#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dv5 n ASP 3 N 0.00 -0.96 -0.02 0.00 8.00 -1.26 -2.99 116.55 119.32 1dv5 n ASP 3 Ca 0.00 0.00 0.22 0.00 0.71 0.00 0.00 54.79 55.72 1dv5 n ASP 3 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.59 1dv5 n ASP 3 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1dv5 h GLU 4 N 0.00 0.00 0.00 -1.24 4.57 -2.04 1.57 114.58 117.44 1dv5 h GLU 4 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dv5 h GLU 4 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1dv5 h GLU 4 CO 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 179.01 177.99 1dv5 h ALA 5 N 0.76 1.15 0.13 2.92 0.00 -1.95 1.00 119.26 123.27 1dv5 h ALA 5 Ca 0.32 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 1dv5 h ALA 5 Cb 2.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1dv5 h ALA 5 CO -0.00 -0.15 -1.32 0.82 0.00 0.00 0.00 179.25 178.60 1dv5 h ILE 6 N 0.00 1.13 -0.27 0.00 2.04 0.21 -0.50 117.51 120.12 1dv5 h ILE 6 Ca 0.00 -2.44 -0.19 0.00 1.00 0.00 0.00 64.86 63.23 1dv5 h ILE 6 Cb 0.33 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1dv5 h ILE 6 CO 0.00 0.72 -0.57 0.50 0.00 0.00 0.00 178.15 178.80 1dv5 h LYS 7 N -0.28 0.85 0.23 2.37 3.64 -0.81 -2.25 116.57 120.32 1dv5 h LYS 7 Ca -0.27 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.55 1dv5 h LYS 7 Cb 1.77 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1dv5 h LYS 7 CO 0.09 1.18 -0.11 -0.97 -2.27 0.00 0.00 179.45 177.37 1dv5 h ASN 8 N 0.64 -0.26 -1.10 4.20 -0.73 0.74 -2.77 115.58 116.30 1dv5 h ASN 8 Ca 0.01 -0.24 0.32 0.00 1.87 0.00 0.00 56.30 58.25 1dv5 h ASN 8 Cb 1.17 0.07 -0.11 0.00 0.27 0.00 0.00 38.32 39.72 1dv5 h ASN 8 CO 0.12 0.24 0.69 1.23 -0.37 0.00 0.00 177.43 179.35 1dv5 h GLY 9 N -0.93 1.42 0.78 1.57 0.00 -1.16 1.15 103.07 105.91 1dv5 h GLY 9 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1dv5 h GLY 9 CO 0.05 -0.27 -0.09 -2.08 0.00 0.00 0.00 176.54 174.16 1dv5 h VAL 10 N 0.32 0.89 -0.75 4.60 2.07 -1.39 0.18 116.25 122.17 1dv5 h VAL 10 Ca 0.68 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1dv5 h VAL 10 Cb 1.78 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1dv5 h VAL 10 CO -0.39 0.10 0.26 0.25 0.02 0.00 0.00 177.57 177.82 1dv5 h LEU 11 N -0.48 1.06 -1.76 2.57 5.85 -0.22 0.61 115.31 122.94 1dv5 h LEU 11 Ca -0.03 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1dv5 h LEU 11 Cb 0.37 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1dv5 h LEU 11 CO 0.04 0.97 -0.15 -0.78 -0.34 0.00 0.00 178.44 178.17 1dv5 h ASP 12 N 1.11 0.00 0.39 1.25 1.82 0.13 0.89 116.42 122.01 1dv5 h ASP 12 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1dv5 h ASP 12 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1dv5 h ASP 12 CO -0.01 0.15 -0.77 -0.38 -1.61 0.00 0.00 179.24 176.63 1dv5 n ILE 13 N -4.11 0.07 -0.09 2.25 5.41 0.62 -3.03 119.36 120.48 1dv5 n ILE 13 Ca -0.02 -0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.42 1dv5 n ILE 13 Cb 0.23 0.37 -0.12 0.00 -0.71 0.00 0.00 39.64 39.42 1dv5 n ILE 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1dv5 n LEU 14 N -1.67 2.01 0.18 