#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chq s PRO 2 N 0.00 4.38 0.00 -2.82 0.04 -1.26 -4.93 135.00 130.41 1chq s PRO 2 Ca 0.00 2.18 0.29 0.00 0.04 0.00 0.00 61.00 63.51 1chq s PRO 2 Cb 0.00 -3.08 1.29 0.00 0.04 0.00 0.00 34.50 32.75 1chq s PRO 2 CO 0.00 -0.16 1.89 1.04 0.04 0.00 0.00 177.00 179.80 1chq n GLN 3 N 0.90 1.16 -3.61 4.56 1.13 -1.26 -4.89 117.38 115.37 1chq n GLN 3 Ca 0.00 -0.48 -0.09 0.00 -1.94 0.00 0.00 57.00 54.50 1chq n GLN 3 Cb 0.42 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.30 1chq n GLN 3 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1chq n ASN 4 N -0.50 -2.11 0.07 1.08 0.23 -1.26 -5.06 115.26 107.71 1chq n ASN 4 Ca 0.18 -2.51 -0.09 0.00 -0.53 0.00 0.00 54.58 51.63 1chq n ASN 4 Cb 0.27 3.53 0.02 0.00 -2.08 0.00 0.00 39.78 41.52 1chq n ASN 4 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1chq h ILE 5 N 1.93 1.43 -0.89 1.53 2.10 -1.95 0.07 117.51 121.73 1chq h ILE 5 Ca -0.31 -2.34 0.01 0.00 1.08 0.00 0.00 64.86 63.30 1chq h ILE 5 Cb 1.16 2.27 -0.05 0.00 -1.09 0.00 0.00 36.82 39.12 1chq h ILE 5 CO 0.40 0.69 0.59 0.74 -1.08 0.00 0.00 178.15 179.49 1chq h THR 6 N 0.19 1.21 0.02 2.19 2.02 -1.98 0.72 112.91 117.28 1chq h THR 6 Ca -0.04 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1chq h THR 6 Cb 1.39 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1chq h THR 6 CO 0.13 0.22 -0.01 0.44 0.37 0.00 0.00 175.52 176.66 1chq h ASP 7 N 1.19 -0.03 -1.03 4.18 5.19 -1.98 -2.65 116.42 121.30 1chq h ASP 7 Ca 0.33 -0.70 0.26 0.00 -0.62 0.00 0.00 57.03 56.30 1chq h ASP 7 Cb -0.11 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 39.30 1chq h ASP 7 CO -0.08 0.78 0.64 -0.07 -3.12 0.00 0.00 179.24 177.38 1chq h LEU 8 N -0.92 0.56 0.20 1.55 3.38 -0.76 -1.60 115.31 117.72 1chq h LEU 8 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1chq h LEU 8 Cb 0.73 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1chq h LEU 8 CO 0.01 0.10 -0.10 0.00 0.09 0.00 0.00 178.44 178.54 1chq n ALA 10 N -2.45 1.04 0.71 0.00 0.00 -0.63 -2.10 120.51 117.09 1chq n ALA 10 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1chq n ALA 10 Cb 0.25 -0.94 0.47 0.00 0.00 0.00 0.00 19.45 19.23 1chq n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1chq n GLU 11 N -1.36 0.18 -4.18 0.00 1.02 -1.05 -4.87 120.64 110.38 1chq n GLU 11 Ca 0.00 0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 1chq n GLU 11 Cb 0.02 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 29.67 1chq n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chq s TYR 12 N -3.09 2.06 -0.04 -0.32 2.02 -0.89 -5.13 117.35 111.96 1chq s TYR 12 Ca 0.11 -0.77 -0.04 0.00 -0.37 0.00 0.00 57.07 56.00 1chq s TYR 12 Cb 0.14 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1chq s TYR 12 CO 0.56 -0.06 0.18 -1.01 -1.57 0.00 0.00 175.55 173.65 1chq s HIS 13 N -2.73 3.57 0.00 2.71 3.76 -1.26 -4.25 115.29 117.09 1chq s HIS 13 Ca 0.30 0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 1chq s HIS 13 Cb 0.01 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.82 1chq s HIS 13 CO 0.17 0.67 0.00 0.09 -0.85 0.00 0.00 174.74 174.83 1chq n ASN 14 N 1.28 -3.22 -4.79 1.40 5.03 -1.26 -4.94 115.26 108.76 1chq n ASN 14 Ca -0.14 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.01 1chq n ASN 14 Cb 0.53 -2.12 0.08 0.00 -1.02 0.00 0.00 39.78 37.26 1chq n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1chq s THR 15 N -1.62 3.36 -0.28 3.41 -4.23 -1.26 -1.57 115.64 113.45 1chq s THR 15 Ca 0.00 