#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 0.02 -1.26 -4.97 135.00 130.35 1chq s PRO 2 Ca 0.00 1.65 0.20 0.00 0.02 0.00 0.00 61.00 62.87 1chq s PRO 2 Cb 0.00 -2.85 0.11 0.00 0.02 0.00 0.00 34.50 31.78 1chq s PRO 2 CO 0.00 0.02 1.09 1.04 -0.33 0.00 0.00 177.00 178.82 1chq n GLN 3 N 0.53 1.71 -4.08 5.54 6.02 -1.26 -4.93 117.38 120.91 1chq n GLN 3 Ca 0.02 -1.46 -0.10 0.00 -0.01 0.00 0.00 57.00 55.45 1chq n GLN 3 Cb 0.47 -1.38 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 1chq n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1chq s ASN 4 N -1.84 0.01 0.28 1.08 4.22 -1.26 -5.08 114.94 112.34 1chq s ASN 4 Ca 0.21 -1.11 0.09 0.00 -2.14 0.00 0.00 52.86 49.91 1chq s ASN 4 Cb 0.16 0.50 0.38 0.00 1.28 0.00 0.00 41.25 43.58 1chq s ASN 4 CO 0.33 -1.01 1.63 -0.29 -2.04 0.00 0.00 177.10 175.72 1chq h ILE 5 N 2.41 1.40 -0.33 0.54 2.10 -1.97 -2.99 117.51 118.67 1chq h ILE 5 Ca -0.30 -1.94 -0.14 0.00 1.08 0.00 0.00 64.86 63.55 1chq h ILE 5 Cb 1.25 2.03 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 1chq h ILE 5 CO 0.43 0.56 -0.37 0.74 -1.08 0.00 0.00 178.15 178.43 1chq h THR 6 N 0.05 1.28 0.82 2.19 2.02 -1.98 -0.06 112.91 117.23 1chq h THR 6 Ca -0.00 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.60 1chq h THR 6 Cb 1.02 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1chq h THR 6 CO 0.08 0.50 -0.41 0.44 0.37 0.00 0.00 175.52 176.50 1chq h ASP 7 N 0.64 -0.98 -0.69 4.18 3.32 -1.99 -2.96 116.42 117.94 1chq h ASP 7 Ca 0.06 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.24 1chq h ASP 7 Cb 0.92 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 1chq h ASP 7 CO 0.08 -0.68 0.34 0.25 -1.72 0.00 0.00 179.24 177.51 1chq h LEU 8 N -1.12 0.44 -2.53 1.55 6.46 -1.48 -0.51 115.31 118.11 1chq h LEU 8 Ca -0.11 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1chq h LEU 8 Cb 0.87 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1chq h LEU 8 CO 0.17 0.25 0.00 0.00 -0.62 0.00 0.00 178.44 178.25 1chq n ALA 10 N -2.02 2.81 1.51 0.00 0.00 -0.20 -3.64 120.51 118.97 1chq n ALA 10 Ca -0.02 -0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1chq n ALA 10 Cb 0.09 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.48 1chq n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1chq n GLU 11 N -1.45 1.40 -4.42 0.00 2.13 -0.54 -4.91 120.64 112.84 1chq n GLU 11 Ca 0.07 -0.61 -0.21 0.00 0.66 0.00 0.00 57.16 57.08 1chq n GLU 11 Cb 0.33 -1.24 -0.10 0.00 0.27 0.00 0.00 31.44 30.70 1chq n GLU 11 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1chq s TYR 12 N -1.82 1.92 -0.20 4.31 2.02 -1.24 -5.12 117.35 117.22 1chq s TYR 12 Ca 0.21 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 1chq s TYR 12 Cb 0.11 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1chq s TYR 12 CO 0.16 0.24 0.50 -1.58 -1.57 0.00 0.00 175.55 173.31 1chq s HIS 13 N -3.05 3.37 -0.64 2.71 5.65 -1.26 -4.23 115.29 117.83 1chq s HIS 13 Ca 0.30 0.75 -0.03 0.00 0.25 0.00 0.00 55.06 56.33 1chq s HIS 13 Cb 0.04 -2.65 0.00 0.00 -1.18 0.00 0.00 32.58 28.79 1chq s HIS 13 CO 0.12 -0.09 0.40 0.09 -0.65 0.00 0.00 174.74 174.60 1chq n ASN 14 N 4.76 -3.76 -5.00 9.88 3.02 -1.26 -4.98 115.26 117.92 1chq n ASN 14 Ca -0.05 -0.18 -0.17 0.00 -0.03 0.00 0.00 54.58 54.14 1chq n ASN 14 Cb 0.50 -2.49 0.01 0.00 -0.61 0.00 0.00 39.78 37.20 1chq n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1chq s THR 15 N -2.98 3.18 -0.29 3.41 -4.23 -1.26 -1.89 115.64 111.58 