#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m59 s VAL 4 N 0.00 0.85 -0.20 0.00 0.11 -1.26 -5.13 120.40 114.77 1m59 s VAL 4 Ca 0.00 -0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 58.55 1m59 s VAL 4 Cb 0.00 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1m59 s VAL 4 CO 0.00 0.27 0.21 -0.54 -3.33 0.00 0.00 175.10 171.71 1m59 s LYS 5 N 0.27 4.17 -0.13 1.54 1.02 -1.26 -5.02 119.74 120.32 1m59 s LYS 5 Ca -0.05 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.80 1m59 s LYS 5 Cb -0.10 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1m59 s LYS 5 CO 0.01 0.17 -0.05 0.71 -0.92 0.00 0.00 175.35 175.27 1m59 s TYR 6 N 0.72 3.01 0.09 3.18 2.02 -1.26 -1.13 117.35 123.98 1m59 s TYR 6 Ca 0.11 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.66 1m59 s TYR 6 Cb -0.13 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1m59 s TYR 6 CO 0.03 0.05 -0.16 0.71 -1.57 0.00 0.00 175.55 174.61 1m59 s TYR 7 N 0.08 2.61 0.32 2.71 1.51 0.05 -4.79 117.35 119.85 1m59 s TYR 7 Ca -0.01 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1m59 s TYR 7 Cb -0.14 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1m59 s TYR 7 CO 0.03 0.36 0.52 0.95 -1.11 0.00 0.00 175.55 176.30 1m59 s THR 8 N -1.10 5.12 0.36 -0.71 -4.23 -1.26 -0.25 115.64 113.57 1m59 s THR 8 Ca 0.18 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1m59 s THR 8 Cb -0.11 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.20 1m59 s THR 8 CO 0.10 -0.50 1.91 -0.07 -0.54 0.00 0.00 174.62 175.52 1m59 h LEU 9 N 0.95 0.65 -0.81 4.79 3.38 -1.94 -1.48 115.31 120.85 1m59 h LEU 9 Ca -0.50 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.51 1m59 h LEU 9 Cb 1.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1m59 h LEU 9 CO 0.62 0.37 0.53 -0.08 0.09 0.00 0.00 178.44 179.98 1m59 h GLU 10 N 0.71 1.05 -0.09 1.13 4.81 -1.97 -1.65 114.58 118.58 1m59 h GLU 10 Ca 0.39 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1m59 h GLU 10 Cb 0.53 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1m59 h GLU 10 CO -0.16 0.70 -0.07 0.93 -0.73 0.00 0.00 179.01 179.69 1m59 h GLU 11 N 1.09 0.21 -0.96 1.92 5.08 -1.68 -3.28 114.58 116.95 1m59 h GLU 11 Ca 0.30 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1m59 h GLU 11 Cb -0.11 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1m59 h GLU 11 CO -0.07 0.60 0.59 0.82 -1.00 0.00 0.00 179.01 179.95 1m59 h ILE 12 N -0.18 1.26 -0.13 3.13 2.04 -1.27 -2.62 117.51 119.74 1m59 h ILE 12 Ca 0.02 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1m59 h ILE 12 Cb 0.55 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1m59 h ILE 12 CO 0.02 0.27 0.18 -0.61 0.00 0.00 0.00 178.15 178.01 1m59 h GLN 13 N 1.32 0.00 0.00 2.37 4.15 -1.33 -0.84 115.11 120.78 1m59 h GLN 13 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 1m59 h GLN 13 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1m59 h GLN 13 CO -0.07 0.00 0.00 0.87 -1.93 0.00 0.00 178.83 177.70 1m59 h LYS 14 N 0.00 0.00 -3.23 1.69 1.57 -1.56 -3.38 116.57 111.66 1m59 h LYS 14 Ca 0.06 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.06 1m59 h LYS 14 Cb 0.42 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.52 