0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 60.76 1chq s THR 15 Cb 0.00 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1chq s THR 15 CO 0.00 -0.58 0.86 -1.58 -0.54 0.00 0.00 174.62 172.78 1chq s GLN 16 N -5.05 0.57 0.48 3.99 0.74 -0.74 -4.81 119.66 114.85 1chq s GLN 16 Ca 0.60 0.89 -0.13 0.00 0.05 0.00 0.00 55.36 56.77 1chq s GLN 16 Cb -0.15 0.17 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 1chq s GLN 16 CO 0.55 -0.10 0.89 0.42 -0.55 0.00 0.00 175.29 176.50 1chq s ILE 17 N 1.11 4.68 -0.19 -2.34 -1.09 -1.26 -0.89 121.20 121.22 1chq s ILE 17 Ca -0.06 0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 59.19 1chq s ILE 17 Cb -0.05 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.17 1chq s ILE 17 CO -0.13 -0.70 0.27 -1.00 -1.23 0.00 0.00 174.94 172.16 1chq s HIS 18 N -2.61 -0.45 0.29 3.97 3.76 -0.11 -4.92 115.29 115.22 1chq s HIS 18 Ca 0.55 0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 55.77 1chq s HIS 18 Cb -0.10 -0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.32 1chq s HIS 18 CO 0.35 -0.56 0.98 0.99 -0.85 0.00 0.00 174.74 175.66 1chq s THR 19 N 2.41 3.97 0.10 1.30 2.01 -1.26 -0.85 115.64 123.32 1chq s THR 19 Ca 0.06 1.83 0.00 0.00 0.31 0.00 0.00 61.69 63.89 1chq s THR 19 Cb -0.15 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1chq s THR 19 CO -0.12 0.32 0.00 0.18 -0.69 0.00 0.00 174.62 174.31 1chq n LEU 20 N 0.99 0.50 -4.05 4.42 7.99 0.15 -4.95 117.00 122.06 1chq n LEU 20 Ca 0.00 0.16 -0.32 0.00 -0.01 0.00 0.00 56.01 55.83 1chq n LEU 20 Cb 0.48 -0.09 -0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1chq n LEU 20 CO 0.48 -0.55 0.01 0.59 -1.51 0.00 0.00 177.39 176.42 1chq n ASN 21 N -3.28 -3.62 -3.81 -1.43 4.13 -0.20 -4.94 115.26 102.12 1chq n ASN 21 Ca 0.00 -0.90 -0.10 0.00 1.68 0.00 0.00 54.58 55.26 1chq n ASN 21 Cb 0.13 -3.32 -0.07 0.00 -1.54 0.00 0.00 39.78 34.98 1chq n ASN 21 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1chq s ASP 22 N -3.43 0.00 0.54 6.41 2.15 -1.15 -4.94 116.67 116.25 1chq s ASP 22 Ca 0.62 -0.44 -0.08 0.00 0.43 0.00 0.00 52.55 53.07 1chq s ASP 22 Cb -0.32 0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 1chq s ASP 22 CO 0.88 -0.68 0.90 -1.59 -0.17 0.00 0.00 175.17 174.51 1chq s LYS 23 N -3.25 3.59 0.08 4.34 -2.85 -1.26 -2.20 119.74 118.20 1chq s LYS 23 Ca 0.00 0.48 -0.31 0.00 -1.00 0.00 0.00 55.97 55.14 1chq s LYS 23 Cb 0.02 -2.24 -0.08 0.00 -2.06 0.00 0.00 37.83 33.47 1chq s LYS 23 CO -0.08 -0.36 1.46 0.42 0.10 0.00 0.00 175.35 176.90 1chq s ILE 24 N -2.91 3.27 0.06 3.79 1.01 -1.26 -4.57 121.20 120.58 1chq s ILE 24 Ca 0.51 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.98 1chq s ILE 24 Cb -0.11 -3.53 -0.27 0.00 0.01 0.00 0.00 42.46 38.56 1chq s ILE 24 CO 0.48 0.04 1.07 0.15 0.00 0.00 0.00 174.94 176.68 1chq h PHE 25 N 7.33 0.38 -3.77 3.97 3.57 -0.82 -3.47 116.94 124.12 1chq h PHE 25 Ca -0.41 -0.27 -0.13 0.00 3.53 0.00 0.00 57.97 60.69 1chq h PHE 25 Cb 1.20 -0.02 -0.18 0.00 2.79 0.00 0.00 35.95 39.75 1chq h PHE 25 CO 0.70 1.25 -0.52 0.45 -2.23 0.00 0.00 178.31 177.96 1chq s SER 26 N -6.99 0.16 -0.03 0.41 0.15 -1.08 -5.00 113.70 101.33 1chq s SER 26 Ca -0.04 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.10 1chq s SER 26 Cb 0.08 0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1chq s SER 26 CO 0.86 -0.50 0.02 -0.47 1.20 0.00 0.00 173.24 174.35 1chq s TYR 27 N -2.54 0.21 -0.05 3.44 5.04 -1.26 -2.60 117.35 119.60 1chq s TYR 27 Ca -0.06 0.08 0.06 0.00 -2.44 0.00 0.00 57.07 54.71 1chq s TYR 27 Cb -0.02 -0.42 -0.01 0.00 0.35 0.00 0.00 41.96 41.87 1chq s TYR 27 CO -0.04 -0.15 -0.22 0.99 -1.34 0.00 0.00 175.55 174.78 1chq s THR 28 N 1.40 1.81 -0.03 4.34 2.01 0.28 -4.98 115.64 120.47 1chq s THR 28 Ca -0.05 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.04 1chq s THR 28 Cb -0.13 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1chq s THR 28 CO -0.03 0.51 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.61 1chq s GLU 29 N -0.18 1.08 -0.03 4.92 2.12 -1.26 -0.14 118.70 125.22 1chq s GLU 29 Ca -0.01 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1chq s GLU 29 Cb -0.12 -0.99 0.02 0.00 0.26 0.00 0.00 34.13 33.29 1chq s GLU 29 CO 0.02 0.12 -0.04 0.45 -0.54 0.00 0.00 175.26 175.27 1chq s SER 30 N 0.22 0.74 0.00 -1.70 0.15 0.40 -5.00 113.70 108.50 1chq s SER 30 Ca -0.04 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 56.63 1chq s SER 30 Cb -0.09 -0.31 0.33 0.00 -1.71 0.00 0.00 66.02 64.24 1chq s SER 30 CO 0.01 -0.03 1.28 0.00 1.20 0.00 0.00 173.24 175.69 1chq n LEU 31 N 3.80 3.01 -4.70 3.45 -0.00 -1.26 -1.82 117.00 119.48 1chq n LEU 31 Ca -0.23 -1.99 -0.42 0.00 -0.00 0.00 0.00 56.01 53.36 1chq n LEU 31 Cb 0.52 -0.25 -0.03 0.00 -0.00 0.00 0.00 43.42 43.66 1chq n LEU 31 CO 0.24 0.75 1.05 0.00 -0.00 0.00 0.00 177.39 179.43 1chq s ALA 32 N -1.00 3.54 0.00 1.47 0.00 -1.26 -4.78 121.76 119.73 1chq s ALA 32 Ca 0.25 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1chq s ALA 32 Cb 0.13 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1chq s ALA 32 CO 0.17 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1chq n GLY 33 N 3.52 0.00 2.18 0.00 0.00 -1.26 -3.15 105.19 106.48 1chq n GLY 33 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1chq n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1chq n LYS 34 N 0.00 -0.73 -1.29 1.61 0.00 -1.26 -4.50 118.16 111.99 1chq n LYS 34 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.31 1chq n LYS 34 Cb 0.00 -1.90 0.12 0.00 -0.00 0.00 0.00 35.03 33.25 1chq n LYS 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1chq n ASP 35 N 0.94 2.35 -4.55 -5.58 5.75 -1.19 -4.94 116.55 109.33 1chq n ASP 35 Ca 0.00 -3.38 -0.20 0.00 -0.01 0.00 0.00 54.79 51.20 1chq n ASP 35 Cb 0.02 -0.44 -0.08 0.00 -1.03 0.00 0.00 41.12 39.59 1chq n ASP 35 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1chq n GLU 36 N -0.70 0.59 -4.24 0.11 4.71 -1.26 -4.73 120.64 115.12 1chq n GLU 36 Ca 0.22 -0.54 -0.13 0.00 -0.01 0.00 0.00 57.16 56.69 1chq n GLU 36 Cb 0.85 -3.28 -0.10 0.00 -1.01 0.00 0.00 31.44 27.89 1chq n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1chq s MET 37 N 8.59 1.14 -0.02 3.49 0.23 -0.76 -4.61 119.30 127.37 1chq s MET 37 Ca 1.00 -1.57 0.05 0.00 -1.03 0.00 0.00 55.69 54.14 1chq s MET 37 Cb -0.26 -0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 32.89 1chq s MET 37 CO 0.19 -0.20 -0.18 0.00 -2.03 0.00 0.00 175.02 172.80 1chq s ALA 38 N -3.78 1.50 -0.05 3.16 0.00 -1.26 -0.46 121.76 120.88 1chq s ALA 38 Ca 0.28 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1chq s ALA 38 Cb 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1chq s ALA 38 CO 0.06 0.35 -0.12 0.42 0.00 0.00 0.00 175.76 176.48 1chq s ILE 39 N -0.35 1.05 0.07 0.00 1.01 0.81 -2.65 121.20 121.14 1chq s ILE 39 Ca 0.05 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1chq s ILE 39 Cb -0.08 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1chq s ILE 39 CO -0.00 0.33 -0.21 0.27 0.00 0.00 0.00 174.94 175.32 1chq s ILE 40 N 0.46 1.73 0.08 2.92 -4.36 -0.39 -0.56 