#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u9m s VAL 4 N 0.00 0.05 -0.19 0.00 1.01 -1.26 -5.14 120.40 114.87 1u9m s VAL 4 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1u9m s VAL 4 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1u9m s VAL 4 CO 0.00 -0.24 0.05 -0.75 0.00 0.00 0.00 175.10 174.16 1u9m s LYS 5 N -0.89 3.86 -0.08 2.72 2.20 -1.26 -5.03 119.74 121.27 1u9m s LYS 5 Ca -0.10 -0.40 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1u9m s LYS 5 Cb -0.05 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1u9m s LYS 5 CO 0.01 0.16 -0.05 0.71 -0.36 0.00 0.00 175.35 175.83 1u9m s TYR 6 N 0.66 3.01 0.02 4.03 2.02 -1.26 -1.13 117.35 124.69 1u9m s TYR 6 Ca 0.03 0.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.86 1u9m s TYR 6 Cb -0.13 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1u9m s TYR 6 CO 0.02 0.35 -0.26 0.71 -1.57 0.00 0.00 175.55 174.79 1u9m s TYR 7 N -0.75 2.30 0.45 2.71 1.51 -0.33 -4.82 117.35 118.41 1u9m s TYR 7 Ca 0.11 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1u9m s TYR 7 Cb -0.11 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1u9m s TYR 7 CO 0.02 0.05 0.79 0.95 -1.11 0.00 0.00 175.55 176.25 1u9m s THR 8 N -0.72 4.83 0.25 -0.71 -4.23 -1.26 -0.83 115.64 112.98 1u9m s THR 8 Ca 0.11 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1u9m s THR 8 Cb -0.10 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.17 1u9m s THR 8 CO 0.01 -0.68 1.81 0.25 -0.54 0.00 0.00 174.62 175.46 1u9m h LEU 9 N 0.77 0.70 -0.54 4.79 7.12 -1.94 -1.96 115.31 124.24 1u9m h LEU 9 Ca -0.47 0.05 0.07 0.00 0.13 0.00 0.00 57.88 57.66 1u9m h LEU 9 Cb 1.19 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 41.18 1u9m h LEU 9 CO 0.63 0.39 0.21 -0.08 -0.13 0.00 0.00 178.44 179.46 1u9m h GLU 10 N 0.81 0.40 -0.43 1.25 4.81 -1.97 -1.99 114.58 117.45 1u9m h GLU 10 Ca 0.41 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.49 1u9m h GLU 10 Cb 0.40 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1u9m h GLU 10 CO -0.26 0.26 -0.24 0.93 -0.73 0.00 0.00 179.01 178.97 1u9m h GLU 11 N 0.41 0.89 -0.84 1.92 5.08 -1.76 -3.14 114.58 117.14 1u9m h GLU 11 Ca 0.26 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1u9m h GLU 11 Cb 0.27 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1u9m h GLU 11 CO -0.25 1.03 0.42 0.82 -1.00 0.00 0.00 179.01 180.03 1u9m h ILE 12 N 0.76 1.25 0.00 3.13 2.04 -1.02 -2.76 117.51 120.92 1u9m h ILE 12 Ca 0.10 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1u9m h ILE 12 Cb 0.79 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1u9m h ILE 12 CO 0.07 0.30 0.08 1.56 0.00 0.00 0.00 178.15 180.15 1u9m h GLN 13 N 1.18 0.00 0.00 2.37 4.20 -1.32 -1.15 115.11 120.38 1u9m h GLN 13 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1u9m h GLN 13 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1u9m h GLN 13 CO -0.04 0.00 -0.58 1.63 -0.67 0.00 0.00 178.83 179.17 1u9m n LYS 14 N -2.34 0.28 -2.69 1.46 5.02 -1.04 -4.22 118.16 114.63 1u9m n LYS 14 Ca -0.02 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 1u9m n LYS 14 Cb 0.12 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.45 1u9m