0.05 0.41 0.19 -0.91 -0.57 0.00 0.00 179.45 178.63 1ap4 h ASN 18 N 0.64 0.81 -0.77 0.86 2.35 -1.52 -1.11 115.58 116.85 1ap4 h ASN 18 Ca 0.46 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1ap4 h ASN 18 Cb 0.81 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 1ap4 h ASN 18 CO -0.21 0.79 0.50 -0.08 -1.65 0.00 0.00 177.43 176.77 1ap4 h GLU 19 N 0.79 1.01 0.00 0.81 4.22 -0.77 -1.98 114.58 118.67 1ap4 h GLU 19 Ca 0.18 -0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.45 1ap4 h GLU 19 Cb 0.25 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ap4 h GLU 19 CO -0.01 0.68 -0.51 0.74 -2.18 0.00 0.00 179.01 177.73 1ap4 h PHE 20 N 1.04 0.00 -0.41 0.92 0.04 -1.20 -3.16 116.94 114.17 1ap4 h PHE 20 Ca 0.28 0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.13 1ap4 h PHE 20 Cb -0.10 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 37.97 1ap4 h PHE 20 CO -0.02 0.51 -0.05 -0.22 -0.60 0.00 0.00 178.31 177.94 1ap4 h LYS 21 N 0.00 0.05 0.09 1.51 3.64 -0.40 0.26 116.57 121.72 1ap4 h LYS 21 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ap4 h LYS 21 Cb 0.93 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1ap4 h LYS 21 CO 0.07 0.03 -0.04 0.00 -2.27 0.00 0.00 179.45 177.23 1ap4 h ALA 22 N 1.39 -0.13 -0.90 5.00 0.00 -1.52 -2.53 119.26 120.57 1ap4 h ALA 22 Ca 0.20 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ap4 h ALA 22 Cb 0.30 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1ap4 h ALA 22 CO -0.38 -0.55 0.59 0.00 0.00 0.00 0.00 179.25 178.91 1ap4 h ALA 23 N 0.74 1.50 -0.85 0.00 0.00 -1.43 -1.71 119.26 117.51 1ap4 h ALA 23 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ap4 h ALA 23 Cb 0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1ap4 h ALA 23 CO 0.02 0.38 0.53 0.35 0.00 0.00 0.00 179.25 180.53 1ap4 h PHE 24 N 1.05 0.99 0.00 0.00 3.04 -0.09 0.61 116.94 122.53 1ap4 h PHE 24 Ca 0.38 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.36 1ap4 h PHE 24 Cb 0.17 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1ap4 h PHE 24 CO -0.00 0.53 0.00 -0.25 -2.02 0.00 0.00 178.31 176.57 1ap4 n ASP 25 N -4.60 0.39 0.06 0.41 8.00 -0.66 -2.77 116.55 117.38 1ap4 n ASP 25 Ca 0.12 0.59 -0.14 0.00 0.71 0.00 0.00 54.79 56.07 1ap4 n ASP 25 Cb 0.14 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.27 0.00 0.53 2.04 -0.63 -3.33 117.51 117.40 1ap4 h ILE 26 Ca 0.00 -2.94 -0.14 0.00 1.00 0.00 0.00 64.86 62.78 1ap4 h ILE 26 Cb 0.35 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1ap4 h ILE 26 CO 0.00 0.82 -0.66 -0.26 0.00 0.00 0.00 178.15 178.05 1ap4 h PHE 27 N 0.05 0.00 -0.10 1.37 0.04 -1.32 -3.04 116.94 113.94 1ap4 h PHE 27 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1ap4 h PHE 27 Cb 1.96 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.11 1ap4 h PHE 27 CO 0.04 0.66 0.00 1.33 -0.60 0.00 0.00 178.31 179.75 1ap4 n VAL 28 N -3.45 0.22 -0.25 -0.55 0.24 -1.18 -4.13 118.33 109.23 1ap4 n VAL 28 Ca 0.00 -0.17 0.19 0.00 -2.04 0.00 0.00 64.34 62.32 1ap4 n VAL 28 Cb 0.73 -0.08 0.50 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.64 0.42 -2.98 1.34 4.07 -1.64 0.91 115.31 118.07 1ap4 h LEU 29 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ap4 h LEU 29 Cb 0.31 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1ap4 h LEU 29 CO 0.02 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.16 1ap4 n GLY 30 N -1.51 3.11 3.66 0.83 0.00 -1.26 -5.02 105.19 105.01 1ap4 n GLY 30 Ca 0.19 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1ap4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 s ALA 31 N -1.45 0.93 -0.19 4.61 0.00 0.31 -5.01 121.76 120.95 1ap4 s ALA 31 Ca 0.26 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1ap4 s ALA 31 Cb 0.17 -2.94 -0.12 0.00 0.00 0.00 0.00 23.12 20.23 1ap4 s ALA 31 CO 0.13 -3.20 -0.19 0.39 0.00 0.00 0.00 175.76 172.89 1ap4 n GLU 32 N -4.45 0.47 -0.01 0.00 1.02 -1.26 -4.70 120.64 111.71 1ap4 n GLU 32 Ca 0.11 0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.45 1ap4 n GLU 32 Cb 0.59 -1.35 -0.12 0.00 -0.02 0.00 0.00 31.44 30.55 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 -3.26 1.51 0.00 1.62 5.75 -1.26 -5.01 116.55 115.90 1ap4 n ASP 33 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 1ap4 n ASP 33 Cb 0.84 1.66 0.00 0.00 -1.03 0.00 0.00 41.12 42.59 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 1.66 0.57 3.19 6.12 0.00 -1.26 -5.16 105.19 110.31 1ap4 n GLY 34 Ca -0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.10 5.06 0.62 0.00 1.01 -1.16 -4.02 121.20 118.61 1ap4 s ILE 36 Ca 0.34 -2.28 -0.17 0.00 0.00 0.00 0.00 60.65 58.54 1ap4 s ILE 36 Cb 0.07 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1ap4 s ILE 36 CO 0.09 -0.94 1.14 -0.55 0.00 0.00 0.00 174.94 174.68 1ap4 s SER 37 N 2.26 5.21 0.42 3.58 0.15 -1.26 -2.66 113.70 121.41 1ap4 s SER 37 Ca 0.13 2.17 0.11 0.00 0.70 0.00 0.00 55.95 59.06 1ap4 s SER 37 Cb -0.18 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.51 1ap4 s SER 37 CO -0.05 -1.57 2.01 0.00 1.20 0.00 0.00 173.24 174.83 1ap4 h THR 38 N 0.52 0.98 -1.00 6.45 1.03 -1.97 -1.38 112.91 117.54 1ap4 h THR 38 Ca -0.49 -0.16 0.16 0.00 -0.01 0.00 0.00 66.41 65.91 1ap4 h THR 38 Cb 1.27 0.45 -0.09 0.00 -1.07 0.00 0.00 68.15 68.71 1ap4 h THR 38 CO 0.55 0.09 0.62 0.50 -0.01 0.00 0.00 175.52 177.26 1ap4 h LYS 39 N 0.48 0.81 -1.13 0.00 1.63 -1.97 -0.67 116.57 115.73 1ap4 h LYS 39 Ca 0.23 -0.05 -0.66 0.00 -0.85 0.00 0.00 60.65 59.32 1ap4 h LYS 39 Cb 0.31 -0.18 -0.32 0.00 -0.60 0.00 0.00 32.23 31.43 1ap4 h LYS 39 CO -0.06 0.54 0.50 0.39 -3.45 0.00 0.00 179.45 177.36 1ap4 n GLU 40 N -4.69 2.92 -0.01 1.90 1.02 -0.53 -4.51 120.64 116.75 1ap4 n GLU 40 Ca 0.21 -3.56 -0.02 0.00 -0.02 0.00 0.00 57.16 53.78 1ap4 n GLU 40 Cb 0.49 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.80 1.09 -0.27 -4.62 0.00 -0.26 -4.43 117.00 107.70 1ap4 n LEU 41 Ca 0.57 0.01 -0.05 0.00 0.00 0.00 0.00 56.01 56.54 1ap4 n LEU 41 Cb 0.66 -0.06 -0.00 0.00 0.00 0.00 0.00 43.42 44.01 1ap4 n LEU 41 CO 0.65 0.21 0.59 1.23 0.00 0.00 0.00 177.39 180.07 1ap4 h GLY 42 N -0.00 -0.21 2.00 -3.96 0.00 -1.79 1.60 103.07 100.71 1ap4 h GLY 42 Ca -0.05 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1ap4 