1chq s THR 15 Ca 0.20 -1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1chq s THR 15 Cb -0.09 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.84 1chq s THR 15 CO 0.24 -0.03 1.01 -1.58 -0.54 0.00 0.00 174.62 173.73 1chq s GLN 16 N -4.32 0.32 0.14 3.99 0.74 -0.63 -4.81 119.66 115.09 1chq s GLN 16 Ca 0.53 0.61 -0.25 0.00 0.05 0.00 0.00 55.36 56.31 1chq s GLN 16 Cb -0.10 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 34.10 1chq s GLN 16 CO 0.33 -0.08 0.76 0.42 -0.55 0.00 0.00 175.29 176.17 1chq s ILE 17 N 1.60 4.45 -0.01 -2.34 -1.09 -1.26 -1.88 121.20 120.66 1chq s ILE 17 Ca -0.07 1.65 0.06 0.00 -2.23 0.00 0.00 60.65 60.06 1chq s ILE 17 Cb -0.04 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1chq s ILE 17 CO -0.15 0.50 -0.18 -1.00 -1.23 0.00 0.00 174.94 172.88 1chq s HIS 18 N -0.98 1.63 -0.19 3.97 3.76 -0.16 -4.97 115.29 118.35 1chq s HIS 18 Ca 0.36 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.93 1chq s HIS 18 Cb -0.22 -1.05 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 1chq s HIS 18 CO 0.25 -0.03 -0.06 0.99 -0.85 0.00 0.00 174.74 175.04 1chq s THR 19 N -0.42 3.34 -0.14 1.30 2.01 -1.26 -1.10 115.64 119.37 1chq s THR 19 Ca 0.07 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1chq s THR 19 Cb -0.07 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.86 1chq s THR 19 CO -0.01 0.45 -0.13 0.18 -0.69 0.00 0.00 174.62 174.42 1chq n LEU 20 N 4.41 2.69 -4.16 4.42 7.99 0.35 -4.99 117.00 127.71 1chq n LEU 20 Ca -0.18 -0.04 -0.29 0.00 -0.01 0.00 0.00 56.01 55.49 1chq n LEU 20 Cb 0.51 -0.48 -0.06 0.00 -0.11 0.00 0.00 43.42 43.28 1chq n LEU 20 CO 0.30 0.67 -0.36 0.59 -1.51 0.00 0.00 177.39 177.08 1chq n ASN 21 N -3.02 0.28 -3.60 -1.43 5.03 0.08 -4.91 115.26 107.68 1chq n ASN 21 Ca -0.25 -1.16 -0.11 0.00 0.87 0.00 0.00 54.58 53.94 1chq n ASN 21 Cb 0.75 -2.25 -0.03 0.00 -1.02 0.00 0.00 39.78 37.23 1chq n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1chq s ASP 22 N -4.34 -0.35 0.69 6.41 2.15 -0.98 -4.91 116.67 115.34 1chq s ASP 22 Ca 0.03 -0.27 -0.10 0.00 0.43 0.00 0.00 52.55 52.65 1chq s ASP 22 Cb -0.02 0.55 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1chq s ASP 22 CO 0.95 -0.96 1.06 -1.59 -0.17 0.00 0.00 175.17 174.45 1chq s LYS 23 N -3.81 2.69 0.00 4.34 -2.85 -1.26 -1.14 119.74 117.72 1chq s LYS 23 Ca 0.04 0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.95 1chq s LYS 23 Cb -0.00 -2.08 -0.05 0.00 -2.06 0.00 0.00 37.83 33.64 1chq s LYS 23 CO -0.09 -1.05 1.21 0.42 0.10 0.00 0.00 175.35 175.94 1chq s ILE 24 N -3.29 4.12 -0.02 3.79 1.01 -1.26 -4.61 121.20 120.94 1chq s ILE 24 Ca 0.58 1.50 -0.22 0.00 0.00 0.00 0.00 60.65 62.50 1chq s ILE 24 Cb -0.11 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 38.18 1chq s ILE 24 CO 0.49 0.05 1.09 0.15 0.00 0.00 0.00 174.94 176.72 1chq h PHE 25 N 7.18 0.41 -3.97 3.97 3.57 -0.17 -3.48 116.94 124.46 1chq h PHE 25 Ca -0.38 -0.21 -0.12 0.00 3.53 0.00 0.00 57.97 60.79 1chq h PHE 25 Cb 1.19 -0.05 -0.16 0.00 2.79 0.00 0.00 35.95 39.71 1chq h PHE 25 CO 0.70 1.01 -0.56 -1.54 -2.23 0.00 0.00 178.31 175.69 1chq s SER 26 N -6.47 0.28 -0.05 0.41 1.04 -1.11 -4.99 113.70 102.81 1chq s SER 26 Ca -0.15 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1chq s SER 26 Cb 0.02 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1chq s SER 26 CO 0.77 -0.57 -0.04 -0.47 0.98 0.00 0.00 173.24 173.91 1chq s TYR 27 N -3.24 0.76 -0.15 5.02 5.04 -1.26 -1.70 