1m59 h LYS 14 CO -0.00 0.00 1.41 0.72 -0.57 0.00 0.00 179.45 181.01 1m59 n HIS 15 N -2.63 2.64 -2.83 -1.35 8.25 -0.32 -4.60 115.22 114.38 1m59 n HIS 15 Ca 0.04 -2.70 -0.11 0.00 -0.26 0.00 0.00 57.72 54.69 1m59 n HIS 15 Cb 0.43 -1.61 0.05 0.00 1.12 0.00 0.00 29.99 29.97 1m59 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1m59 n ASN 16 N 2.64 -0.26 -1.92 0.41 6.94 -1.12 -1.71 115.26 120.24 1m59 n ASN 16 Ca 0.33 -2.94 -0.06 0.00 -0.02 0.00 0.00 54.58 51.88 1m59 n ASN 16 Cb 0.35 0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 38.05 1m59 n ASN 16 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1m59 n ASN 17 N -0.00 0.48 0.27 0.53 0.23 -0.79 -5.01 115.26 110.96 1m59 n ASN 17 Ca 0.10 -1.62 0.18 0.00 -0.53 0.00 0.00 54.58 52.71 1m59 n ASN 17 Cb 0.76 0.37 0.79 0.00 -2.08 0.00 0.00 39.78 39.62 1m59 n ASN 17 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1m59 h SER 18 N 0.51 0.00 0.47 0.53 4.64 -2.00 -3.10 113.55 114.61 1m59 h SER 18 Ca -0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.99 1m59 h SER 18 Cb 0.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1m59 h SER 18 CO 0.12 0.00 -1.72 1.17 -0.87 0.00 0.00 176.83 175.53 1m59 n LYS 19 N -2.95 0.64 -3.74 4.77 4.81 -1.26 -4.96 118.16 115.48 1m59 n LYS 19 Ca -0.00 0.21 -0.12 0.00 -0.87 0.00 0.00 58.31 57.52 1m59 n LYS 19 Cb 0.23 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.42 1m59 n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m59 s SER 20 N -5.83 -0.40 -0.22 3.14 0.15 -1.17 -5.00 113.70 104.37 1m59 s SER 20 Ca -0.05 0.76 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1m59 s SER 20 Cb 0.08 0.73 0.06 0.00 -1.71 0.00 0.00 66.02 65.19 1m59 s SER 20 CO 0.82 -0.14 0.02 -0.89 1.20 0.00 0.00 173.24 174.25 1m59 s THR 21 N 0.50 0.78 0.24 6.45 2.01 -1.26 -1.89 115.64 122.47 1m59 s THR 21 Ca -0.03 -0.80 0.11 0.00 0.31 0.00 0.00 61.69 61.28 1m59 s THR 21 Cb -0.04 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1m59 s THR 21 CO -0.03 -0.24 -0.14 0.26 -0.69 0.00 0.00 174.62 173.79 1m59 s TRP 22 N 1.73 2.47 0.18 4.92 0.52 -0.69 -0.82 118.94 127.25 1m59 s TRP 22 Ca -0.01 -0.28 -0.23 0.00 0.02 0.00 0.00 56.10 55.60 1m59 s TRP 22 Cb -0.17 -1.14 0.06 0.00 -1.15 0.00 0.00 33.47 31.07 1m59 s TRP 22 CO -0.10 0.60 0.66 -0.48 0.02 0.00 0.00 176.95 177.65 1m59 s LEU 23 N -3.22 -0.47 -0.12 2.99 0.05 -0.85 0.67 118.68 117.72 1m59 s LEU 23 Ca 0.27 -0.15 -0.03 0.00 0.05 0.00 0.00 54.13 54.27 1m59 s LEU 23 Cb -0.07 2.58 -0.03 0.00 -2.05 0.00 0.00 46.19 46.62 1m59 s LEU 23 CO 0.15 -1.03 -0.01 -0.63 -0.55 0.00 0.00 176.35 174.28 1m59 s ILE 24 N -3.74 4.19 -0.12 1.48 1.01 0.07 -0.83 121.20 123.27 1m59 s ILE 24 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1m59 s ILE 24 Cb -0.02 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1m59 s ILE 24 CO -0.08 0.54 0.04 -0.76 0.00 0.00 0.00 174.94 174.68 1m59 s LEU 25 N -0.24 0.62 -1.39 2.97 1.43 -0.34 -1.09 118.68 120.64 1m59 s LEU 25 Ca 0.05 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1m59 s LEU 25 Cb -0.12 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.73 1m59 s LEU 25 CO 0.02 -0.26 0.73 1.41 0.23 0.00 0.00 176.35 178.47 1m59 n