n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1u9m n HIS 15 N -2.10 2.52 -1.47 2.13 8.25 -0.44 -4.65 115.22 119.46 1u9m n HIS 15 Ca 0.03 -2.66 0.07 0.00 -0.26 0.00 0.00 57.72 54.91 1u9m n HIS 15 Cb 0.44 -1.55 0.17 0.00 1.12 0.00 0.00 29.99 30.17 1u9m n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1u9m n ASN 16 N 2.32 1.85 -3.70 0.41 2.04 -1.07 -1.40 115.26 115.71 1u9m n ASN 16 Ca 0.33 -3.48 -0.23 0.00 -0.44 0.00 0.00 54.58 50.77 1u9m n ASN 16 Cb 0.34 -0.47 -0.08 0.00 -2.53 0.00 0.00 39.78 37.03 1u9m n ASN 16 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1u9m s ASN 17 N -2.99 2.24 0.60 0.53 2.20 -0.80 -4.87 114.94 111.85 1u9m s ASN 17 Ca 0.35 -1.74 0.39 0.00 -0.94 0.00 0.00 52.86 50.92 1u9m s ASN 17 Cb 0.33 0.56 1.90 0.00 -2.00 0.00 0.00 41.25 42.04 1u9m s ASN 17 CO -0.04 -1.02 2.17 0.77 -2.94 0.00 0.00 177.10 176.05 1u9m h SER 18 N 1.95 0.00 0.44 3.54 4.64 -1.98 -1.72 113.55 120.42 1u9m h SER 18 Ca -0.30 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.81 1u9m h SER 18 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1u9m h SER 18 CO 0.45 0.00 -0.93 0.11 -0.87 0.00 0.00 176.83 175.59 1u9m h LYS 19 N 0.00 0.33 -1.82 4.77 1.57 -1.96 -3.44 116.57 116.02 1u9m h LYS 19 Ca 0.00 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1u9m h LYS 19 Cb 0.25 0.11 -0.25 0.00 0.08 0.00 0.00 32.23 32.42 1u9m h LYS 19 CO 0.00 1.06 -0.32 0.45 -0.57 0.00 0.00 179.45 180.07 1u9m s SER 20 N -7.03 -0.64 -0.23 0.86 0.15 -0.66 -5.01 113.70 101.14 1u9m s SER 20 Ca -0.05 0.89 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1u9m s SER 20 Cb 0.09 1.73 0.05 0.00 -1.71 0.00 0.00 66.02 66.18 1u9m s SER 20 CO 0.85 -0.25 -0.14 -0.89 1.20 0.00 0.00 173.24 174.01 1u9m s THR 21 N 2.73 2.13 0.18 6.45 2.01 -1.13 -1.91 115.64 126.10 1u9m s THR 21 Ca 0.07 -1.40 0.10 0.00 0.31 0.00 0.00 61.69 60.78 1u9m s THR 21 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1u9m s THR 21 CO -0.17 0.16 -0.22 0.26 -0.69 0.00 0.00 174.62 173.96 1u9m s TRP 22 N 1.17 2.13 0.20 4.92 0.52 -0.49 -0.64 118.94 126.75 1u9m s TRP 22 Ca -0.04 -0.39 -0.22 0.00 0.02 0.00 0.00 56.10 55.46 1u9m s TRP 22 Cb -0.18 -1.06 0.05 0.00 -1.15 0.00 0.00 33.47 31.13 1u9m s TRP 22 CO -0.08 0.44 0.63 -0.48 0.02 0.00 0.00 176.95 177.48 1u9m s LEU 23 N -2.64 -0.43 -0.10 2.99 0.05 -0.74 0.33 118.68 118.14 1u9m s LEU 23 Ca 0.19 -0.22 -0.02 0.00 0.05 0.00 0.00 54.13 54.13 1u9m s LEU 23 Cb -0.07 2.62 -0.03 0.00 -2.05 0.00 0.00 46.19 46.65 1u9m s LEU 23 CO 0.09 -1.10 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.13 1u9m s ILE 24 N -3.81 4.02 -0.17 1.48 1.01 -0.10 -1.01 121.20 122.62 1u9m s ILE 24 Ca 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1u9m s ILE 24 Cb -0.03 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.80 1u9m s ILE 24 CO -0.06 0.57 -0.02 -0.76 0.00 0.00 0.00 174.94 174.68 1u9m s LEU 25 N -0.52 1.48 0.00 2.97 1.43 -0.75 -1.10 118.68 122.20 1u9m s LEU 25 Ca 0.08 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1u9m s LEU 25 Cb -0.12 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1u9m s LEU 25 CO 0.02 -0.23 0.00 1.41 0.23 0.00 0.00 176.35 177.78 1u9m n HIS 26 N 4.94 0.00 -0.44 0.29 8.25 -1.26 -1.37 115.22 