117.35 121.82 1chq s TYR 27 Ca 0.00 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.43 1chq s TYR 27 Cb 0.03 -0.69 0.02 0.00 0.35 0.00 0.00 41.96 41.67 1chq s TYR 27 CO -0.08 -0.21 -0.16 0.99 -1.34 0.00 0.00 175.55 174.76 1chq s THR 28 N 1.00 1.66 -0.03 4.34 2.01 0.11 -4.97 115.64 119.76 1chq s THR 28 Ca -0.10 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1chq s THR 28 Cb -0.14 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1chq s THR 28 CO -0.00 0.47 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.53 1chq s GLU 29 N 1.36 2.35 -0.09 4.92 2.12 -1.26 0.55 118.70 128.65 1chq s GLU 29 Ca 0.03 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 1chq s GLU 29 Cb -0.13 -2.28 0.04 0.00 0.26 0.00 0.00 34.13 32.02 1chq s GLU 29 CO -0.09 0.60 0.21 0.45 -0.54 0.00 0.00 175.26 175.88 1chq s SER 30 N -0.83 -0.21 0.00 -1.70 0.15 -0.49 -5.02 113.70 105.60 1chq s SER 30 Ca 0.12 0.44 0.13 0.00 0.70 0.00 0.00 55.95 57.33 1chq s SER 30 Cb -0.10 0.33 0.14 0.00 -1.71 0.00 0.00 66.02 64.67 1chq s SER 30 CO 0.01 -0.16 0.96 0.00 1.20 0.00 0.00 173.24 175.25 1chq n LEU 31 N 4.19 2.20 -4.58 3.45 -0.00 -1.26 -2.32 117.00 118.68 1chq n LEU 31 Ca -0.25 -1.14 -0.14 0.00 -0.00 0.00 0.00 56.01 54.48 1chq n LEU 31 Cb 0.53 -0.04 -0.12 0.00 -0.00 0.00 0.00 43.42 43.79 1chq n LEU 31 CO 0.16 0.44 1.07 0.00 -0.00 0.00 0.00 177.39 179.05 1chq n ALA 32 N 0.71 0.19 0.00 1.47 0.00 -1.26 -4.76 120.51 116.86 1chq n ALA 32 Ca 0.08 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1chq n ALA 32 Cb 0.34 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1chq n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1chq n GLY 33 N 6.19 0.00 4.01 0.00 0.00 -1.26 -3.40 105.19 110.73 1chq n GLY 33 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.29 0.00 -1.96 1.61 0.00 -1.26 -4.74 118.16 112.09 1chq n LYS 34 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1chq n LYS 34 Cb 0.00 -2.42 0.03 0.00 -0.00 0.00 0.00 35.03 32.64 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 0.00 5.57 -4.56 -5.58 5.75 -1.22 -4.95 116.55 111.55 1chq n ASP 35 Ca 0.00 -3.76 -0.24 0.00 -0.01 0.00 0.00 54.79 50.78 1chq n ASP 35 Cb 0.00 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.51 1chq n ASP 35 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1chq s GLU 36 N -3.66 2.37 0.15 0.11 8.01 -1.26 -4.50 118.70 119.92 1chq s GLU 36 Ca 0.53 -0.17 0.06 0.00 0.01 0.00 0.00 54.97 55.40 1chq s GLU 36 Cb 0.43 -5.02 -0.04 0.00 -4.31 0.00 0.00 34.13 25.19 1chq s GLU 36 CO -0.03 -3.60 -0.12 0.00 0.01 0.00 0.00 175.26 171.51 1chq s MET 37 N 7.35 1.09 -0.03 1.61 0.23 -0.98 -4.30 119.30 124.27 1chq s MET 37 Ca 0.74 -1.39 0.06 0.00 -1.03 0.00 0.00 55.69 54.07 1chq s MET 37 Cb -0.08 -0.81 -0.01 0.00 -1.53 0.00 0.00 34.83 32.40 1chq s MET 37 CO 0.01 0.13 -0.20 0.00 -2.03 0.00 0.00 175.02 172.93 1chq s ALA 38 N -2.80 1.72 -0.06 3.16 0.00 -1.26 -1.40 121.76 121.12 1chq s ALA 38 Ca 0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1chq s ALA 38 Cb -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1chq s ALA 38 CO 0.03 0.38 0.03 0.42 0.00 0.00 0.00 175.76 176.62 1chq s ILE 39 N -0.29 0.13 -0.02 0.00 1.01 0.19 -2.56 121.20 119.66 1chq s ILE 39 Ca 0.03 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1chq s ILE 39 Cb -0.10 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1chq s ILE 39 CO 0.01 0.18 -0.13 0.27 0.00 0.00 0.00 174.94 175.27 1chq s ILE 40 N 2.07 3.20 