h GLY 42 CO -0.02 -0.17 -0.03 0.50 0.00 0.00 0.00 176.54 176.82 1ap4 h LYS 43 N -0.12 0.00 0.01 4.80 1.57 -1.87 -2.97 116.57 117.99 1ap4 h LYS 43 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1ap4 h LYS 43 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1ap4 h LYS 43 CO -0.80 0.03 -0.08 0.28 -0.57 0.00 0.00 179.45 178.31 1ap4 h VAL 44 N 0.00 1.76 -0.80 0.50 2.07 0.19 -3.15 116.25 116.82 1ap4 h VAL 44 Ca -0.00 -2.33 0.23 0.00 0.82 0.00 0.00 66.70 65.42 1ap4 h VAL 44 Cb 0.29 3.34 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1ap4 h VAL 44 CO 0.00 0.61 0.63 0.24 0.02 0.00 0.00 177.57 179.07 1ap4 h MET 45 N -0.92 0.00 0.02 1.57 2.86 -0.16 0.37 114.93 118.67 1ap4 h MET 45 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.41 1ap4 h MET 45 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1ap4 h MET 45 CO 0.01 0.00 -0.95 0.00 1.06 0.00 0.00 176.91 177.03 1ap4 h ARG 46 N 0.00 0.23 0.60 1.72 3.08 -1.57 0.74 114.38 119.17 1ap4 h ARG 46 Ca 0.38 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1ap4 h ARG 46 Cb 1.63 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.77 1ap4 h ARG 46 CO -0.00 1.02 -0.29 0.52 -1.07 0.00 0.00 179.97 180.15 1ap4 h MET 47 N 0.11 -0.77 -0.01 0.04 2.86 -0.22 -3.34 114.93 113.61 1ap4 h MET 47 Ca -0.06 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ap4 h MET 47 Cb 1.61 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 1ap4 h MET 47 CO 0.15 -0.51 -0.02 -0.07 1.06 0.00 0.00 176.91 177.52 1ap4 h LEU 48 N -1.01 -0.06 0.00 1.22 3.38 -1.61 -3.45 115.31 113.79 1ap4 h LEU 48 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ap4 h LEU 48 Cb 0.61 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ap4 h LEU 48 CO 0.13 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1ap4 n GLY 49 N -1.01 0.00 3.52 0.83 0.00 -1.18 -5.14 105.19 102.20 1ap4 n GLY 49 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.77 -0.42 1.61 -1.52 0.26 -5.01 119.66 116.34 1ap4 s GLN 50 Ca 0.00 -1.98 0.08 0.00 -1.95 0.00 0.00 55.36 51.51 1ap4 s GLN 50 Cb 0.00 -1.23 0.28 0.00 -0.22 0.00 0.00 33.01 31.84 1ap4 s GLN 50 CO 0.00 -0.10 0.74 0.09 -0.25 0.00 0.00 175.29 175.77 1ap4 n ASN 51 N -0.79 -0.84 -4.79 5.90 3.02 -1.26 -3.45 115.26 113.05 1ap4 n ASN 51 Ca -0.04 -3.05 -0.33 0.00 -0.03 0.00 0.00 54.58 51.13 1ap4 n ASN 51 Cb 0.66 0.35 0.02 0.00 -0.61 0.00 0.00 39.78 40.21 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 -0.74 3.17 0.81 3.52 0.04 -1.26 -5.05 135.00 135.49 1ap4 s PRO 52 Ca 0.34 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 1ap4 s PRO 52 Cb 0.24 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.90 1ap4 s PRO 52 CO -0.13 -0.94 1.14 0.95 0.04 0.00 0.00 177.00 178.05 1ap4 s THR 53 N -2.36 2.12 0.12 1.26 -4.23 -1.26 -4.88 115.64 106.41 1ap4 s THR 53 Ca 0.65 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 1ap4 s THR 53 Cb -0.18 -2.89 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 1ap4 s THR 53 CO 0.37 0.00 1.35 1.55 -0.54 0.00 0.00 174.62 177.35 1ap4 h PRO 54 N -1.00 0.75 0.00 3.99 0.13 -2.00 -1.34 132.00 132.52 1ap4 h PRO 54 Ca -0.43 -0.58 -0.08 0.00 -0.87 0.00 0.00 66.00 64.05 1ap4 h PRO 54 Cb 1.27 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1ap4 h PRO 54 CO 0.47 1.20 -0.36 1.49 -0.23 0.00 0.00 178.00 180.57 1ap4 h GLU 55 N 0.52 0.00 0.00 0.86 4.22 -2.04 -3.24 114.58 114.91 1ap4 h GLU 55 Ca -0.04 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 1ap4 h GLU 55 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1ap4 h GLU 55 CO 0.15 0.36 -1.14 0.93 -2.18 0.00 0.00 179.01 177.14 1ap4 h GLU 56 N 0.00 0.00 0.00 1.92 5.08 -1.93 -3.33 114.58 116.31 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 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ap4 h GLU 56 CO 0.05 0.34 0.00 -0.11 -1.00 0.00 0.00 179.01 178.28 1ap4 n LEU 57 N -2.97 0.00 -0.16 1.33 7.94 -0.51 0.36 117.00 122.98 1ap4 n LEU 57 Ca -0.06 0.69 -0.03 0.00 -1.11 0.00 0.00 56.01 55.51 1ap4 n LEU 57 Cb 0.80 -0.19 0.07 0.00 0.53 0.00 0.00 43.42 44.62 1ap4 n LEU 57 CO 0.42 -0.19 0.94 -0.61 -1.11 0.00 0.00 177.39 176.84 1ap4 h GLN 58 N 0.00 0.29 -0.13 1.96 5.75 -1.77 -2.65 115.11 118.55 1ap4 h GLN 58 Ca 0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1ap4 h GLN 58 Cb 0.00 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1ap4 h GLN 58 CO 0.00 0.19 -0.44 1.49 -2.65 0.00 0.00 178.83 177.43 1ap4 h GLU 59 N 0.30 -0.43 -0.75 1.69 4.81 -1.53 1.63 114.58 120.31 1ap4 h GLU 59 Ca 0.25 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.68 1ap4 h GLU 59 Cb 0.30 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.66 1ap4 h GLU 59 CO -0.29 -0.29 0.08 0.52 -0.73 0.00 0.00 179.01 178.31 1ap4 h MET 60 N -0.45 0.16 0.17 1.92 2.86 0.16 0.56 114.93 120.32 1ap4 h MET 60 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1ap4 h MET 60 Cb 0.53 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1ap4 h MET 60 CO -0.36 0.10 -0.08 0.82 1.06 0.00 0.00 176.91 178.45 1ap4 h ILE 61 N 0.16 0.88 -0.22 -1.22 2.04 -0.88 -2.36 117.51 115.92 1ap4 h ILE 61 Ca 0.42 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1ap4 h ILE 61 Cb 0.74 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1ap4 h ILE 61 CO -0.60 0.21 0.25 -0.78 0.00 0.00 0.00 178.15 177.23 1ap4 h ASP 62 N -0.80 0.00 0.05 1.72 1.82 0.30 0.88 116.42 120.38 1ap4 h ASP 62 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1ap4 h ASP 62 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1ap4 h ASP 62 CO 0.04 0.00 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.32 1ap4 h GLU 63 N 0.00 -0.06 0.00 0.28 4.39 0.19 -3.31 114.58 116.07 1ap4 h GLU 63 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ap4 h GLU 63 Cb 0.61 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1ap4 h GLU 63 CO -0.00 0.53 -0.01 -0.24 -1.16 0.00 0.00 179.01 178.13 1ap4 h VAL 64 N -0.93 0.02 -0.90 3.13 3.04 -0.89 -3.40 116.25 116.33 1ap4 h VAL 64 Ca -0.01 -0.85 -0.54 0.00 -1.01 0.00 0.00 66.70 64.30 1ap4 h VAL 64 Cb 0.62 1.83 -0.08 0.00 -2.01 0.00 0.00 31.29 31.65 1ap4 h VAL 64 CO 0.01 0.01 1.52 -0.62 -1.01 0.00 0.00 177.57 177.48 1ap4 s ASP 65 N -6.03 6.20 -0.20 3.17 2.15 0.30 -4.72 116.67 117.54 1ap4 s ASP 65 Ca 0.05 -1.63 0.15 0.00 0.43 0.00 0.00 52.55 51.55 1ap4 s ASP 65 Cb 0.06 -2.57 0.79 0.00 -0.30 0.00 0.00 42.92 40.90 1ap4 s ASP 65 CO 0.63 -1.80 1.71 -0.62 -0.17 0.00 0.00 175.17 174.91 1ap4 n GLU 66 N 8.67 4.52 0.03 4.34 1.02 -1.26 -4.27 120.64 133.69 1ap4 n GLU 66 Ca 0.40 -3.07 -0.05 0.00 -0.02 0.00 0.00 57.16 54.42 1ap4 n GLU 66 Cb 0.48 -2.15 -0.11 0.00 -0.02 0.00 0.00 31.44 29.65 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ap4 h ASP 67 N 4.06 0.00 0.00 1.62 3.32 -1.95 -3.48 116.42 119.99 1ap4 h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ap4 h ASP 67 Cb 1.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.36 1ap4 h ASP 67 CO 0.41 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 179.39 1ap4 n GLY 68 N 1.44 0.60 0.08 2.75 0.00 -1.26 -4.93 105.19 103.88 1ap4 n GLY 68 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.12 0.00 1.61 4.64 -1.92 -3.48 113.55 114.52 1ap4 h SER 69 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1ap4 h SER 69 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ap4 h SER 69 CO 0.00 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 1ap4 n GLY 70 N 1.54 0.64 3.33 -0.77 0.00 -1.26 -5.06 105.19 103.61 1ap4 n GLY 70 Ca -0.12 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 1.55 -0.41 2.61 -4.23 -1.26 -4.61 115.64 107.28 1ap4 s THR 71 Ca 0.00 -2.15 -0.13 0.00 -1.18 0.00 0.00 61.69 58.23 1ap4 s THR 71 Cb 0.00 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1ap4 s THR 71 CO 0.00 -0.57 0.28 -0.69 -0.54 0.00 0.00 174.62 173.10 1ap4 s VAL 72 N -3.09 4.84 0.60 2.29 1.01 -1.09 -4.91 120.40 120.06 1ap4 s VAL 72 Ca 0.22 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ap4 s VAL 72 Cb 0.01 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1ap4 s VAL 72 CO 0.06 -0.38 0.85 -0.62 0.00 0.00 0.00 175.10 175.01 1ap4 s ASP 73 N 1.92 5.05 0.26 3.32 2.15 -1.26 -2.98 116.67 125.13 1ap4 s ASP 73 Ca 0.03 0.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.97 1ap4 s ASP 73 Cb -0.21 -0.78 0.48 0.00 -0.30 0.00 0.00 42.92 42.10 1ap4 s ASP 73 CO 0.07 -1.34 1.60 0.15 -0.17 0.00 0.00 175.17 175.48 1ap4 h PHE 74 N -0.15 -0.22 0.00 -5.34 3.57 -1.97 1.39 116.94 114.23 1ap4 h PHE 74 Ca -0.42 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1ap4 h PHE 74 Cb 1.30 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1ap4 h PHE 74 CO 0.28 -0.33 0.00 -3.47 -2.23 0.00 0.00 178.31 172.55 1ap4 n ASP 75 N -5.46 0.00 -0.27 0.41 -0.08 -1.26 -1.98 116.55 107.91 1ap4 n ASP 75 Ca 0.15 0.71 0.08 0.00 -1.51 0.00 0.00 54.79 54.22 1ap4 n ASP 75 Cb 0.52 -0.21 0.22 0.00 2.34 0.00 0.00 41.12 43.98 1ap4 n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ap4 h GLU 76 N 0.00 0.38 -0.73 -0.67 5.08 -1.83 -1.42 114.58 115.39 1ap4 h GLU 76 Ca 0.00 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1ap4 h GLU 76 Cb 0.00 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.04 1ap4 h GLU 76 CO 0.00 0.25 -0.40 0.35 -1.00 0.00 0.00 179.01 178.22 1ap4 h PHE 77 N 0.39 -1.14 -0.57 4.33 3.57 0.20 0.18 