HIS 26 N 5.17 -1.96 -0.96 0.29 8.25 -1.26 -1.59 115.22 123.16 1m59 n HIS 26 Ca -0.07 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1m59 n HIS 26 Cb 0.49 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 27.45 1m59 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1m59 n TYR 27 N -4.40 0.00 -4.35 4.41 4.01 -1.26 -4.99 117.16 110.58 1m59 n TYR 27 Ca -0.21 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.21 1m59 n TYR 27 Cb 0.64 -1.25 -0.09 0.00 -0.31 0.00 0.00 39.34 38.32 1m59 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1m59 s LYS 28 N -1.21 2.73 -0.19 -0.72 1.02 -0.62 -0.86 119.74 119.89 1m59 s LYS 28 Ca 0.00 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.25 1m59 s LYS 28 Cb 0.00 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1m59 s LYS 28 CO 0.00 0.63 0.20 0.08 -0.92 0.00 0.00 175.35 175.33 1m59 s VAL 29 N -1.04 5.36 -0.07 3.17 1.01 0.22 -1.19 120.40 127.86 1m59 s VAL 29 Ca 0.18 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1m59 s VAL 29 Cb -0.11 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1m59 s VAL 29 CO 0.09 0.40 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 1m59 s TYR 30 N 0.55 2.66 -0.50 5.22 1.51 -0.01 -0.87 117.35 125.90 1m59 s TYR 30 Ca 0.11 -0.45 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 1m59 s TYR 30 Cb -0.12 -1.68 0.10 0.00 -0.11 0.00 0.00 41.96 40.15 1m59 s TYR 30 CO 0.01 -0.04 0.43 0.34 -1.11 0.00 0.00 175.55 175.19 1m59 s ASP 31 N -0.27 6.10 -0.15 2.29 -1.08 -0.41 -2.01 116.67 121.15 1m59 s ASP 31 Ca 0.01 -1.60 0.17 0.00 -0.52 0.00 0.00 52.55 50.61 1m59 s ASP 31 Cb -0.13 -2.17 0.73 0.00 -1.46 0.00 0.00 42.92 39.89 1m59 s ASP 31 CO 0.03 -0.74 1.64 0.18 0.52 0.00 0.00 175.17 176.80 1m59 n LEU 32 N 5.19 4.94 -0.22 -1.34 4.77 0.00 -4.68 117.00 125.66 1m59 n LEU 32 Ca -0.13 -2.60 0.02 0.00 -0.03 0.00 0.00 56.01 53.27 1m59 n LEU 32 Cb 0.42 -0.60 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1m59 n LEU 32 CO 0.50 0.76 0.82 0.74 -1.33 0.00 0.00 177.39 178.87 1m59 h THR 33 N 3.89 0.45 -0.01 -5.08 2.02 -1.89 -1.54 112.91 110.74 1m59 h THR 33 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1m59 h THR 33 Cb 1.58 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1m59 h THR 33 CO 0.29 0.02 -0.22 0.29 0.37 0.00 0.00 175.52 176.28 1m59 n LYS 34 N -5.31 0.77 0.04 6.66 5.02 -1.26 -3.91 118.16 120.17 1m59 n LYS 34 Ca 0.10 -0.40 0.06 0.00 -2.02 0.00 0.00 58.31 56.05 1m59 n LYS 34 Cb 0.37 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1m59 n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1m59 n PHE 35 N -0.76 0.63 -0.37 2.13 -0.00 -0.63 -4.53 117.46 113.93 1m59 n PHE 35 Ca 0.13 0.20 0.04 0.00 -0.00 0.00 0.00 57.45 57.81 1m59 n PHE 35 Cb 0.33 -0.88 0.11 0.00 -0.00 0.00 0.00 39.48 39.04 1m59 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1m59 h LEU 36 N 0.00 -1.08 -0.10 -2.13 3.38 -1.54 0.14 115.31 113.98 1m59 h LEU 36 Ca -0.10 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1m59 h LEU 36 Cb 1.28 0.66 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1m59 h LEU 36 CO 0.02 -0.32 0.00 -0.62 0.09 0.00 0.00 178.44 177.61 1m59 n GLU 37 N -5.58 0.13 0.04 1.13 1.02 -1.26 -3.42 120.64 112.69 1m59 n GLU 37 Ca 0.14 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1m59 n GLU 37 Cb 0.47 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.13 1m59 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m59 n GLU 38 N -1.90 0.58 -1.65 3.49 -0.58 0.43 -4.92 120.64 116.09 1m59 n GLU 38 Ca 0.05 -0.06 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 1m59 n GLU 38 Cb 0.34 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1m59 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1m59 n HIS 39 N -2.36 2.36 0.30 -0.32 -0.00 -0.74 -4.85 115.22 109.61 1m59 n HIS 39 Ca -0.02 -0.25 0.18 0.00 0.46 0.00 0.00 57.72 58.09 1m59 n HIS 39 Cb 0.54 -2.76 0.88 0.00 -0.12 0.00 0.00 29.99 28.53 1m59 n HIS 39 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1m59 h VAL 40 N 5.91 0.12 -0.05 3.57 2.07 -1.92 -1.22 116.25 124.74 1m59 h VAL 40 Ca -0.48 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1m59 h VAL 40 Cb 1.25 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1m59 h VAL 40 CO 0.95 0.03 0.00 0.61 0.02 0.00 0.00 177.57 179.17 1m59 n GLY 41 N -0.49 -0.55 0.00 2.17 0.00 -1.26 -5.02 105.19 100.04 1m59 n GLY 41 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1m59 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m59 n GLY 42 N 0.92 0.64 0.08 -0.02 0.00 -0.46 -4.69 105.19 101.66 1m59 n GLY 42 Ca 0.15 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1m59 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1m59 n GLU 43 N 0.74 0.64 -0.27 1.61 0.28 -1.25 -4.31 120.64 118.08 1m59 n GLU 43 Ca 0.00 0.05 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 1m59 n GLU 43 Cb 0.00 -1.68 0.08 0.00 1.43 0.00 0.00 31.44 31.26 1m59 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1m59 h GLU 44 N 0.00 0.94 0.00 3.44 4.81 -1.91 -0.81 114.58 121.05 1m59 h GLU 44 Ca -0.15 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1m59 h GLU 44 Cb 1.43 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1m59 h GLU 44 CO 0.02 0.62 -0.21 -0.24 -0.73 0.00 0.00 179.01 178.47 1m59 h VAL 45 N 0.97 0.77 0.14 0.32 3.04 -1.84 -2.48 116.25 117.17 1m59 h VAL 45 Ca 0.29 -0.87 -0.23 0.00 -1.01 0.00 0.00 66.70 64.88 1m59 h VAL 45 Cb -0.04 1.53 0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1m59 h VAL 45 CO -0.09 0.21 -1.07 -0.07 -1.01 0.00 0.00 177.57 175.54 1m59 h LEU 46 N 0.00 0.48 -1.31 3.16 3.38 -1.57 -3.31 115.31 116.13 1m59 h LEU 46 Ca -0.00 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.08 1m59 h LEU 46 Cb 0.52 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1m59 h LEU 46 CO 0.03 1.50 0.48 0.03 0.09 0.00 0.00 178.44 180.57 1m59 h ARG 47 N -0.30 0.89 0.00 1.13 3.08 -1.05 -1.68 114.38 116.44 1m59 h ARG 47 Ca -0.20 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1m59 h ARG 47 Cb 1.73 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 1m59 h ARG 47 CO 0.13 0.59 -0.15 0.93 -1.07 0.00 0.00 179.97 180.40 1m59 h GLU 48 N 0.91 0.00 -0.01 0.04 5.08 -1.56 -2.63 114.58 116.41 1m59 h GLU 48 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1m59 h GLU 48 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1m59 h GLU 48 CO -0.08 0.15 -0.63 