0.14 2.92 -4.36 -0.75 0.06 121.20 124.48 1chq s ILE 40 Ca 0.05 -0.80 0.07 0.00 -0.26 0.00 0.00 60.65 59.70 1chq s ILE 40 Cb -0.12 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 1chq s ILE 40 CO -0.04 0.50 -0.15 0.42 0.24 0.00 0.00 174.94 175.90 1chq s THR 41 N -0.84 1.49 0.31 8.37 -4.23 -0.69 -1.29 115.64 118.77 1chq s THR 41 Ca 0.13 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.92 1chq s THR 41 Cb -0.11 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1chq s THR 41 CO 0.03 -0.41 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.30 1chq s PHE 42 N -2.22 2.52 0.50 3.99 0.40 -0.94 0.58 117.98 122.82 1chq s PHE 42 Ca 0.12 -0.37 0.21 0.00 -0.60 0.00 0.00 56.93 56.29 1chq s PHE 42 Cb -0.05 -1.32 1.28 0.00 0.51 0.00 0.00 43.02 43.44 1chq s PHE 42 CO 0.04 0.56 2.00 -0.22 0.70 0.00 0.00 175.22 178.30 1chq h LYS 43 N 1.93 0.12 -0.05 0.44 3.64 -1.91 -1.64 116.57 119.10 1chq h LYS 43 Ca -0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1chq h LYS 43 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1chq h LYS 43 CO 0.64 0.08 0.00 0.27 -2.27 0.00 0.00 179.45 178.17 1chq n ASN 44 N -4.42 0.05 0.00 4.20 6.94 -1.26 -4.85 115.26 115.92 1chq n ASN 44 Ca 0.09 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1chq n ASN 44 Cb 0.51 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1chq n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1chq n GLY 45 N 0.22 3.07 3.64 4.83 0.00 -0.62 -5.04 105.19 111.29 1chq n GLY 45 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.63 0.46 -2.99 4.61 0.00 -1.26 -4.76 120.51 115.95 1chq n ALA 46 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1chq n ALA 46 Cb 0.00 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.17 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 -1.06 0.82 0.21 0.00 2.01 -1.26 -2.21 115.64 114.15 1chq s THR 47 Ca 0.57 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1chq s THR 47 Cb -0.64 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 1chq s THR 47 CO 0.61 0.25 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.40 1chq s PHE 48 N 0.14 1.48 0.14 4.92 0.08 -0.41 -3.63 117.98 120.70 1chq s PHE 48 Ca -0.02 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.15 1chq s PHE 48 Cb -0.08 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 1chq s PHE 48 CO 0.00 0.00 0.04 1.14 -0.10 0.00 0.00 175.22 176.31 1chq s GLN 49 N -3.83 0.95 -0.18 0.44 -2.07 -0.80 -1.81 119.66 112.37 1chq s GLN 49 Ca 0.25 -1.45 -0.02 0.00 -1.82 0.00 0.00 55.36 52.32 1chq s GLN 49 Cb 0.05 0.15 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1chq s GLN 49 CO 0.06 -0.24 -0.09 0.08 -1.32 0.00 0.00 175.29 173.79 1chq s VAL 50 N -3.98 3.11 0.66 3.63 1.01 -1.06 -0.80 120.40 122.97 1chq s VAL 50 Ca 0.24 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1chq s VAL 50 Cb 0.07 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1chq s VAL 50 CO 0.02 0.48 1.23 -0.62 0.00 0.00 0.00 175.10 176.21 1chq n GLU 51 N 4.27 1.00 -2.20 2.72 1.02 -1.26 -4.12 120.64 122.06 1chq n GLU 51 Ca -0.18 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 56.94 1chq n GLU 51 Cb 0.51 -2.