125.63 1u9m n HIS 26 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.41 1u9m n HIS 26 Cb 0.47 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.73 1u9m n HIS 26 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1u9m n TYR 27 N 9.25 0.46 -4.10 4.41 4.11 -1.26 -4.97 117.16 125.06 1u9m n TYR 27 Ca 0.00 -0.64 -0.30 0.00 -0.00 0.00 0.00 57.90 56.96 1u9m n TYR 27 Cb 0.00 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.15 1u9m n TYR 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1u9m s LYS 28 N -1.65 2.68 -0.13 -3.48 1.02 -0.47 -0.69 119.74 117.02 1u9m s LYS 28 Ca 0.25 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 1u9m s LYS 28 Cb 0.17 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1u9m s LYS 28 CO 0.10 0.54 0.01 0.08 -0.92 0.00 0.00 175.35 175.16 1u9m s VAL 29 N -1.38 4.36 -0.06 3.17 1.01 0.48 -1.80 120.40 126.18 1u9m s VAL 29 Ca 0.27 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1u9m s VAL 29 Cb -0.12 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1u9m s VAL 29 CO 0.20 0.53 -0.23 -0.31 0.00 0.00 0.00 175.10 175.29 1u9m s TYR 30 N -0.17 2.30 -0.40 5.22 1.51 -0.18 -1.36 117.35 124.27 1u9m s TYR 30 Ca 0.05 -0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 55.27 1u9m s TYR 30 Cb -0.12 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1u9m s TYR 30 CO 0.02 -0.23 0.27 0.34 -1.11 0.00 0.00 175.55 174.84 1u9m s ASP 31 N -0.06 5.93 -0.03 2.29 -1.08 -0.40 -1.79 116.67 121.53 1u9m s ASP 31 Ca -0.05 -1.02 0.17 0.00 -0.52 0.00 0.00 52.55 51.12 1u9m s ASP 31 Cb -0.14 -2.10 0.51 0.00 -1.46 0.00 0.00 42.92 39.74 1u9m s ASP 31 CO 0.04 -0.45 1.43 0.18 0.52 0.00 0.00 175.17 176.89 1u9m n LEU 32 N 5.08 3.66 -0.27 -1.34 4.77 0.19 -4.71 117.00 124.37 1u9m n LEU 32 Ca -0.11 -2.12 0.04 0.00 -0.03 0.00 0.00 56.01 53.78 1u9m n LEU 32 Cb 0.46 -0.40 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1u9m n LEU 32 CO 0.40 0.84 0.74 0.74 -1.33 0.00 0.00 177.39 178.78 1u9m h THR 33 N 3.20 0.23 -0.30 -5.08 2.02 -1.91 0.28 112.91 111.35 1u9m h THR 33 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1u9m h THR 33 Cb 0.98 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1u9m h THR 33 CO 0.05 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.23 1u9m n LYS 34 N -5.47 1.92 -0.00 6.66 5.02 -1.26 -3.67 118.16 121.35 1u9m n LYS 34 Ca 0.13 -1.17 0.04 0.00 -2.02 0.00 0.00 58.31 55.28 1u9m n LYS 34 Cb 0.44 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 1u9m n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1u9m n PHE 35 N 0.39 0.00 -0.28 2.13 -0.00 0.93 -4.71 117.46 115.91 1u9m n PHE 35 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.61 1u9m n PHE 35 Cb 0.34 -0.12 0.14 0.00 -0.00 0.00 0.00 39.48 39.84 1u9m n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1u9m h LEU 36 N 0.00 -0.59 0.00 -2.13 3.38 -1.47 0.73 115.31 115.23 1u9m h LEU 36 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1u9m h LEU 36 Cb 0.30 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u9m h LEU 36 CO 0.00 -0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.66 1u9m n GLU 37 N -5.47 0.04 -0.01 1.13 1.02 -1.26 -3.67 120.64 112.43 1u9m n GLU 37 