121.20 121.08 1chq s ILE 40 Ca -0.10 -1.38 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1chq s ILE 40 Cb -0.13 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 1chq s ILE 40 CO 0.02 0.09 -0.06 0.42 0.24 0.00 0.00 174.94 175.65 1chq s THR 41 N -0.97 0.60 0.45 8.37 -4.23 -1.07 -0.33 115.64 118.47 1chq s THR 41 Ca 0.07 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1chq s THR 41 Cb -0.09 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1chq s THR 41 CO 0.03 -0.78 0.25 -0.36 -0.54 0.00 0.00 174.62 173.22 1chq s PHE 42 N -3.13 2.34 0.31 3.99 0.40 -0.34 -0.13 117.98 121.41 1chq s PHE 42 Ca 0.06 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1chq s PHE 42 Cb 0.02 -1.96 0.49 0.00 0.51 0.00 0.00 43.02 42.08 1chq s PHE 42 CO -0.04 -0.01 1.86 -0.22 0.70 0.00 0.00 175.22 177.51 1chq h LYS 43 N 1.20 0.74 0.00 0.44 3.64 -1.90 -2.71 116.57 117.99 1chq h LYS 43 Ca -0.41 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1chq h LYS 43 Cb 1.27 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1chq h LYS 43 CO 0.65 0.66 0.00 0.27 -2.27 0.00 0.00 179.45 178.77 1chq n ASN 44 N -4.30 0.00 0.00 4.20 0.23 -1.26 -4.83 115.26 109.30 1chq n ASN 44 Ca 0.03 -0.22 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 1chq n ASN 44 Cb 0.21 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1chq n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1chq n GLY 45 N -0.37 2.84 3.68 4.83 0.00 -1.02 -5.07 105.19 110.09 1chq n GLY 45 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1chq n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chq n ALA 46 N -0.88 1.65 -4.05 4.61 0.00 -1.26 -4.75 120.51 115.82 1chq n ALA 46 Ca 0.00 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 1chq n ALA 46 Cb 0.00 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 16.92 1chq n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1chq s THR 47 N 0.66 1.75 0.23 0.00 2.01 -1.26 -1.20 115.64 117.83 1chq s THR 47 Ca 0.75 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 62.07 1chq s THR 47 Cb -0.63 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1chq s THR 47 CO 0.40 0.45 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.24 1chq s PHE 48 N 1.41 2.07 0.24 4.92 0.08 0.56 -3.92 117.98 123.34 1chq s PHE 48 Ca 0.04 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.70 1chq s PHE 48 Cb -0.13 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1chq s PHE 48 CO -0.11 0.54 0.04 1.14 -0.10 0.00 0.00 175.22 176.73 1chq s GLN 49 N -3.33 1.36 -0.19 0.44 -2.07 -0.95 -1.26 119.66 113.66 1chq s GLN 49 Ca 0.25 -1.71 -0.05 0.00 -1.82 0.00 0.00 55.36 52.03 1chq s GLN 49 Cb -0.04 -0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 31.40 1chq s GLN 49 CO 0.11 -0.19 -0.01 0.08 -1.32 0.00 0.00 175.29 173.96 1chq s VAL 50 N -3.57 3.90 0.98 3.63 1.01 -1.08 -1.60 120.40 123.67 1chq s VAL 50 Ca 0.32 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1chq s VAL 50 Cb 0.07 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1chq s VAL 50 CO 0.11 0.44 0.19 -1.84 0.00 0.00 0.00 175.10 174.00 1chq n GLU 51 N 4.10 -0.45 -2.88 2.72 0.28 -1.26 -4.39 120.64 118.75 1chq n GLU 51 Ca -0.17 -0.10 -0.41 0.00 -0.16 0.00 0.00 57.16 56.32 1chq n GLU 51 Cb 0.52 -1.73 -0.04 0.00 1.43 0.00 0.00 31.44 31.62 1chq n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1chq s VAL 52 N -2.32 4.80 -0.11 3.84 1.01 -1.26 -4.94 120.40 121.41 1chq s VAL 52 Ca 0.55 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 1chq s VAL 52 Cb -0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1chq s VAL 52 CO 0.69 0.28 1.55 -2.16 0.00 0.00 0.00 175.10 175.46 1chq s PRO 53 N 0.43 4.12 0.00 2.72 0.04 -1.26 -4.91 135.00 136.13 1chq s PRO 53 Ca 0.43 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1chq s PRO 53 Cb -0.20 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1chq s PRO 53 CO 0.24 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1chq n GLY 54 N 4.11 1.36 0.00 0.56 0.00 -1.26 -5.05 105.19 104.90 1chq n GLY 54 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1chq n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1chq n SER 55 N -0.30 0.00 -0.22 1.61 7.64 -1.26 -1.24 113.62 119.85 1chq n SER 55 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1chq n SER 55 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1chq n SER 55 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1chq h GLN 56 N 0.00 0.96 -6.62 1.43 3.07 -1.99 -3.44 115.11 108.51 1chq h GLN 56 Ca 0.00 -0.19 -0.52 0.00 0.09 0.00 0.00 58.65 58.03 1chq h GLN 56 Cb 0.00 -0.15 0.05 0.00 0.08 0.00 0.00 27.48 27.46 1chq h GLN 56 CO 0.00 0.83 0.91 -1.01 0.09 0.00 0.00 178.83 179.64 1chq s HIS 57 N -5.48 3.02 0.00 0.06 3.76 -0.37 -5.00 115.29 111.28 1chq s HIS 57 Ca -0.13 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 1chq s HIS 57 Cb 0.13 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.85 1chq s HIS 57 CO 0.81 -3.60 0.00 0.44 -0.85 0.00 0.00 174.74 171.54 1chq n ILE 58 N 3.90 0.00 -0.03 0.60 -5.35 -1.26 -4.81 119.36 112.41 1chq n ILE 58 Ca 0.14 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.58 1chq n ILE 58 Cb 0.38 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.26 1chq n ILE 58 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1chq n ASP 59 N 0.00 1.37 0.27 7.28 9.92 -1.26 -3.90 116.55 130.23 1chq n ASP 59 Ca 0.00 0.21 0.18 0.00 -0.53 0.00 0.00 54.79 54.66 1chq n ASP 59 Cb 0.00 -0.53 0.94 0.00 -0.64 0.00 0.00 41.12 40.89 1chq n ASP 59 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1chq h SER 60 N -0.49 0.00 0.57 -2.24 4.64 -1.99 0.85 113.55 114.89 1chq h SER 60 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1chq h SER 60 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1chq h SER 60 CO 0.00 0.00 -1.58 -0.61 -0.87 0.00 0.00 176.83 173.77 1chq h GLN 61 N 0.00 0.01 -0.10 4.77 4.15 -1.95 -3.10 115.11 118.89 1chq h GLN 61 Ca 0.04 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1chq h GLN 61 Cb 0.35 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1chq h GLN 61 CO -0.00 0.61 -0.48 0.87 -1.93 0.00 0.00 178.83 177.90 1chq h LYS 62 N 0.00 0.24 0.00 1.69 1.57 -0.97 -2.82 116.57 116.29 1chq h LYS 62 Ca -0.24 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1chq h LYS 62 Cb 1.97 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.29 1chq h LYS 62 CO 0.09 0.68 -0.60 0.36 -0.57 0.00 0.00 179.45 179.41 1chq n LYS 63 N -3.97 0.01 0.10 3.15 2.85 -0.80 -3.29 118.16 116.20 1chq n LYS 63 Ca -0.02 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.10 1chq n LYS 63 Cb 0.53 -1.51 -0.11 0.00 -0.65 0.00 0.00 35.03 33.29 1chq n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1chq h ALA 64 N 2.98 0.18 -0.82 0.58 0.00 -1.46 -2.34 119.26 118.38 1chq h ALA 64 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1chq h ALA 64 Cb 0.51 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1chq h ALA 64 CO 0.00 0.94 0.40 0.82 0.00 0.00 0.00 179.25 181.41 1chq h ILE 65 N 0.10 1.25 -0.42 0.00 2.04 -1.57 0.44 117.51 119.36 