1.04 -1.00 0.00 0.00 179.01 178.49 1m59 n GLN 49 N -3.78 0.67 -1.56 2.33 1.13 -0.70 -5.00 117.38 110.47 1m59 n GLN 49 Ca -0.02 -0.53 -0.49 0.00 -1.94 0.00 0.00 57.00 54.02 1m59 n GLN 49 Cb 0.25 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1m59 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1m59 n ALA 50 N -0.70 -1.00 -0.90 -1.58 0.00 -0.82 -2.24 120.51 113.27 1m59 n ALA 50 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1m59 n ALA 50 Cb 0.40 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1m59 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m59 n GLY 51 N 1.91 0.93 0.00 0.00 0.00 0.21 -4.83 105.19 103.41 1m59 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1m59 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m59 n GLY 52 N -2.04 4.43 3.61 -0.02 0.00 -0.95 -3.47 105.19 106.75 1m59 n GLY 52 Ca 0.00 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 1m59 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1m59 s ASP 53 N -0.40 6.54 -0.19 1.61 3.68 -1.26 -0.75 116.67 125.90 1m59 s ASP 53 Ca 0.00 0.54 0.15 0.00 2.13 0.00 0.00 52.55 55.37 1m59 s ASP 53 Cb 0.00 -2.34 0.45 0.00 -1.45 0.00 0.00 42.92 39.57 1m59 s ASP 53 CO 0.00 -0.47 1.34 0.00 0.13 0.00 0.00 175.17 176.17 1m59 n ALA 54 N 5.89 3.13 -0.03 3.66 0.00 -0.25 -4.79 120.51 128.11 1m59 n ALA 54 Ca -0.00 -2.66 -0.09 0.00 0.00 0.00 0.00 53.44 50.69 1m59 n ALA 54 Cb 0.49 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1m59 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1m59 h THR 55 N 1.05 0.92 -0.39 0.00 2.02 -1.92 -0.95 112.91 113.65 1m59 h THR 55 Ca 0.05 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1m59 h THR 55 Cb 1.33 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1m59 h THR 55 CO 0.18 0.02 0.21 -0.33 0.37 0.00 0.00 175.52 175.97 1m59 h GLU 56 N 0.11 0.55 -0.59 6.66 5.08 -1.94 -1.09 114.58 123.35 1m59 h GLU 56 Ca 0.08 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1m59 h GLU 56 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1m59 h GLU 56 CO -0.11 0.45 0.19 -0.91 -1.00 0.00 0.00 179.01 177.63 1m59 h ASN 57 N 0.50 0.82 -0.40 1.42 4.21 -1.89 0.21 115.58 120.44 1m59 h ASN 57 Ca 0.14 -0.13 -0.04 0.00 1.21 0.00 0.00 56.30 57.48 1m59 h ASN 57 Cb 0.07 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 1m59 h ASN 57 CO -0.02 0.77 0.09 0.15 -1.29 0.00 0.00 177.43 177.14 1m59 h PHE 58 N 0.86 0.67 -0.01 1.19 3.57 -0.85 -3.04 116.94 119.34 1m59 h PHE 58 Ca 0.20 -0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 1m59 h PHE 58 Cb 0.24 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1m59 h PHE 58 CO 0.02 0.65 -0.80 0.93 -2.23 0.00 0.00 178.31 176.88 1m59 h GLU 59 N 0.51 0.15 -0.57 1.11 4.39 -0.90 -3.25 114.58 116.01 1m59 h GLU 59 Ca 0.13 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1m59 h GLU 59 Cb 0.32 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1m59 h GLU 59 CO 0.00 0.87 0.38 0.22 -1.16 0.00 0.00 179.01 179.32 1m59 h ASP 60 N 0.09 0.65 0.61 1.42 3.58 -0.49 -1.16 116.42 121.13 1m59 h ASP 60 Ca -0.03 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m59 h ASP 60 Cb 1.39 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1m59 