#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chb s PRO 2 N 0.00 3.57 0.00 -0.78 0.04 -1.26 -4.93 135.00 131.64 2chb s PRO 2 Ca 0.00 2.11 0.24 0.00 0.04 0.00 0.00 61.00 63.39 2chb s PRO 2 Cb 0.00 -2.46 0.27 0.00 0.04 0.00 0.00 34.50 32.35 2chb s PRO 2 CO 0.00 -0.81 1.28 1.04 0.04 0.00 0.00 177.00 178.55 2chb n GLN 3 N -0.51 1.54 -3.86 4.56 6.02 -1.26 -4.95 117.38 118.92 2chb n GLN 3 Ca 0.07 -1.21 -0.08 0.00 -0.01 0.00 0.00 57.00 55.78 2chb n GLN 3 Cb 0.45 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 2chb n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2chb s ASN 4 N -2.29 -0.11 0.25 1.08 4.22 -1.26 -5.07 114.94 111.76 2chb s ASN 4 Ca 0.24 -0.86 -0.03 0.00 -2.14 0.00 0.00 52.86 50.07 2chb s ASN 4 Cb 0.19 0.76 0.30 0.00 1.28 0.00 0.00 41.25 43.79 2chb s ASN 4 CO 0.46 -1.46 1.77 -0.29 -2.04 0.00 0.00 177.10 175.54 2chb h ILE 5 N 2.02 1.24 -0.26 0.54 2.10 -1.96 -2.06 117.51 119.14 2chb h ILE 5 Ca -0.25 -0.93 -0.04 0.00 1.08 0.00 0.00 64.86 64.72 2chb h ILE 5 Cb 1.25 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 2chb h ILE 5 CO 0.31 0.34 0.00 0.71 -1.08 0.00 0.00 178.15 178.44 2chb h THR 6 N 0.85 1.25 -0.30 2.19 1.35 -1.98 0.17 112.91 116.43 2chb h THR 6 Ca 0.18 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2chb h THR 6 Cb 0.38 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 2chb h THR 6 CO 0.01 0.28 0.20 0.44 -0.25 0.00 0.00 175.52 176.20 2chb h ASP 7 N 0.23 0.35 -0.50 5.36 3.32 -1.97 -1.06 116.42 122.16 2chb h ASP 7 Ca 0.07 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2chb h ASP 7 Cb 0.41 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2chb h ASP 7 CO 0.01 0.25 0.28 0.25 -1.72 0.00 0.00 179.24 178.32 2chb h LEU 8 N 0.41 0.44 -1.49 1.55 6.46 -1.26 -1.94 115.31 119.48 2chb h LEU 8 Ca 0.11 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2chb h LEU 8 Cb -0.05 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2chb h LEU 8 CO -0.02 0.31 0.09 0.00 -0.62 0.00 0.00 178.44 178.20 2chb n ALA 10 N -2.48 1.61 1.23 0.00 0.00 -0.44 -2.82 120.51 117.61 2chb n ALA 10 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.48 2chb n ALA 10 Cb 0.15 -1.21 0.28 0.00 0.00 0.00 0.00 19.45 18.67 2chb n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2chb n GLU 11 N -1.49 1.63 -4.11 0.00 1.02 -0.59 -4.86 120.64 112.23 2chb n GLU 11 Ca 0.03 -0.96 -0.14 0.00 -0.02 0.00 0.00 57.16 56.07 2chb n GLU 11 Cb 0.15 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 2chb n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2chb s TYR 12 N -1.73 0.85 0.42 -0.32 1.51 -1.13 -5.15 117.35 111.82 2chb s TYR 12 Ca 0.26 -0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 55.66 2chb s TYR 12 Cb 0.14 -0.49 -0.06 0.00 -0.11 0.00 0.00 41.96 41.43 2chb s TYR 12 CO 0.20 -0.05 0.79 -1.01 -1.11 0.00 0.00 175.55 174.36 2chb s HIS 13 N -1.76 3.48 -1.26 2.71 3.76 -1.26 -4.24 115.29 116.72 2chb s HIS 13 Ca -0.04 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.87 2chb s HIS 13 Cb -0.07 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.17 2chb s HIS 13 CO 0.00 -0.15 0.57 0.09 -0.85 0.00 0.00 174.74 174.40 2chb n ASN 14 N -1.46 -5.37 -4.37 1.40 5.03 -1.26 -4.94 115.26 104.29 2chb n ASN 14 Ca 0.02 -0.27 -0.22 0.00 0.87 0.00 0.00 54.58 54.99 2chb n ASN 14 Cb 0.54 -4.18 -0.11 0.00 -1.02 0.00 0.00 39.78 35.02 2chb n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2chb s THR 15 N -3.09 1.97 -0.04 3.41 -4.23 -1.26 -0.32 115.64 112.08 2chb s THR 15 Ca 0.28 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 2chb s THR 15 Cb -0.12 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.73 2chb s THR 15 CO 0.35 -0.40 0.43 0.00 -0.54 0.00 0.00 174.62 174.45 2chb s GLN 16 N -3.19 0.77 -0.14 3.99 -2.07 -0.14 -4.87 119.66 114.01 2chb s GLN 16 Ca 0.21 -0.00 -0.13 0.00 -1.82 0.00 0.00 55.36 53.62 2chb s GLN 16 Cb -0.04 