1.39 7.94 0.20 -2.77 117.00 124.28 1dv5 n LEU 14 Ca 0.04 0.37 0.03 0.00 -1.11 0.00 0.00 56.01 55.34 1dv5 n LEU 14 Cb 0.37 -0.98 0.39 0.00 0.53 0.00 0.00 43.42 43.73 1dv5 n LEU 14 CO 0.38 0.40 0.79 0.00 -1.11 0.00 0.00 177.39 177.86 1dv5 h ALA 15 N -0.44 1.48 -0.08 1.96 0.00 0.53 -1.65 119.26 121.06 1dv5 h ALA 15 Ca -0.39 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.03 1dv5 h ALA 15 Cb 1.46 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1dv5 h ALA 15 CO -0.18 0.39 -0.83 -0.44 0.00 0.00 0.00 179.25 178.19 1dv5 h ASP 16 N 0.05 0.70 0.41 0.00 3.32 -1.69 -0.54 116.42 118.68 1dv5 h ASP 16 Ca 0.01 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1dv5 h ASP 16 Cb 0.53 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1dv5 h ASP 16 CO 0.04 1.27 -0.20 0.25 -1.72 0.00 0.00 179.24 178.88 1dv5 h LEU 17 N 0.37 -0.47 -0.29 1.55 5.85 -1.22 -3.01 115.31 118.09 1dv5 h LEU 17 Ca -0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1dv5 h LEU 17 Cb 1.44 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1dv5 h LEU 17 CO 0.15 -0.30 0.16 0.71 -0.34 0.00 0.00 178.44 178.82 1dv5 h THR 18 N -0.60 1.12 0.00 1.05 1.35 -1.37 -3.47 112.91 111.00 1dv5 h THR 18 Ca -0.06 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1dv5 h THR 18 Cb 0.45 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1dv5 h THR 18 CO 0.09 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1dv5 n GLY 19 N -0.97 0.92 3.58 5.82 0.00 -0.22 -4.99 105.19 109.33 1dv5 n GLY 19 Ca -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1dv5 n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dv5 s SER 20 N -2.04 3.16 -0.69 1.61 0.01 -1.15 -5.03 113.70 109.58 1dv5 s SER 20 Ca 0.00 -1.66 0.05 0.00 1.31 0.00 0.00 55.95 55.65 1dv5 s SER 20 Cb 0.00 0.48 0.17 0.00 0.21 0.00 0.00 66.02 66.88 1dv5 s SER 20 CO 0.00 -0.89 0.49 -0.62 0.41 0.00 0.00 173.24 172.62 1dv5 s ASP 21 N -3.68 4.60 0.00 2.44 -1.08 -1.26 -4.67 116.67 113.03 1dv5 s ASP 21 Ca 0.19 -3.81 0.00 0.00 -0.52 0.00 0.00 52.55 48.41 1dv5 s ASP 21 Cb 0.03 -1.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.93 1dv5 s ASP 21 CO 0.12 -0.09 0.00 -0.67 0.52 0.00 0.00 175.17 175.05 1dv5 n ASP 22 N 2.01 0.00 0.00 -0.34 2.03 -1.26 -4.79 116.55 114.20 1dv5 n ASP 22 Ca 0.21 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.64 1dv5 n ASP 22 Cb 0.36 0.01 0.58 0.00 -0.72 0.00 0.00 41.12 41.34 1dv5 n ASP 22 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1dv5 n VAL 23 N -1.88 0.19 0.17 5.18 3.14 -1.26 -1.35 118.33 122.51 1dv5 n VAL 23 Ca 0.00 0.05 0.05 0.00 -2.96 0.00 0.00 64.34 61.47 1dv5 n VAL 23 Cb 0.00 -0.60 0.24 0.00 -1.06 0.00 0.00 33.84 32.42 1dv5 n VAL 23 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1dv5 h LYS 24 N 0.00 0.00 0.00 1.45 3.64 -1.87 -3.37 116.57 116.42 1dv5 h LYS 24 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1dv5 h LYS 24 Cb 0.42 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1dv5 h LYS 24 CO 0.00 0.43 -0.89 1.17 -2.27 0.00 0.00 179.45 177.88 1dv5 n LYS 25 N -3.43 0.41 -2.03 1.90 0.00 -1.08 -4.96 118.16 108.97 1dv5 n LYS 25 