Ca 0.14 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1u9m n GLU 37 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 1u9m n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u9m n GLU 38 N -1.48 0.60 -1.55 3.49 1.02 0.08 -4.96 120.64 117.85 1u9m n GLU 38 Ca 0.08 -0.13 -0.49 0.00 -0.02 0.00 0.00 57.16 56.59 1u9m n GLU 38 Cb 0.32 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 1u9m n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1u9m n HIS 39 N -2.00 1.88 0.07 -0.32 -0.00 -0.22 -4.81 115.22 109.81 1u9m n HIS 39 Ca -0.02 0.12 0.21 0.00 0.46 0.00 0.00 57.72 58.48 1u9m n HIS 39 Cb 0.41 -2.61 0.74 0.00 -0.12 0.00 0.00 29.99 28.41 1u9m n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1u9m h PRO 40 N 12.09 0.00 -0.00 1.57 0.11 -1.92 0.13 132.00 143.97 1u9m h PRO 40 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1u9m h PRO 40 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1u9m h PRO 40 CO 0.99 0.00 -0.01 0.41 -0.21 0.00 0.00 178.00 179.18 1u9m n GLY 41 N -1.52 -0.97 0.00 -0.55 0.00 -1.26 -5.02 105.19 95.88 1u9m n GLY 41 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1u9m n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9m n GLY 42 N 1.08 1.42 0.13 -0.02 0.00 0.45 -4.68 105.19 103.56 1u9m n GLY 42 Ca 0.21 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 1u9m n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u9m h GLU 43 N 0.00 0.37 -0.90 1.61 4.81 -1.82 -3.37 114.58 115.29 1u9m h GLU 43 Ca 0.00 -0.64 0.18 0.00 -0.13 0.00 0.00 59.36 58.78 1u9m h GLU 43 Cb 0.00 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 29.51 1u9m h GLU 43 CO 0.00 1.31 0.45 0.93 -0.73 0.00 0.00 179.01 180.97 1u9m h GLU 44 N -0.21 0.54 -0.32 1.92 4.39 -1.91 -0.77 114.58 118.22 1u9m h GLU 44 Ca -0.19 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 1u9m h GLU 44 Cb 1.81 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 1u9m h GLU 44 CO 0.19 0.36 -0.17 -0.24 -1.16 0.00 0.00 179.01 177.99 1u9m h VAL 45 N 0.56 1.25 -0.13 3.13 3.04 -1.84 -2.65 116.25 119.62 1u9m h VAL 45 Ca 0.52 -1.15 -0.14 0.00 -1.01 0.00 0.00 66.70 64.92 1u9m h VAL 45 Cb 0.87 1.19 0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1u9m h VAL 45 CO -0.43 0.38 -0.47 -0.07 -1.01 0.00 0.00 177.57 175.96 1u9m h LEU 46 N 0.52 0.64 -1.15 3.16 3.38 -1.35 -3.24 115.31 117.27 1u9m h LEU 46 Ca 0.09 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.47 1u9m h LEU 46 Cb 0.58 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1u9m h LEU 46 CO 0.04 1.15 0.58 0.03 0.09 0.00 0.00 178.44 180.33 1u9m h ARG 47 N 0.17 1.08 0.00 1.13 3.08 -1.16 0.00 114.38 118.68 1u9m h ARG 47 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1u9m h ARG 47 Cb 1.11 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1u9m h ARG 47 CO 0.10 0.72 -0.08 0.93 -1.07 0.00 0.00 179.97 180.57 1u9m h GLU 48 N 1.11 0.00 0.00 0.04 5.08 -1.52 -2.46 114.58 116.84 1u9m h GLU 48 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1u9m h GLU 48 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1u9m h GLU 48 CO -0.10 0.08 -1.04 1.04 -1.00 0.00 0.00 179.01 177.99 1u9m n GLN 49 N -3.33 0.03 -1.63 2.33 1.13 -0.51 -4.99 