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.43 1chq n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1chq s VAL 52 N -1.47 3.16 -1.21 2.62 1.01 -1.26 -4.87 120.40 118.38 1chq s VAL 52 Ca 0.81 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 1chq s VAL 52 Cb -0.38 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1chq s VAL 52 CO 0.42 0.15 1.88 -0.81 0.00 0.00 0.00 175.10 176.74 1chq n PRO 53 N 2.56 2.07 -0.98 2.72 -0.04 -1.26 -4.95 135.00 135.12 1chq n PRO 53 Ca 0.06 -2.68 -0.29 0.00 -0.04 0.00 0.00 63.50 60.55 1chq n PRO 53 Cb 0.43 -3.63 0.17 0.00 -0.04 0.00 0.00 33.50 30.43 1chq n PRO 53 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1chq s GLY 54 N 5.73 1.60 -0.01 0.55 0.00 -1.26 -4.92 107.32 109.01 1chq s GLY 54 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1chq s GLY 54 CO 0.12 0.51 1.53 1.44 0.00 0.00 0.00 173.10 176.70 1chq n SER 55 N -4.22 4.25 0.00 1.64 7.64 -1.26 -1.64 113.62 120.03 1chq n SER 55 Ca 0.06 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1chq n SER 55 Cb 0.55 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1chq n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1chq n GLN 56 N 0.99 0.52 -2.76 1.43 -0.00 -1.26 -5.04 117.38 111.26 1chq n GLN 56 Ca 0.01 -0.14 -0.41 0.00 -0.00 0.00 0.00 57.00 56.46 1chq n GLN 56 Cb 0.51 -0.56 -0.04 0.00 -0.00 0.00 0.00 30.24 30.15 1chq n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1chq s HIS 57 N -0.11 3.78 1.30 2.61 3.76 -0.65 -5.05 115.29 120.93 1chq s HIS 57 Ca 0.00 1.75 -0.19 0.00 -0.15 0.00 0.00 55.06 56.46 1chq s HIS 57 Cb 0.00 -3.03 0.32 0.00 1.11 0.00 0.00 32.58 30.98 1chq s HIS 57 CO 0.00 0.19 1.00 0.42 -0.85 0.00 0.00 174.74 175.50 1chq s ILE 58 N 0.13 1.50 0.06 0.60 1.09 -1.26 -4.79 121.20 118.54 1chq s ILE 58 Ca 0.47 0.00 -0.28 0.00 -1.10 0.00 0.00 60.65 59.73 1chq s ILE 58 Cb -0.23 -2.20 -0.14 0.00 -1.06 0.00 0.00 42.46 38.83 1chq s ILE 58 CO 0.29 0.00 1.43 0.44 -0.10 0.00 0.00 174.94 177.00 1chq h ASP 59 N -2.98 -1.07 0.27 3.58 3.32 -2.01 -3.02 116.42 114.51 1chq h ASP 59 Ca -0.48 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 1chq h ASP 59 Cb 1.33 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 1chq h ASP 59 CO 0.36 -0.54 -0.16 0.77 -1.72 0.00 0.00 179.24 177.96 1chq h SER 60 N -0.82 0.00 -0.36 6.45 4.64 -2.00 -3.10 113.55 118.36 1chq h SER 60 Ca -0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1chq h SER 60 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1chq h SER 60 CO -0.02 0.16 0.22 1.56 -0.87 0.00 0.00 176.83 177.87 1chq h GLN 61 N 0.00 0.49 -0.77 4.77 1.08 -1.88 0.10 115.11 118.90 1chq h GLN 61 Ca -0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1chq h GLN 61 Cb 0.33 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1chq h GLN 61 CO 0.02 0.37 0.37 0.87 -0.95 0.00 0.00 178.83 179.51 1chq h LYS 62 N 0.47 1.11 -0.00 1.46 1.57 -1.45 -0.84 116.57 118.89 1chq h LYS 62 Ca 0.13 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1chq h LYS 62 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1chq h LYS 62 CO -0.02 0.86 -0.69 -0.22 -0.57 0.00 0.00 179.45 178.80 1chq h LYS 63 N 1.10 0.02 -0.00 3.15 3.64 -1.57 -1.25 116.57 121.66 1chq h LYS 63 Ca 0.27 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.45 1chq h LYS 63 Cb 0.