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 58.31 58.06 1dv5 n LYS 25 Cb 0.58 -1.22 -0.03 0.00 0.00 0.00 0.00 35.03 34.37 1dv5 n LYS 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1dv5 s ASN 26 N -6.02 6.69 -0.42 3.14 0.01 -0.46 -4.90 114.94 112.98 1dv5 s ASN 26 Ca -0.23 2.46 0.05 0.00 -0.71 0.00 0.00 52.86 54.43 1dv5 s ASN 26 Cb 0.04 -2.58 0.51 0.00 0.41 0.00 0.00 41.25 39.62 1dv5 s ASN 26 CO 0.33 -0.77 1.64 0.18 -1.51 0.00 0.00 177.10 176.98 1dv5 n LEU 27 N 4.35 5.74 -1.05 0.60 4.77 -1.26 -4.32 117.00 125.82 1dv5 n LEU 27 Ca 0.13 -4.10 -0.03 0.00 -0.03 0.00 0.00 56.01 51.98 1dv5 n LEU 27 Cb 0.40 -0.70 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1dv5 n LEU 27 CO 0.60 1.47 0.24 -0.67 -1.33 0.00 0.00 177.39 177.70 1dv5 n ASP 28 N -0.99 -0.58 -3.39 -1.43 2.03 -1.26 -3.24 116.55 107.70 1dv5 n ASP 28 Ca 0.48 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.62 1dv5 n ASP 28 Cb 1.03 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.63 1dv5 n ASP 28 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1dv5 n LEU 29 N -0.18 0.00 -3.50 -2.67 7.94 -1.26 -4.91 117.00 112.42 1dv5 n LEU 29 Ca -0.14 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.48 1dv5 n LEU 29 Cb 0.53 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.37 1dv5 n LEU 29 CO -0.08 -0.32 -0.29 0.20 -1.11 0.00 0.00 177.39 175.79 1dv5 s ASN 30 N -1.49 2.68 0.65 1.96 0.02 -1.26 -4.40 114.94 113.10 1dv5 s ASN 30 Ca 0.00 -2.62 0.29 0.00 -1.02 0.00 0.00 52.86 49.51 1dv5 s ASN 30 Cb 0.00 -0.58 1.58 0.00 0.02 0.00 0.00 41.25 42.27 1dv5 s ASN 30 CO 0.00 -0.25 1.88 -0.07 0.02 0.00 0.00 177.10 178.69 1dv5 h LEU 31 N 6.46 0.00 0.00 0.60 3.38 -1.49 1.49 115.31 125.75 1dv5 h LEU 31 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1dv5 h LEU 31 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1dv5 h LEU 31 CO 0.36 0.00 -0.96 0.49 0.09 0.00 0.00 178.44 178.42 1dv5 n PHE 32 N -2.84 0.54 0.27 1.13 3.01 -1.26 -0.06 117.46 118.24 1dv5 n PHE 32 Ca -0.02 0.23 0.07 0.00 1.01 0.00 0.00 57.45 58.74 1dv5 n PHE 32 Cb 0.37 -0.74 0.33 0.00 -0.01 0.00 0.00 39.48 39.43 1dv5 n PHE 32 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1dv5 n GLU 33 N -4.51 0.08 0.06 -1.08 0.00 -0.84 -0.66 120.64 113.69 1dv5 n GLU 33 Ca -0.17 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.55 1dv5 n GLU 33 Cb 0.46 -1.68 0.06 0.00 0.00 0.00 0.00 31.44 30.28 1dv5 n GLU 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1dv5 n THR 34 N -1.83 0.38 -0.88 6.31 -1.04 0.50 -4.93 114.28 112.79 1dv5 n THR 34 Ca 0.01 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1dv5 n THR 34 Cb 0.11 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1dv5 n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dv5 n GLY 35 N 1.29 0.58 0.20 3.41 0.00 0.17 -4.84 105.19 106.00 1dv5 n GLY 35 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1dv5 n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dv5 h LEU 36 N 0.00 0.25 -9.26 0.99 3.38 -1.78 -3.45 115.31 105.44 1dv5 h LEU 36 Ca 0.00 -0.10 -0.49 0.00 0.09 0.00 0.00 57.88 57.38 1dv5 h LEU 36 Cb 0.09 