117.38 110.42 1u9m n GLN 49 Ca -0.01 -0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.60 1u9m n GLN 49 Cb 0.26 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 1u9m n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u9m n ALA 50 N -1.54 0.32 -0.99 -1.58 0.00 -0.13 -2.40 120.51 114.18 1u9m n ALA 50 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1u9m n ALA 50 Cb 0.34 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1u9m n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u9m n GLY 51 N 1.06 0.49 0.98 0.00 0.00 0.15 -4.78 105.19 103.09 1u9m n GLY 51 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1u9m n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u9m n GLY 52 N -2.52 3.28 3.56 -0.02 0.00 -1.01 -3.52 105.19 104.95 1u9m n GLY 52 Ca 0.00 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 1u9m n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u9m s ASP 53 N -1.67 6.45 -0.21 1.61 3.68 -1.26 -0.92 116.67 124.35 1u9m s ASP 53 Ca 0.10 0.05 0.16 0.00 2.13 0.00 0.00 52.55 54.99 1u9m s ASP 53 Cb 0.00 -2.38 0.65 0.00 -1.45 0.00 0.00 42.92 39.75 1u9m s ASP 53 CO 0.07 -0.83 1.56 0.00 0.13 0.00 0.00 175.17 176.11 1u9m n ALA 54 N 6.55 3.39 0.04 3.66 0.00 -0.26 -4.76 120.51 129.14 1u9m n ALA 54 Ca 0.02 -2.16 -0.11 0.00 0.00 0.00 0.00 53.44 51.18 1u9m n ALA 54 Cb 0.48 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1u9m n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u9m h THR 55 N 2.71 0.33 -0.09 0.00 2.02 -1.90 -0.20 112.91 115.77 1u9m h THR 55 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1u9m h THR 55 Cb 1.68 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1u9m h THR 55 CO 0.34 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.82 1u9m h GLU 56 N -0.43 -0.09 -0.81 6.66 4.39 -1.94 -0.78 114.58 121.59 1u9m h GLU 56 Ca 0.07 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1u9m h GLU 56 Cb 0.53 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1u9m h GLU 56 CO -0.28 -0.06 0.34 -0.91 -1.16 0.00 0.00 179.01 176.94 1u9m h ASN 57 N -0.09 1.10 -0.49 1.42 4.21 -1.89 0.12 115.58 119.96 1u9m h ASN 57 Ca 0.06 -0.17 -0.08 0.00 1.21 0.00 0.00 56.30 57.33 1u9m h ASN 57 Cb 0.18 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1u9m h ASN 57 CO -0.15 0.97 0.03 -0.25 -1.29 0.00 0.00 177.43 176.74 1u9m h TRP 58 N 1.17 0.96 0.00 1.19 2.91 -0.79 -2.85 115.95 118.55 1u9m h TRP 58 Ca 0.27 -0.14 -0.05 0.00 1.13 0.00 0.00 58.89 60.11 1u9m h TRP 58 Cb 0.20 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1u9m h TRP 58 CO 0.02 0.85 -0.41 0.93 -1.03 0.00 0.00 178.44 178.80 1u9m h GLU 59 N 0.84 0.00 -0.23 2.65 5.08 -0.71 -3.36 114.58 118.84 1u9m h GLU 59 Ca 0.16 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1u9m h GLU 59 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1u9m h GLU 59 CO 0.02 0.20 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.45 1u9m h ASP 60 N 0.00 0.70 0.58 1.42 3.32 -0.54 -3.33 116.42 118.57 1u9m h ASP 60 Ca -0.01 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1u9m h ASP 60 Cb 1.