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1chq h LYS 63 CO -0.03 0.70 -0.82 0.00 -2.27 0.00 0.00 179.45 177.02 1chq h ALA 64 N 1.30 0.61 -0.27 5.00 0.00 -0.65 -2.42 119.26 122.82 1chq h ALA 64 Ca -0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1chq h ALA 64 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1chq h ALA 64 CO 0.09 0.92 -0.29 0.82 0.00 0.00 0.00 179.25 180.79 1chq h ILE 65 N 0.08 1.28 -0.36 0.00 2.04 -0.94 -1.08 117.51 118.52 1chq h ILE 65 Ca -0.03 -1.37 -0.16 0.00 1.00 0.00 0.00 64.86 64.30 1chq h ILE 65 Cb 1.43 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1chq h ILE 65 CO 0.12 0.44 -0.40 -0.33 0.00 0.00 0.00 178.15 177.97 1chq h GLU 66 N 0.48 0.88 -0.61 2.37 4.39 -1.14 -2.99 114.58 117.95 1chq h GLU 66 Ca 0.06 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1chq h GLU 66 Cb 0.75 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1chq h GLU 66 CO 0.06 1.12 0.34 -0.09 -1.16 0.00 0.00 179.01 179.28 1chq h ARG 67 N 0.72 0.85 -0.50 2.33 2.43 -1.06 -2.26 114.38 116.89 1chq h ARG 67 Ca 0.05 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1chq h ARG 67 Cb 0.99 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1chq h ARG 67 CO 0.10 0.63 0.28 1.98 -1.51 0.00 0.00 179.97 181.45 1chq h MET 68 N 0.83 0.67 -0.07 0.20 4.05 -1.18 -0.80 114.93 118.62 1chq h MET 68 Ca 0.22 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.39 1chq h MET 68 Cb 0.03 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1chq h MET 68 CO -0.04 0.49 -0.74 0.87 0.23 0.00 0.00 176.91 177.73 1chq h LYS 69 N 0.68 0.40 -0.72 0.39 1.57 -1.30 -2.53 116.57 115.06 1chq h LYS 69 Ca 0.18 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1chq h LYS 69 Cb 0.01 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1chq h LYS 69 CO -0.03 0.97 0.25 -0.44 -0.57 0.00 0.00 179.45 179.64 1chq h ASP 70 N 0.27 1.02 -0.68 0.86 3.32 -0.85 -2.27 116.42 118.09 1chq h ASP 70 Ca -0.03 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1chq h ASP 70 Cb 1.32 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1chq h ASP 70 CO 0.13 0.94 0.29 0.74 -1.72 0.00 0.00 179.24 179.62 1chq h THR 71 N 1.05 1.24 -0.35 0.35 2.02 -1.04 -1.54 112.91 114.64 1chq h THR 71 Ca 0.24 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 1chq h THR 71 Cb 0.26 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1chq h THR 71 CO -0.01 0.29 -0.36 -0.07 0.37 0.00 0.00 175.52 175.74 1chq h LEU 72 N 0.96 0.86 0.14 2.58 3.38 -1.38 0.98 115.31 122.83 1chq h LEU 72 Ca 0.23 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1chq h LEU 72 Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1chq h LEU 72 CO -0.02 1.13 -0.07 -0.09 0.09 0.00 0.00 178.44 179.48 1chq h ARG 73 N 0.68 -0.18 -0.85 1.13 2.43 -1.27 -0.16 114.38 116.17 1chq h ARG 73 Ca 0.06 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1chq h ARG 73 Cb 0.92 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1chq h ARG 73 CO 0.08 0.12 0.42 0.97 -1.51 0.00 0.00 179.97 180.06 1chq h ILE 74 N -0.48 1.26 -0.43 1.20 6.09 -1.27 -0.18 117.51 123.69 1chq h ILE 74 Ca -0.02 -0.72 -0.01 0.00 -1.37 0.00 0.00 64.86 62.75 1chq h ILE 74 Cb 0.38 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.81 1chq h ILE 74 CO 0.03 0.31 0.24 0.00 -3.07 0.00 0.00 178.15 175.66 1chq h ALA 75 N 1.24 0.56 0.12 0.18 0.00 -0.74 -1.17 119.26 119.45 1chq h ALA 75 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1chq h ALA 75 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1chq h ALA 75 CO -0.04 0.08 -0.06 -0.92 0.00 0.00 0.00 179.25 178.32 1chq h TYR 76 N 0.57 -0.15 0.00 0.00 3.20 -0.65 -0.22 116.97 119.70 1chq h TYR 76 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1chq h TYR 76 Cb 0.06 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1chq h TYR 76 CO -0.02 -0.01 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.33 1chq h LEU 77 N -0.27 