1chq h ILE 65 Ca -0.12 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1chq h ILE 65 Cb 1.86 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1chq h ILE 65 CO 0.19 0.30 0.05 -0.33 0.00 0.00 0.00 178.15 178.37 1chq h GLU 66 N 1.17 0.70 -0.78 2.37 4.39 -1.53 -2.32 114.58 118.58 1chq h GLU 66 Ca 0.28 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1chq h GLU 66 Cb 0.11 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1chq h GLU 66 CO -0.04 0.75 0.32 -0.09 -1.16 0.00 0.00 179.01 178.79 1chq h ARG 67 N 0.55 1.15 -0.70 2.33 2.43 -1.09 -2.24 114.38 116.81 1chq h ARG 67 Ca 0.13 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1chq h ARG 67 Cb 0.40 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1chq h ARG 67 CO 0.01 0.93 0.42 1.98 -1.51 0.00 0.00 179.97 181.80 1chq h MET 68 N 1.13 0.96 -0.44 0.20 4.05 -0.69 0.81 114.93 120.95 1chq h MET 68 Ca 0.26 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 1chq h MET 68 Cb 0.20 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1chq h MET 68 CO -0.02 0.69 0.03 0.87 0.23 0.00 0.00 176.91 178.71 1chq h LYS 69 N 0.96 0.69 -0.47 0.39 1.57 -1.13 -1.09 116.57 117.50 1chq h LYS 69 Ca 0.25 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1chq h LYS 69 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1chq h LYS 69 CO -0.05 0.69 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.99 1chq h ASP 70 N 0.66 0.91 -0.57 0.86 5.19 -0.88 -0.54 116.42 122.05 1chq h ASP 70 Ca 0.14 -0.35 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 1chq h ASP 70 Cb 0.36 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1chq h ASP 70 CO 0.01 1.05 0.18 0.74 -3.12 0.00 0.00 179.24 178.10 1chq h THR 71 N 0.75 1.24 -0.29 0.35 2.02 -0.34 -1.65 112.91 114.98 1chq h THR 71 Ca 0.12 -0.80 -0.14 0.00 0.77 0.00 0.00 66.41 66.36 1chq h THR 71 Cb 0.64 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1chq h THR 71 CO 0.04 0.30 -0.35 -0.07 0.37 0.00 0.00 175.52 175.82 1chq h LEU 72 N 0.80 0.81 0.61 2.58 3.38 -1.11 -0.38 115.31 122.00 1chq h LEU 72 Ca 0.18 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1chq h LEU 72 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1chq h LEU 72 CO -0.01 1.14 -0.33 -0.09 0.09 0.00 0.00 178.44 179.24 1chq h ARG 73 N 0.50 -0.84 0.00 1.13 2.43 -1.00 0.56 114.38 117.16 1chq h ARG 73 Ca 0.04 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1chq h ARG 73 Cb 0.93 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1chq h ARG 73 CO 0.08 -0.56 -0.11 0.97 -1.51 0.00 0.00 179.97 178.85 1chq h ILE 74 N -0.87 0.57 -0.09 1.20 6.09 -1.32 -0.86 117.51 122.23 1chq h ILE 74 Ca -0.08 -0.48 -0.22 0.00 -1.37 0.00 0.00 64.86 62.71 1chq h ILE 74 Cb 0.69 1.31 0.01 0.00 0.47 0.00 0.00 36.82 39.30 1chq h ILE 74 CO 0.11 0.11 -0.80 0.00 -3.07 0.00 0.00 178.15 174.50 1chq h ALA 75 N 1.89 0.21 -0.03 0.18 0.00 -0.82 -1.14 119.26 119.57 1chq h ALA 75 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1chq h ALA 75 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1chq h ALA 75 CO 0.01 0.60 0.01 -0.92 0.00 0.00 0.00 179.25 178.96 1chq h TYR 76 N 0.38 0.04 -0.79 0.00 3.20 -0.17 -1.55 116.97 118.07 1chq h TYR 76 Ca -0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1chq h TYR 76 Cb 1.45 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 1chq h TYR 76 CO 0.10 0.20 0.35 -0.07 -1.64 0.00 0.00 178.16 177.11 1chq h LEU 77 N -0.14 1.05 -0.47 2.82 3.38 -1.18 -2.05 115.31 118.72 1chq h LEU 77 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1chq