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1u9m h ASP 60 CO 0.03 1.07 0.00 -0.37 -1.72 0.00 0.00 179.24 178.25 1u9m h VAL 61 N 0.35 0.00 -2.48 -1.35 -1.51 -1.68 -3.47 116.25 106.11 1u9m h VAL 61 Ca 0.02 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1u9m h VAL 61 Cb 0.92 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1u9m h VAL 61 CO 0.08 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 1u9m n GLY 62 N -0.30 0.74 3.77 5.19 0.00 -1.25 -5.03 105.19 108.31 1u9m n GLY 62 Ca 0.01 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1u9m n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u9m s HIS 63 N -2.92 3.14 0.89 1.61 3.76 -1.26 -5.03 115.29 115.49 1u9m s HIS 63 Ca 0.00 1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 56.35 1u9m s HIS 63 Cb 0.00 -3.41 0.13 0.00 1.11 0.00 0.00 32.58 30.41 1u9m s HIS 63 CO 0.00 -1.26 1.14 -1.54 -0.85 0.00 0.00 174.74 172.23 1u9m s SER 64 N -1.03 3.68 0.42 1.40 1.04 -1.26 -4.86 113.70 113.09 1u9m s SER 64 Ca 0.54 0.96 0.08 0.00 0.48 0.00 0.00 55.95 58.02 1u9m s SER 64 Cb -0.32 -1.53 0.89 0.00 0.10 0.00 0.00 66.02 65.16 1u9m s SER 64 CO 0.40 -2.44 2.04 0.74 0.98 0.00 0.00 173.24 174.96 1u9m h THR 65 N -1.42 1.11 -0.44 2.02 2.02 -2.00 -1.69 112.91 112.51 1u9m h THR 65 Ca -0.50 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 1u9m h THR 65 Cb 1.33 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1u9m h THR 65 CO 0.62 0.12 -0.20 0.44 0.37 0.00 0.00 175.52 176.88 1u9m h ASP 66 N 0.43 0.88 -0.65 4.18 3.45 -1.99 -1.71 116.42 121.00 1u9m h ASP 66 Ca 0.11 -0.31 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 1u9m h ASP 66 Cb 0.04 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1u9m h ASP 66 CO -0.02 1.06 0.12 0.00 -1.57 0.00 0.00 179.24 178.83 1u9m h ALA 67 N 1.01 0.86 -0.58 3.45 0.00 -1.69 -1.26 119.26 121.06 1u9m h ALA 67 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1u9m h ALA 67 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1u9m h ALA 67 CO 0.06 0.61 0.21 0.00 0.00 0.00 0.00 179.25 180.13 1u9m h ARG 68 N 0.98 0.88 -0.37 0.00 3.08 -1.08 -1.04 114.38 116.84 1u9m h ARG 68 Ca 0.20 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1u9m h ARG 68 Cb 0.42 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1u9m h ARG 68 CO 0.01 0.77 0.16 0.93 -1.07 0.00 0.00 179.97 180.77 1u9m h GLU 69 N 0.80 0.54 -0.06 0.04 4.39 -1.13 -2.76 114.58 116.41 1u9m h GLU 69 Ca 0.19 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1u9m h GLU 69 Cb 0.24 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1u9m h GLU 69 CO -0.01 0.51 -0.13 1.25 -1.16 0.00 0.00 179.01 179.47 1u9m h LEU 70 N 0.45 0.08 -1.67 1.33 5.85 -0.99 -2.70 115.31 117.67 1u9m h LEU 70 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1u9m h LEU 70 Cb 0.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1u9m h LEU 70 CO -0.01 0.23 -0.19 0.77 -0.34 0.00 0.00 178.44 178.90 1u9m h SER 71 N 0.09 0.00 0.02 1.25 4.64 -0.88 -2.70 113.55 115.96 1u9m h SER 71 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1u9m h SER 71 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1u9m h SER 71 CO 0.02 0.19 -0.04 0.11 -0.87 0.00 0.00 176.83 176.23 1u9m h LYS 72 N 0.00 0.07 0.00 4.77 1.57 -1.50 -2.40 116.57 119.08 1u9m h LYS 72 