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.64 1dv5 h LEU 36 CO 0.00 0.62 -0.57 -0.22 0.09 0.00 0.00 178.44 178.37 1dv5 s LEU 37 N -8.27 2.01 0.00 1.67 0.20 0.91 -4.59 118.68 110.61 1dv5 s LEU 37 Ca -0.04 -1.50 0.00 0.00 0.69 0.00 0.00 54.13 53.27 1dv5 s LEU 37 Cb 0.13 -0.20 0.00 0.00 -0.43 0.00 0.00 46.19 45.70 1dv5 s LEU 37 CO 0.77 -0.77 0.00 0.47 -0.29 0.00 0.00 176.35 176.53 1dv5 n ASP 38 N -0.91 0.00 0.00 3.68 8.00 -1.26 -4.53 116.55 121.52 1dv5 n ASP 38 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1dv5 n ASP 38 Cb 0.66 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1dv5 n ASP 38 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1dv5 n SER 39 N -2.27 0.00 -0.30 -2.24 2.88 -1.26 -4.95 113.62 105.48 1dv5 n SER 39 Ca 0.00 0.00 0.29 0.00 -1.33 0.00 0.00 58.87 57.83 1dv5 n SER 39 Cb 0.00 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.11 1dv5 n SER 39 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1dv5 h MET 40 N 0.00 0.16 -0.17 -1.46 2.86 -2.01 0.15 114.93 114.45 1dv5 h MET 40 Ca 0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1dv5 h MET 40 Cb 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1dv5 h MET 40 CO 0.00 0.10 0.10 0.78 1.06 0.00 0.00 176.91 178.95 1dv5 h GLY 41 N 0.16 0.23 0.00 8.32 0.00 -1.96 -2.35 103.07 107.47 1dv5 h GLY 41 Ca 0.56 -0.07 0.19 0.00 0.00 0.00 0.00 47.33 48.00 1dv5 h GLY 41 CO -0.13 0.07 0.42 -0.84 0.00 0.00 0.00 176.54 176.06 1dv5 h THR 42 N 0.20 0.60 -0.56 4.70 2.02 -1.10 0.27 112.91 119.03 1dv5 h THR 42 Ca 0.07 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.18 1dv5 h THR 42 Cb -0.00 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.36 1dv5 h THR 42 CO -0.03 0.09 0.05 0.58 0.37 0.00 0.00 175.52 176.58 1dv5 h VAL 43 N 0.51 0.60 0.33 3.16 2.07 -1.36 0.67 116.25 122.23 1dv5 h VAL 43 Ca 0.52 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.96 1dv5 h VAL 43 Cb 0.87 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1dv5 h VAL 43 CO -0.45 0.03 -0.16 -0.61 0.02 0.00 0.00 177.57 176.41 1dv5 h GLN 44 N 0.17 -0.42 -1.09 1.57 4.15 -0.61 -2.54 115.11 116.34 1dv5 h GLN 44 Ca 0.29 0.03 0.31 0.00 0.77 0.00 0.00 58.65 60.05 1dv5 h GLN 44 Cb 0.45 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 28.12 1dv5 h GLN 44 CO -0.43 -0.09 0.69 1.25 -1.93 0.00 0.00 178.83 178.31 1dv5 h LEU 45 N -0.90 0.43 -0.79 -2.39 5.85 -0.17 1.49 115.31 118.83 1dv5 h LEU 45 Ca -0.04 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1dv5 h LEU 45 Cb 0.52 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1dv5 h LEU 45 CO 0.07 0.00 0.03 -0.07 -0.34 0.00 0.00 178.44 178.14 1dv5 h LEU 46 N 0.33 0.91 -0.79 2.25 3.38 0.45 0.21 115.31 122.06 1dv5 h LEU 46 Ca 0.66 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.50 1dv5 h LEU 46 Cb 1.73 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 1dv5 h LEU 46 CO -0.37 0.96 0.43 0.25 0.09 0.00 0.00 178.44 179.79 1dv5 h LEU 47 N 0.88 0.59 0.00 1.67 7.12 0.25 0.96 115.31 126.79 1dv5 h LEU 47 Ca 0.17 0.05 -0.10 0.00 0.13 0.00 0.00 57.88 58.14 1dv5 h LEU 47 Cb 0.47 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1dv5 h LEU 