h LEU 77 Cb 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1chq h LEU 77 CO -0.00 0.91 -0.03 0.35 0.09 0.00 0.00 178.44 179.76 1chq n THR 78 N -4.30 0.00 -3.64 0.22 -2.24 -0.43 -4.95 114.28 98.94 1chq n THR 78 Ca 0.08 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 1chq n THR 78 Cb 0.16 0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1chq n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chq n GLU 79 N -0.48 -4.79 -2.99 -0.78 1.02 -0.68 -4.96 120.64 106.98 1chq n GLU 79 Ca 0.20 0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 1chq n GLU 79 Cb 0.25 -5.24 -0.06 0.00 -0.02 0.00 0.00 31.44 26.37 1chq n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chq s ALA 80 N -3.61 3.44 -0.36 0.62 0.00 -0.67 -4.95 121.76 116.23 1chq s ALA 80 Ca 0.05 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 1chq s ALA 80 Cb -0.01 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1chq s ALA 80 CO 0.80 0.30 1.25 0.21 0.00 0.00 0.00 175.76 178.32 1chq s LYS 81 N -1.25 3.84 -0.21 0.00 2.20 -1.26 -4.39 119.74 118.67 1chq s LYS 81 Ca 0.37 1.02 -0.24 0.00 -0.36 0.00 0.00 55.97 56.76 1chq s LYS 81 Cb -0.22 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 1chq s LYS 81 CO 0.26 -1.22 0.79 0.14 -0.36 0.00 0.00 175.35 174.96 1chq s VAL 82 N 4.46 4.89 -0.04 4.02 -7.23 -0.93 -3.18 120.40 122.38 1chq s VAL 82 Ca 0.54 1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 62.12 1chq s VAL 82 Cb -0.13 -4.09 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 1chq s VAL 82 CO 0.25 -0.00 0.48 -0.08 -0.31 0.00 0.00 175.10 175.44 1chq h GLU 83 N 7.52 -0.37 -4.49 4.82 4.81 -1.36 -0.49 114.58 125.02 1chq h GLU 83 Ca -0.27 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.78 1chq h GLU 83 Cb 1.12 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 1chq h GLU 83 CO 0.84 -0.25 -0.65 0.15 -0.73 0.00 0.00 179.01 178.37 1chq s LYS 84 N -2.80 0.94 -0.01 1.92 1.02 -1.22 0.33 119.74 119.92 1chq s LYS 84 Ca -0.06 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1chq s LYS 84 Cb 0.01 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.46 1chq s LYS 84 CO 0.17 -0.22 0.00 -0.51 -0.92 0.00 0.00 175.35 173.87 1chq s LEU 85 N -3.07 1.50 -0.34 3.17 1.43 -0.03 -2.02 118.68 119.33 1chq s LEU 85 Ca 0.23 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 1chq s LEU 85 Cb 0.07 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 1chq s LEU 85 CO 0.01 -0.06 0.26 0.00 0.23 0.00 0.00 176.35 176.80 1chq s VAL 87 N 1.76 2.03 -0.78 0.00 -7.23 -0.07 -1.04 120.40 115.08 1chq s VAL 87 Ca 0.07 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 1chq s VAL 87 Cb -0.17 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.03 1chq s VAL 87 CO 0.11 0.23 1.33 0.26 -0.31 0.00 0.00 175.10 176.72 1chq s TRP 88 N -0.90 2.29 -1.40 2.82 0.51 0.12 -1.78 118.94 120.59 1chq s TRP 88 Ca 0.11 -0.12 0.05 0.00 -2.12 0.00 0.00 56.10 54.02 1chq s TRP 88 Cb -0.10 -4.61 0.24 0.00 -0.81 0.00 0.00 33.47 28.19 1chq s TRP 88 CO 0.03 -2.07 1.00 0.27 -0.51 0.00 0.00 176.95 175.67 1chq n ASN 89 N 9.49 0.00 -0.02 2.95 0.23 -0.61 -2.63 115.26 124.67 1chq n ASN 89 Ca 0.08 0.23 0.15 0.00 -0.53 0.00 0.00 54.58 54.52 1chq n ASN 89 Cb 0.49 -0.30 0.79 0.00 -2.08 0.00 0.00 39.78 38.68 1chq n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chq n ASN 90 N -1.30 0.08 -4.68 0.53 6.94 -1.26 -4.84 115.26 110.73 1chq n ASN 90 Ca 0.02 -0.44 -0.23 0.00 -0.02 0.00 0.00 54.58 53.91 1chq n ASN 90 Cb 0.04 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 