0.00 -2.03 2.82 3.38 -0.91 -2.48 115.31 115.83 1chq h LEU 77 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1chq h LEU 77 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1chq h LEU 77 CO 0.03 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.00 1chq n THR 78 N -4.11 0.19 -3.57 0.22 -2.24 -0.45 -4.97 114.28 99.36 1chq n THR 78 Ca -0.03 -0.58 -0.22 0.00 -2.27 0.00 0.00 64.05 60.96 1chq n THR 78 Cb 0.17 1.26 0.08 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.35 -7.13 -2.67 -0.78 1.02 -0.21 -4.94 120.64 107.29 1chq n GLU 79 Ca 0.16 0.81 -0.40 0.00 -0.02 0.00 0.00 57.16 57.71 1chq n GLU 79 Cb 0.59 -5.81 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 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 -3.35 3.36 -0.08 0.62 0.00 -0.53 -4.87 121.76 116.90 1chq s ALA 80 Ca 0.34 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 1chq s ALA 80 Cb -0.15 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1chq s ALA 80 CO 0.74 0.09 1.09 0.21 0.00 0.00 0.00 175.76 177.90 1chq s LYS 81 N -1.25 4.39 -0.18 0.00 2.20 -1.26 -4.36 119.74 119.28 1chq s LYS 81 Ca 0.42 1.51 -0.20 0.00 -0.36 0.00 0.00 55.97 57.34 1chq s LYS 81 Cb -0.28 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1chq s LYS 81 CO 0.35 -0.37 0.58 0.08 -0.36 0.00 0.00 175.35 175.63 1chq s VAL 82 N 2.08 5.06 0.00 4.02 1.01 -0.29 -3.59 120.40 128.69 1chq s VAL 82 Ca 0.52 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1chq s VAL 82 Cb -0.21 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1chq s VAL 82 CO 0.20 0.16 0.00 1.21 0.00 0.00 0.00 175.10 176.67 1chq n GLU 83 N 4.77 0.00 -4.31 2.72 2.13 0.28 -0.74 120.64 125.49 1chq n GLU 83 Ca -0.03 0.36 -0.16 0.00 0.66 0.00 0.00 57.16 57.98 1chq n GLU 83 Cb 0.50 -0.85 -0.10 0.00 0.27 0.00 0.00 31.44 31.26 1chq n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1chq s LYS 84 N -0.72 1.25 -0.02 5.31 1.02 -1.20 -0.49 119.74 124.88 1chq s LYS 84 Ca 0.00 -1.60 0.02 0.00 0.02 0.00 0.00 55.97 54.41 1chq s LYS 84 Cb 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.67 1chq s LYS 84 CO 0.00 -0.03 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.81 1chq s LEU 85 N -3.26 1.78 -0.42 3.17 1.43 -0.26 -2.18 118.68 118.95 1chq s LEU 85 Ca 0.24 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1chq s LEU 85 Cb 0.04 -0.50 0.08 0.00 0.03 0.00 0.00 46.19 45.84 1chq s LEU 85 CO 0.06 0.06 0.27 0.00 0.23 0.00 0.00 176.35 176.96 1chq s VAL 87 N 1.44 3.07 -0.28 0.00 -7.23 -0.79 -0.11 120.40 116.51 1chq s VAL 87 Ca 0.03 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.01 1chq s VAL 87 Cb -0.23 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1chq s VAL 87 CO 0.02 -0.33 0.61 0.26 -0.31 0.00 0.00 175.10 175.36 1chq s TRP 88 N -2.41 3.25 -1.12 2.82 0.51 -0.12 -1.61 118.94 120.27 1chq s TRP 88 Ca 0.32 0.69 0.03 0.00 -2.12 0.00 0.00 56.10 55.02 1chq s TRP 88 Cb -0.05 -2.88 0.14 0.00 -0.81 0.00 0.00 33.47 29.87 1chq s TRP 88 CO 0.19 -0.38 0.80 0.27 -0.51 0.00 0.00 176.95 177.32 1chq n ASN 89 N 5.75 1.57 -1.46 2.95 0.23 -0.79 -3.37 115.26 120.14 1chq n ASN 89 Ca -0.01 -2.13 -0.09 0.00 -0.53 0.00 0.00 54.58 51.82 1chq n ASN 89 Cb 0.49 -0.43 0.20 0.00 -2.08 0.00 0.00 39.78 37.96 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 0.06 2.91 -3.91 0.53 6.94 -1.26 -4.99 115.26 115.53 1chq n ASN 90 Ca 0.05 -3.70 -0.08 0.00 -0.02 0.00 0.00 54.58 50.82 1chq n ASN 90 Cb 0.35 -0.69 -0.08 0.00 -2.36 0.00 0.00 