116.94 123.90 1ap4 h PHE 77 Ca 0.46 0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.94 1ap4 h PHE 77 Cb 0.77 0.60 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1ap4 h PHE 77 CO -0.18 -0.40 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.39 1ap4 h LEU 78 N -0.12 1.01 -1.53 0.59 3.38 -0.63 -2.70 115.31 115.30 1ap4 h LEU 78 Ca 0.25 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 58.05 1ap4 h LEU 78 Cb 0.56 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1ap4 h LEU 78 CO -0.79 1.08 0.50 0.58 0.09 0.00 0.00 178.44 179.90 1ap4 h VAL 79 N 0.93 0.83 -0.20 1.22 2.07 -0.05 0.89 116.25 121.93 1ap4 h VAL 79 Ca 0.16 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1ap4 h VAL 79 Cb 0.59 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1ap4 h VAL 79 CO 0.04 0.09 -0.44 -0.03 0.02 0.00 0.00 177.57 177.24 1ap4 h MET 80 N 0.48 0.50 0.14 1.57 4.05 -0.74 -2.47 114.93 118.46 1ap4 h MET 80 Ca 0.36 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1ap4 h MET 80 Cb 0.75 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1ap4 h MET 80 CO -0.12 0.84 -0.07 0.52 0.23 0.00 0.00 176.91 178.31 1ap4 h MET 81 N 0.40 -0.19 -0.85 0.39 2.07 -0.84 -3.05 114.93 112.87 1ap4 h MET 81 Ca 0.03 0.01 0.23 0.00 -2.07 0.00 0.00 59.70 57.90 1ap4 h MET 81 Cb 0.93 0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.66 1ap4 h MET 81 CO 0.08 0.26 0.60 -0.24 1.07 0.00 0.00 176.91 178.68 1ap4 h VAL 82 N -0.77 0.61 0.12 -2.22 3.04 -1.12 0.29 116.25 116.21 1ap4 h VAL 82 Ca -0.02 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1ap4 h VAL 82 Cb 0.53 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1ap4 h VAL 82 CO 0.03 0.02 -0.09 0.03 -1.01 0.00 0.00 177.57 176.56 1ap4 h ARG 83 N 0.12 -0.19 0.00 4.17 3.08 -1.32 -2.91 114.38 117.32 1ap4 h ARG 83 Ca 0.42 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.43 1ap4 h ARG 83 Cb 1.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1ap4 h ARG 83 CO -0.06 -0.13 -0.24 0.00 -1.07 0.00 0.00 179.97 178.47 1ap4 n MET 85 N -3.95 -2.51 -1.58 0.00 2.81 0.97 -4.88 117.12 107.98 1ap4 n MET 85 Ca -0.02 -0.40 -0.38 0.00 -1.81 0.00 0.00 57.70 55.09 1ap4 n MET 85 Cb 0.32 -0.49 0.05 0.00 -0.71 0.00 0.00 33.22 32.39 1ap4 n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1ap4 n LYS 86 N -2.88 0.81 -0.13 0.03 2.85 -1.26 -4.92 118.16 112.67 1ap4 n LYS 86 Ca 0.04 0.32 0.03 0.00 -1.05 0.00 0.00 58.31 57.65 1ap4 n LYS 86 Cb 0.16 -2.06 0.04 0.00 -0.65 0.00 0.00 35.03 32.52 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ap4 n ASP 87 N -0.47 1.32 -0.28 -5.58 2.03 -1.26 -4.81 116.55 107.50 1ap4 n ASP 87 Ca 0.13 -2.16 0.10 0.00 0.52 0.00 0.00 54.79 53.38 1ap4 n ASP 87 Cb 0.47 -0.18 0.25 0.00 -0.72 0.00 0.00 41.12 40.94 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1ap4 h ASP 88 N 0.00 0.23 -0.00 1.67 3.32 -1.99 -3.55 116.42 116.10 1ap4 h ASP 88 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ap4 h ASP 88 Cb 0.94 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1ap4 h ASP 88 CO 0.00 0.01 0.00 -1.20 -1.72 0.00 0.00 179.24 176.33