1chq n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chq s LYS 91 N -2.40 2.27 -0.21 -3.83 -0.14 -1.08 -5.06 119.74 109.29 1chq s LYS 91 Ca 0.34 -1.55 -0.04 0.00 -1.36 0.00 0.00 55.97 53.36 1chq s LYS 91 Cb 0.21 -2.11 0.11 0.00 -1.68 0.00 0.00 37.83 34.35 1chq s LYS 91 CO 0.44 0.21 0.33 0.99 -0.76 0.00 0.00 175.35 176.56 1chq s THR 92 N -2.41 -0.52 0.54 2.17 2.01 -1.26 -2.81 115.64 113.35 1chq s THR 92 Ca 0.35 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.14 1chq s THR 92 Cb -0.03 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1chq s THR 92 CO 0.21 -0.08 1.24 -2.65 -0.69 0.00 0.00 174.62 172.65 1chq n PRO 93 N 5.36 1.51 -1.70 4.92 -0.02 -1.26 -5.05 135.00 138.76 1chq n PRO 93 Ca -0.05 0.56 -0.54 0.00 -2.02 0.00 0.00 63.50 61.44 1chq n PRO 93 Cb 0.50 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1chq n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1chq n HIS 94 N -1.07 2.13 -2.00 6.00 8.25 -1.12 -4.38 115.22 123.03 1chq n HIS 94 Ca 0.11 0.36 -0.34 0.00 -0.26 0.00 0.00 57.72 57.59 1chq n HIS 94 Cb 0.44 -2.52 0.03 0.00 1.12 0.00 0.00 29.99 29.05 1chq n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chq s ALA 95 N 3.59 2.57 -0.20 -1.41 0.00 -1.17 -2.25 121.76 122.88 1chq s ALA 95 Ca 0.96 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1chq s ALA 95 Cb -0.94 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 1chq s ALA 95 CO 0.60 -1.04 0.21 0.42 0.00 0.00 0.00 175.76 175.95 1chq s ILE 96 N -2.02 5.35 -0.15 0.00 1.01 -0.63 0.12 121.20 124.87 1chq s ILE 96 Ca 0.70 0.33 0.11 0.00 0.00 0.00 0.00 60.65 61.79 1chq s ILE 96 Cb -0.23 -3.55 -0.17 0.00 0.01 0.00 0.00 42.46 38.53 1chq s ILE 96 CO 0.34 0.38 0.01 0.00 0.00 0.00 0.00 174.94 175.67 1chq n ALA 97 N 3.89 1.63 -3.39 9.38 0.00 -0.20 -4.73 120.51 127.08 1chq n ALA 97 Ca -0.14 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 1chq n ALA 97 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 1chq n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chq s ALA 98 N -2.35 -1.55 0.01 0.00 0.00 -0.87 -4.98 121.76 112.02 1chq s ALA 98 Ca -0.10 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1chq s ALA 98 Cb 0.05 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 1chq s ALA 98 CO 0.56 -0.71 -0.01 -1.50 0.00 0.00 0.00 175.76 174.11 1chq s ILE 99 N -3.46 0.09 0.01 0.00 2.07 -1.26 -0.63 121.20 118.02 1chq s ILE 99 Ca -0.00 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 58.49 1chq s ILE 99 Cb -0.01 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 1chq s ILE 99 CO -0.10 -0.43 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.44 1chq s SER 100 N -1.28 1.35 0.05 4.50 1.04 -0.85 -5.01 113.70 113.51 1chq s SER 100 Ca -0.14 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.05 1chq s SER 100 Cb -0.09 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 1chq s SER 100 CO -0.01 0.08 -0.17 -0.04 0.98 0.00 0.00 173.24 174.08 1chq s MET 101 N -0.61 1.09 -0.08 4.02 -1.94 -1.26 -0.99 119.30 119.53 1chq s MET 101 Ca 0.02 -0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1chq s MET 101 Cb -0.06 -1.17 0.04 0.00 2.01 0.00 0.00 34.83 35.65 1chq s MET 101 CO 0.00 0.29 0.08 0.00 -0.01 0.00 0.00 175.02 175.38 1chq s ALA 102 N -0.93 0.22 0.00 3.03 0.00 -1.19 -4.87 121.76 118.01 1chq s ALA 102 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1chq s ALA 102 Cb -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1chq s ALA 102 CO 0.02 -0.67 0.00 -1.71 0.00 0.00 0.00 175.76 173.40