47 CO 0.02 0.33 -0.48 -0.33 -0.13 0.00 0.00 178.44 177.86 1dv5 h GLU 48 N 0.72 0.00 -0.00 1.25 3.07 -0.96 -2.91 114.58 115.74 1dv5 h GLU 48 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1dv5 h GLU 48 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1dv5 h GLU 48 CO -0.26 0.46 -0.13 -0.11 -1.40 0.00 0.00 179.01 177.57 1dv5 n LEU 49 N -3.21 0.27 -0.37 1.33 7.94 0.68 -2.58 117.00 121.07 1dv5 n LEU 49 Ca 0.02 0.19 0.05 0.00 -1.11 0.00 0.00 56.01 55.16 1dv5 n LEU 49 Cb 0.72 -0.30 0.12 0.00 0.53 0.00 0.00 43.42 44.49 1dv5 n LEU 49 CO 0.40 0.06 0.59 1.67 -1.11 0.00 0.00 177.39 179.00 1dv5 n GLN 50 N -1.26 2.60 0.03 1.96 7.27 0.31 0.85 117.38 129.13 1dv5 n GLN 50 Ca 0.11 -2.14 -0.00 0.00 0.07 0.00 0.00 57.00 55.03 1dv5 n GLN 50 Cb 0.30 -1.34 -0.00 0.00 2.41 0.00 0.00 30.24 31.61 1dv5 n GLN 50 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1dv5 n SER 51 N -0.41 0.72 0.09 1.69 2.88 -1.11 -3.90 113.62 113.57 1dv5 n SER 51 Ca 0.11 0.09 0.02 0.00 -1.33 0.00 0.00 58.87 57.76 1dv5 n SER 51 Cb 0.51 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1dv5 n SER 51 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1dv5 h GLN 52 N -0.01 0.00 0.00 -1.46 1.08 -1.77 -3.36 115.11 109.58 1dv5 h GLN 52 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1dv5 h GLN 52 Cb 0.39 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1dv5 h GLN 52 CO -0.00 0.35 -1.22 1.19 -0.95 0.00 0.00 178.83 178.20 1dv5 n PHE 53 N -3.02 0.00 -3.89 2.96 3.01 -1.25 -4.80 117.46 110.47 1dv5 n PHE 53 Ca -0.04 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.16 1dv5 n PHE 53 Cb 0.77 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 1dv5 n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dv5 n GLY 54 N 2.25 -0.31 3.85 1.37 0.00 -0.78 -4.83 105.19 106.74 1dv5 n GLY 54 Ca -0.01 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1dv5 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dv5 s VAL 55 N -3.68 4.56 -0.52 1.61 0.11 0.25 -4.88 120.40 117.85 1dv5 s VAL 55 Ca 0.19 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.45 1dv5 s VAL 55 Cb -0.10 -3.73 0.36 0.00 -1.53 0.00 0.00 36.38 31.38 1dv5 s VAL 55 CO 0.86 -0.71 0.95 0.47 -3.33 0.00 0.00 175.10 173.34 1dv5 n ASP 56 N -1.64 3.98 -4.84 3.54 9.92 -1.26 -4.47 116.55 121.79 1dv5 n ASP 56 Ca 0.06 -3.58 -0.32 0.00 -0.53 0.00 0.00 54.79 50.42 1dv5 n ASP 56 Cb 0.54 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1dv5 n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dv5 s ALA 57 N -3.35 3.11 1.05 2.24 0.00 -1.26 -5.07 121.76 118.49 1dv5 s ALA 57 Ca 0.47 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1dv5 s ALA 57 Cb 0.32 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.50 1dv5 s ALA 57 CO -0.14 0.00 0.53 -0.35 0.00 0.00 0.00 175.76 175.80 1dv5 n PRO 58 N -1.03 -1.24 0.00 0.00 -0.04 -1.26 -5.02 135.00 126.41 1dv5 n PRO 58 Ca 0.06 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1dv5 n PRO 58 Cb 0.54 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1dv5 n PRO 58 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1dv5 n VAL 59 N -3.16 0.00 -0.20 0.52 0.31 -1.26 -4.87 118.33 109.68 1dv5 n VAL 59 Ca 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.41 1dv5 n VAL 59 Cb 0.25 -0.01 0.05 0.00 -0.91 0.00 0.00 33.84 33.23 1dv5 n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dv5 n SER 60 N -1.75 -0.26 -2.67 4.52 3.41 -1.26 -3.97 113.62 111.65 1dv5 n SER 60 Ca 0.00 0.91 -0.04 0.00 -0.26 0.00 0.00 58.87 59.48 1dv5 n SER 60 Cb 0.00 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1dv5 n SER 60 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1dv5 n GLU 61 N -4.82 0.10 -0.66 4.33 2.13 -1.26 -5.17 120.64 115.30 1dv5 n GLU 61 Ca 0.07 -0.74 -0.01 0.00 0.66 0.00 0.00 57.16 57.14 1dv5 n GLU 61 Cb 0.24 0.04 0.01 0.00 0.27 0.00 0.00 31.44 31.99 1dv5 n GLU 61 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1dv5 n PHE 62 N 2.23 -3.42 -2.69 4.31 1.16 -1.25 -4.97 117.46 112.83 1dv5 n PHE 62 Ca 0.08 -0.08 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 1dv5 n PHE 62 Cb 0.67 -0.04 -0.00 0.00 -1.61 0.00 0.00 39.48 38.50 1dv5 n PHE 62 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1dv5 s ASP 63 N -1.21 6.85 0.61 5.98 2.15 -1.26 -4.78 116.67 125.01 1dv5 s ASP 63 Ca 0.03 -2.45 0.26 0.00 0.43 0.00 0.00 52.55 50.82 1dv5 s ASP 63 Cb -0.00 -2.52 1.14 0.00 -0.30 0.00 0.00 42.92 41.24 1dv5 s ASP 63 CO 0.02 -1.10 1.57 0.08 -0.17 0.00 0.00 175.17 175.58 1dv5 h ARG 64 N 7.80 0.00 -0.58 4.34 0.11 -1.93 1.38 114.38 125.50 1dv5 h ARG 64 Ca 0.37 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.48 1dv5 h ARG 64 Cb 0.90 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.94 1dv5 h ARG 64 CO 1.38 0.00 0.38 -0.22 0.10 0.00 0.00 179.97 181.62 1dv5 h LYS 65 N 0.00 0.67 0.00 0.08 3.64 -1.98 1.57 116.57 120.54 1dv5 h LYS 65 Ca 0.30 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1dv5 h LYS 65 Cb 1.95 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 1dv5 h LYS 65 CO -0.00 0.44 -0.72 1.49 -2.27 0.00 0.00 179.45 178.39 1dv5 h GLU 66 N 0.69 0.00 -0.55 1.90 4.81 0.15 -3.13 114.58 118.45 1dv5 h GLU 66 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1dv5 h GLU 66 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1dv5 h GLU 66 CO -0.06 0.48 0.00 0.91 -0.73 0.00 0.00 179.01 179.61 1dv5 n TRP 67 N -3.16 1.48 -0.05 0.92 7.02 -0.12 -2.60 117.44 120.93 1dv5 n TRP 67 Ca -0.00 -0.67 -0.10 0.00 -1.02 0.00 0.00 57.50 55.70 1dv5 n TRP 67 Cb 0.77 -0.31 -0.15 0.00 -2.42 0.00 0.00 31.31 29.20 1dv5 n TRP 67 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1dv5 n ASP 68 N 0.71 0.62 -4.59 -0.99 2.03 0.52 -4.89 116.55 109.96 1dv5 n ASP 68 Ca 0.25 0.23 -0.24 0.00 0.52 0.00 0.00 54.79 55.55 1dv5 n ASP 68 Cb 0.94 0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 41.56 1dv5 n ASP 68 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dv5 s THR 69 N -2.55 3.18 0.15 5.18 -4.23 -1.26 -1.17 115.64 114.94 1dv5 s THR 69 Ca -0.09 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1dv5 s THR 69 Cb 0.07 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 71.08 1dv5 s THR 69 CO 0.82 -0.35 1.36 1.55 -0.54 0.00 0.00 174.62 177.46 1dv5 h PRO 70 N 2.11 0.39 