h ASP 60 CO 0.12 0.47 -0.15 1.33 -2.88 0.00 0.00 179.24 178.13 1m59 n VAL 61 N -4.45 0.00 -3.28 2.25 0.24 -1.16 -4.99 118.33 106.94 1m59 n VAL 61 Ca 0.06 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.18 1m59 n VAL 61 Cb 0.05 -0.18 0.06 0.00 -1.47 0.00 0.00 33.84 32.30 1m59 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1m59 n GLY 62 N 1.40 -1.16 3.75 7.63 0.00 -0.44 -4.94 105.19 111.42 1m59 n GLY 62 Ca 0.10 0.56 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 1m59 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m59 n HIS 63 N -3.15 2.82 -0.75 1.61 8.25 -1.26 -4.98 115.22 117.77 1m59 n HIS 63 Ca -0.07 0.40 -0.29 0.00 -0.26 0.00 0.00 57.72 57.51 1m59 n HIS 63 Cb 0.60 -2.53 0.22 0.00 1.12 0.00 0.00 29.99 29.40 1m59 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1m59 s SER 64 N 0.07 1.72 0.24 0.41 1.04 -1.26 -4.80 113.70 111.12 1m59 s SER 64 Ca 0.58 1.52 -0.05 0.00 0.48 0.00 0.00 55.95 58.47 1m59 s SER 64 Cb -0.50 -2.23 0.25 0.00 0.10 0.00 0.00 66.02 63.64 1m59 s SER 64 CO 0.58 -3.74 1.80 0.74 0.98 0.00 0.00 173.24 173.60 1m59 h THR 65 N -2.31 1.25 -0.72 2.02 2.02 -2.00 -2.38 112.91 110.79 1m59 h THR 65 Ca -0.57 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1m59 h THR 65 Cb 1.32 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1m59 h THR 65 CO 0.51 0.33 0.39 0.44 0.37 0.00 0.00 175.52 177.56 1m59 h ASP 66 N 1.04 0.91 -0.59 4.18 3.32 -1.99 -1.10 116.42 122.19 1m59 h ASP 66 Ca 0.23 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1m59 h ASP 66 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1m59 h ASP 66 CO -0.01 0.75 0.15 0.00 -1.72 0.00 0.00 179.24 178.41 1m59 h ALA 67 N 1.20 0.78 -0.64 3.45 0.00 -1.85 -1.84 119.26 120.35 1m59 h ALA 67 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1m59 h ALA 67 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1m59 h ALA 67 CO -0.04 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.80 1m59 h ARG 68 N 0.85 1.04 -0.62 0.00 3.08 -1.13 -0.57 114.38 117.04 1m59 h ARG 68 Ca 0.19 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1m59 h ARG 68 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1m59 h ARG 68 CO 0.00 0.95 0.06 0.93 -1.07 0.00 0.00 179.97 180.84 1m59 h GLU 69 N 0.98 1.04 -0.46 0.04 4.39 -1.02 -2.93 114.58 116.62 1m59 h GLU 69 Ca 0.20 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1m59 h GLU 69 Cb 0.41 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1m59 h GLU 69 CO 0.01 0.98 -0.23 1.25 -1.16 0.00 0.00 179.01 179.86 1m59 h LEU 70 N 0.97 0.98 -2.00 1.33 5.85 -1.01 -3.08 115.31 118.36 1m59 h LEU 70 Ca 0.19 -0.38 0.20 0.00 0.84 0.00 0.00 57.88 58.72 1m59 h LEU 70 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1m59 h LEU 70 CO 0.02 1.16 0.49 0.77 -0.34 0.00 0.00 178.44 180.54 1m59 h SER 71 N 0.82 0.00 0.00 1.25 4.64 -0.91 -1.57 113.55 117.79 1m59 h SER 71 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1m59 h SER 71 Cb 0.80 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1m59 h SER 71 CO 0.07 0.00 -0.00 0.11 -0.87 0.00 0.00 176.83 176.14 1m59 h LYS 72 N 0.00 0.00 0.00 4.77 1.57 -1.55 -1.78 116.57 119.58 1m59 h LYS 72 Ca 