39.78 37.00 1chq n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1chq s LYS 91 N -3.24 0.80 -0.27 -3.83 2.47 -1.26 -5.07 119.74 109.35 1chq s LYS 91 Ca 0.48 -1.02 0.02 0.00 -1.56 0.00 0.00 55.97 53.89 1chq s LYS 91 Cb 0.42 0.32 0.07 0.00 -1.46 0.00 0.00 37.83 37.18 1chq s LYS 91 CO 0.03 -0.24 -0.03 0.99 0.16 0.00 0.00 175.35 176.27 1chq s THR 92 N -3.88 1.75 0.95 3.43 2.01 -1.26 -3.01 115.64 115.64 1chq s THR 92 Ca 0.06 -1.56 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 1chq s THR 92 Cb 0.05 -2.07 0.16 0.00 0.01 0.00 0.00 72.50 70.65 1chq s THR 92 CO -0.11 -0.25 1.12 -2.84 -0.69 0.00 0.00 174.62 171.86 1chq s PRO 93 N 1.25 0.84 0.02 4.92 0.02 -1.26 -5.05 135.00 135.74 1chq s PRO 93 Ca -0.01 0.35 -0.32 0.00 0.02 0.00 0.00 61.00 61.04 1chq s PRO 93 Cb -0.19 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 1chq s PRO 93 CO -0.08 -2.41 1.88 0.72 -0.33 0.00 0.00 177.00 176.77 1chq n HIS 94 N -3.93 2.45 -2.34 6.54 8.25 -1.16 -4.50 115.22 120.53 1chq n HIS 94 Ca 0.06 -0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 1chq n HIS 94 Cb 0.59 -2.72 -0.03 0.00 1.12 0.00 0.00 29.99 28.95 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 3.68 3.46 0.04 -1.41 0.00 -1.22 -1.90 121.76 124.41 1chq s ALA 95 Ca 0.88 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.46 1chq s ALA 95 Cb -0.56 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 1chq s ALA 95 CO 0.44 -0.51 1.26 0.42 0.00 0.00 0.00 175.76 177.37 1chq s ILE 96 N 1.15 3.91 -0.15 0.00 1.01 0.02 -0.94 121.20 126.20 1chq s ILE 96 Ca 0.61 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.68 1chq s ILE 96 Cb -0.32 -3.86 -0.15 0.00 0.01 0.00 0.00 42.46 38.14 1chq s ILE 96 CO 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 1chq n ALA 97 N 4.43 1.64 -3.00 9.38 0.00 0.84 -4.84 120.51 128.95 1chq n ALA 97 Ca 0.10 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1chq n ALA 97 Cb 0.45 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.34 -0.78 0.01 0.00 0.00 -0.98 -4.99 121.76 112.68 1chq s ALA 98 Ca -0.14 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1chq s ALA 98 Cb 0.05 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1chq s ALA 98 CO 0.51 -0.48 -0.03 -1.50 0.00 0.00 0.00 175.76 174.26 1chq s ILE 99 N -2.93 0.17 -0.01 0.00 2.07 -1.26 -1.98 121.20 117.26 1chq s ILE 99 Ca -0.02 -0.42 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 1chq s ILE 99 Cb 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 1chq s ILE 99 CO -0.06 -0.17 -0.15 -0.94 -1.91 0.00 0.00 174.94 171.72 1chq s SER 100 N -0.62 1.73 -0.02 4.50 1.04 -0.93 -5.01 113.70 114.39 1chq s SER 100 Ca -0.05 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1chq s SER 100 Cb -0.04 -0.18 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1chq s SER 100 CO -0.00 0.17 -0.15 -0.04 0.98 0.00 0.00 173.24 174.19 1chq s MET 101 N -0.43 1.40 -0.06 4.02 -1.94 -1.26 -0.56 119.30 120.47 1chq s MET 101 Ca 0.05 -0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 53.37 1chq s MET 101 Cb -0.06 -1.30 0.02 0.00 2.01 0.00 0.00 34.83 35.51 1chq s MET 101 CO -0.00 0.28 0.29 0.00 -0.01 0.00 0.00 175.02 175.58 1chq s ALA 102 N -0.17 -0.73 -2.00 3.03 0.00 -1.24 -4.88 121.76 115.78 1chq s ALA 102 Ca 0.02 0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.63 1chq s ALA 102 Cb -0.08 -0.21 0.60 0.00 0.00 0.00 0.00 23.12 23.44 1chq s ALA 102 CO 0.00 -0.20 1.05 0.09 0.00 0.00 0.00 175.76 176.70