0.31 3.99 0.13 -1.82 -2.74 132.00 134.37 1dv5 h PRO 70 Ca -0.43 -0.38 -0.02 0.00 -0.87 0.00 0.00 66.00 64.30 1dv5 h PRO 70 Cb 1.25 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1dv5 h PRO 70 CO 0.59 1.04 -0.15 -0.91 -0.23 0.00 0.00 178.00 178.35 1dv5 h ASN 71 N 0.24 -0.36 -0.74 1.44 2.35 -1.91 0.73 115.58 117.33 1dv5 h ASN 71 Ca -0.06 -0.17 0.21 0.00 -0.55 0.00 0.00 56.30 55.73 1dv5 h ASN 71 Cb 1.47 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.90 1dv5 h ASN 71 CO 0.15 0.01 0.53 0.11 -1.65 0.00 0.00 177.43 176.57 1dv5 h LYS 72 N -0.76 0.06 0.13 0.81 1.57 -1.77 0.27 116.57 116.87 1dv5 h LYS 72 Ca -0.04 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1dv5 h LYS 72 Cb 0.50 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.82 1dv5 h LYS 72 CO 0.07 0.04 -0.75 0.82 -0.57 0.00 0.00 179.45 179.06 1dv5 h ILE 73 N 0.06 1.53 -0.07 1.86 2.04 -1.16 -3.13 117.51 118.65 1dv5 h ILE 73 Ca 0.36 -2.52 0.02 0.00 1.00 0.00 0.00 64.86 63.72 1dv5 h ILE 73 Cb 1.33 3.21 -0.00 0.00 -0.74 0.00 0.00 36.82 40.62 1dv5 h ILE 73 CO -0.03 0.71 0.10 0.40 0.00 0.00 0.00 178.15 179.33 1dv5 h ILE 74 N -0.41 0.37 -0.00 -0.67 2.04 0.31 1.09 117.51 120.23 1dv5 h ILE 74 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1dv5 h ILE 74 Cb 1.59 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1dv5 h ILE 74 CO 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 178.08 1dv5 n ALA 75 N -2.25 2.92 0.48 1.87 0.00 0.67 -2.59 120.51 121.61 1dv5 n ALA 75 Ca -0.01 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.26 1dv5 n ALA 75 Cb 0.19 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 1dv5 n ALA 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dv5 n LYS 76 N -1.17 0.48 -0.00 0.00 4.76 0.36 -3.06 118.16 119.52 1dv5 n LYS 76 Ca 0.10 -0.09 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1dv5 n LYS 76 Cb 0.31 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 31.89 1dv5 n LYS 76 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1dv5 n VAL 77 N -1.84 1.75 0.37 -0.18 0.31 -0.47 -3.68 118.33 114.60 1dv5 n VAL 77 Ca 0.00 -0.68 0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1dv5 n VAL 77 Cb 0.43 -1.62 0.18 0.00 -0.91 0.00 0.00 33.84 31.92 1dv5 n VAL 77 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1dv5 h GLU 78 N 0.06 0.00 -0.63 5.55 -0.00 -1.69 -3.20 114.58 114.68 1dv5 h GLU 78 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.95 1dv5 h GLU 78 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.78 1dv5 h GLU 78 CO 0.08 0.00 0.00 0.94 -0.00 0.00 0.00 179.01 180.03 1dv5 n GLN 79 N -2.56 4.43 -0.01 1.06 -0.06 -1.17 -4.12 117.38 114.95 1dv5 n GLN 79 Ca 0.03 -2.83 -0.01 0.00 -2.00 0.00 0.00 57.00 52.20 1dv5 n GLN 79 Cb 0.49 -2.16 -0.00 0.00 -4.06 0.00 0.00 30.24 24.50 1dv5 n GLN 79 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dv5 n ALA 80 N 0.61 2.08 0.00 1.69 0.00 -1.21 -4.96 120.51 118.73 1dv5 n ALA 80 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1dv5 n ALA 80 Cb 1.08 0.48 0.00 0.00 0.00 0.00 0.00 19.45 21.01 1dv5 n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54