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1m59 h LYS 72 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1m59 h LYS 72 CO -0.00 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.66 1m59 h THR 73 N 0.00 0.02 -0.02 -0.16 1.35 -1.48 -2.92 112.91 109.70 1m59 h THR 73 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1m59 h THR 73 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1m59 h THR 73 CO 0.00 0.01 -0.01 0.49 -0.25 0.00 0.00 175.52 175.75 1m59 n PHE 74 N -3.10 0.00 -2.23 4.73 3.72 -0.67 -4.94 117.46 114.96 1m59 n PHE 74 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1m59 n PHE 74 Cb 0.26 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1m59 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1m59 s ILE 75 N -2.02 3.52 -0.25 4.37 1.01 -1.10 -1.29 121.20 125.44 1m59 s ILE 75 Ca 0.32 1.07 0.02 0.00 0.00 0.00 0.00 60.65 62.06 1m59 s ILE 75 Cb 0.20 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 39.01 1m59 s ILE 75 CO 0.32 0.07 0.62 2.30 0.00 0.00 0.00 174.94 178.25 1m59 n ILE 76 N 4.04 0.11 -3.94 2.92 -5.35 -0.05 -4.94 119.36 112.15 1m59 n ILE 76 Ca 0.11 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1m59 n ILE 76 Cb 0.43 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1m59 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m59 n GLY 77 N 0.07 -0.88 3.30 3.28 0.00 -1.23 -4.75 105.19 104.98 1m59 n GLY 77 Ca 0.01 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1m59 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m59 s GLU 78 N -1.88 1.27 0.12 1.61 2.02 -0.28 -0.61 118.70 120.95 1m59 s GLU 78 Ca 0.00 -1.63 -0.30 0.00 0.02 0.00 0.00 54.97 53.06 1m59 s GLU 78 Cb 0.00 -0.54 -0.06 0.00 0.10 0.00 0.00 34.13 33.63 1m59 s GLU 78 CO 0.00 -0.09 1.04 -1.17 0.02 0.00 0.00 175.26 175.06 1m59 s LEU 79 N -3.27 4.47 0.20 1.80 2.96 -0.04 -0.77 118.68 124.03 1m59 s LEU 79 Ca 0.27 1.91 -0.33 0.00 -0.22 0.00 0.00 54.13 55.76 1m59 s LEU 79 Cb 0.05 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 43.02 1m59 s LEU 79 CO 0.07 -0.18 1.48 1.57 -1.32 0.00 0.00 176.35 177.97 1m59 n HIS 80 N 2.86 2.18 -0.33 5.38 -0.00 0.65 -4.78 115.22 121.18 1m59 n HIS 80 Ca 0.03 0.37 0.18 0.00 -0.00 0.00 0.00 57.72 58.31 1m59 n HIS 80 Cb 0.48 -2.49 0.43 0.00 -0.00 0.00 0.00 29.99 28.41 1m59 n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1m59 h PRO 81 N 4.99 0.53 0.00 1.57 0.11 -1.93 -0.23 132.00 137.04 1m59 h PRO 81 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1m59 h PRO 81 Cb 1.27 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1m59 h PRO 81 CO 0.82 0.35 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.49 1m59 h ASP 82 N 0.55 0.00 -0.10 -2.05 3.32 -1.98 -2.04 116.42 114.11 1m59 h ASP 82 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1m59 h ASP 82 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1m59 h ASP 82 CO -0.34 0.03 0.00 0.47 -1.72 0.00 0.00 179.24 177.68 1m59 n ASP 83 N -3.26 2.78 -0.59 6.45 8.00 -0.10 -5.15 116.55 124.67 1m59 n ASP 83 Ca -0.02 -1.90 0.14 0.00 0.71 0.00 0.00 54.79 53.71 1m59 n ASP 83 Cb 0.17 -0.05 0.43 0.00 -0.02 0.00 0.00 41.12 41.64 1m59 n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35