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u9m h LYS 72 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1u9m h LYS 72 CO 0.02 0.12 0.00 0.25 -0.57 0.00 0.00 179.45 179.28 1u9m n THR 73 N -4.44 1.11 0.49 -0.16 -2.24 -1.02 -2.66 114.28 105.36 1u9m n THR 73 Ca -0.02 0.28 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1u9m n THR 73 Cb 0.15 -1.08 0.10 0.00 -2.10 0.00 0.00 70.33 67.40 1u9m n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1u9m n PHE 74 N -1.45 0.13 -2.07 4.78 3.72 -0.90 -5.00 117.46 116.66 1u9m n PHE 74 Ca 0.03 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.92 1u9m n PHE 74 Cb 0.12 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1u9m n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1u9m s ILE 75 N -1.28 2.87 0.00 4.37 1.01 -1.09 -1.28 121.20 125.80 1u9m s ILE 75 Ca 0.22 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1u9m s ILE 75 Cb 0.14 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1u9m s ILE 75 CO 0.21 0.10 0.30 2.30 0.00 0.00 0.00 174.94 177.84 1u9m n ILE 76 N 2.81 0.00 -3.85 2.92 -5.35 -0.46 -4.91 119.36 110.51 1u9m n ILE 76 Ca 0.08 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1u9m n ILE 76 Cb 0.41 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 1u9m n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u9m n GLY 77 N 0.12 -0.95 3.40 3.28 0.00 -1.23 -4.82 105.19 104.98 1u9m n GLY 77 Ca 0.00 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1u9m n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u9m s GLU 78 N -1.71 1.47 0.07 1.61 2.02 -0.28 -0.39 118.70 121.49 1u9m s GLU 78 Ca 0.00 -1.72 -0.30 0.00 0.02 0.00 0.00 54.97 52.97 1u9m s GLU 78 Cb 0.00 -1.11 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 1u9m s GLU 78 CO 0.00 0.07 0.99 -1.17 0.02 0.00 0.00 175.26 175.17 1u9m s LEU 79 N -3.40 4.44 0.29 1.80 2.96 0.13 -1.18 118.68 123.72 1u9m s LEU 79 Ca 0.27 1.76 -0.29 0.00 -0.22 0.00 0.00 54.13 55.66 1u9m s LEU 79 Cb 0.02 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 1u9m s LEU 79 CO 0.10 -0.17 1.18 1.57 -1.32 0.00 0.00 176.35 177.70 1u9m n HIS 80 N 3.29 1.74 -0.33 5.38 -0.00 -0.01 -4.79 115.22 120.50 1u9m n HIS 80 Ca 0.04 0.61 0.13 0.00 -0.00 0.00 0.00 57.72 58.50 1u9m n HIS 80 Cb 0.50 -2.34 0.34 0.00 -0.00 0.00 0.00 29.99 28.49 1u9m n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1u9m h PRO 81 N 2.64 0.73 -0.00 1.57 0.11 -1.93 -0.69 132.00 134.42 1u9m h PRO 81 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u9m h PRO 81 Cb 1.31 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u9m h PRO 81 CO 0.64 0.48 0.03 -0.44 -0.21 0.00 0.00 178.00 178.50 1u9m h ASP 82 N 0.75 0.00 -0.10 -2.05 3.32 -1.99 -2.00 116.42 114.35 1u9m h ASP 82 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1u9m h ASP 82 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1u9m h ASP 82 CO -0.31 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.68 1u9m n ASP 83 N -3.20 3.02 -0.30 6.45 10.43 -0.27 -5.13 116.55 127.55 1u9m n ASP 83 Ca -0.03 -1.96 0.15 0.00 2.57 0.00 0.00 54.79 55.52 1u9m n ASP 83 Cb 0.10 -0.05 0.68 0.00 1.84 0.00 0.00 41.12 43.69 1u9m n ASP 83 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67