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2chb s GLN 16 CO 0.09 -0.22 0.28 0.42 -1.32 0.00 0.00 175.29 174.54 2chb s ILE 17 N -1.17 5.30 -0.16 3.63 -1.09 -1.26 -1.31 121.20 125.13 2chb s ILE 17 Ca -0.12 0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 2chb s ILE 17 Cb -0.04 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2chb s ILE 17 CO 0.06 0.45 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.04 2chb s HIS 18 N 0.06 2.51 -0.39 3.97 3.76 -0.62 -4.97 115.29 119.61 2chb s HIS 18 Ca 0.17 -1.44 -0.20 0.00 -0.15 0.00 0.00 55.06 53.44 2chb s HIS 18 Cb -0.13 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 31.79 2chb s HIS 18 CO 0.05 -0.73 0.59 0.99 -0.85 0.00 0.00 174.74 174.79 2chb s THR 19 N 1.33 4.91 -0.25 1.30 2.01 -1.26 -1.46 115.64 122.22 2chb s THR 19 Ca 0.04 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 2chb s THR 19 Cb -0.13 -4.09 -0.16 0.00 0.01 0.00 0.00 72.50 68.13 2chb s THR 19 CO -0.11 -0.40 -0.15 0.18 -0.69 0.00 0.00 174.62 173.44 2chb n LEU 20 N 6.02 2.28 -4.10 4.42 7.99 0.11 -4.99 117.00 128.74 2chb n LEU 20 Ca -0.03 0.21 -0.29 0.00 -0.01 0.00 0.00 56.01 55.90 2chb n LEU 20 Cb 0.48 -0.90 -0.04 0.00 -0.11 0.00 0.00 43.42 42.85 2chb n LEU 20 CO 0.49 0.65 -0.26 0.59 -1.51 0.00 0.00 177.39 177.35 2chb n ASN 21 N -3.94 -0.47 -3.54 -1.43 3.02 0.78 -4.94 115.26 104.74 2chb n ASN 21 Ca -0.46 -1.08 -0.12 0.00 -0.03 0.00 0.00 54.58 52.89 2chb n ASN 21 Cb 0.90 -2.60 -0.04 0.00 -0.61 0.00 0.00 39.78 37.43 2chb n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2chb s ASP 22 N -4.19 -0.40 0.48 6.41 2.15 -1.02 -4.88 116.67 115.22 2chb s ASP 22 Ca 0.13 -0.10 -0.08 0.00 0.43 0.00 0.00 52.55 52.93 2chb s ASP 22 Cb -0.07 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 43.02 2chb s ASP 22 CO 0.93 -0.87 0.82 -1.59 -0.17 0.00 0.00 175.17 174.29 2chb s LYS 23 N -3.52 3.64 0.24 4.34 0.00 -1.26 -1.18 119.74 122.00 2chb s LYS 23 Ca 0.01 0.40 -0.31 0.00 0.00 0.00 0.00 55.97 56.07 2chb s LYS 23 Cb 0.00 -2.33 -0.11 0.00 0.00 0.00 0.00 37.83 35.40 2chb s LYS 23 CO -0.10 -0.20 1.56 0.42 0.00 0.00 0.00 175.35 177.02 2chb s ILE 24 N -2.68 2.37 -0.05 3.79 1.01 -1.26 -4.69 121.20 119.68 2chb s ILE 24 Ca 0.50 0.29 -0.14 0.00 0.00 0.00 0.00 60.65 61.30 2chb s ILE 24 Cb -0.10 -3.19 -0.30 0.00 0.01 0.00 0.00 42.46 38.88 2chb s ILE 24 CO 0.41 0.04 0.70 0.15 0.00 0.00 0.00 174.94 176.24 2chb h PHE 25 N 5.62 0.66 -3.34 3.97 3.57 -0.48 -3.48 116.94 123.46 2chb h PHE 25 Ca -0.45 -0.48 -0.14 0.00 3.53 0.00 0.00 57.97 60.43 2chb h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 2chb h PHE 25 CO 0.61 1.59 -0.41 -1.54 -2.23 0.00 0.00 178.31 176.33 2chb s SER 26 N -7.23 -0.05 -0.08 0.41 1.04 -1.10 -4.98 113.70 101.72 2chb s SER 26 Ca -0.16 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2chb s SER 26 Cb 0.04 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2chb s SER 26 CO 0.84 -0.39 -0.16 -0.47 0.98 0.00 0.00 173.24 174.03 2chb s TYR 27 N -1.35 1.85 -0.05 5.02 5.04 -1.26 -2.06 117.35 124.54 2chb s TYR 27 Ca -0.14 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 53.81 2chb s TYR 27 Cb -0.07 -1.30 -0.00 0.00 0.35 0.00 0.00 41.96 40.94 2chb s TYR 27 CO 0.03 -0.33 -0.17 0.99 -1.34 0.00 0.00 175.55 174.73 2chb s THR 28 N 0.56 1.42 -0.01 4.34 2.01 0.07 -4.99 115.64 119.05 2chb s THR 28 Ca -0.16 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2chb s THR 28 Cb -0.17 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2chb s THR 28 CO 0.05 0.41 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.60 2chb s GLU 29 N 0.11 0.77 -0.02 4.92 2.12 -1.26 -0.96 118.70 124.38 2chb s GLU 29 Ca -0.05 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2chb s GLU 29 Cb -0.12 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.53 2chb s GLU 29 CO 0.03 0.19 -0.09 0.45 -0.54 0.00 0.00 175.26 175.29 2chb s SER 30 N -0.16 1.15 0.00 -1.70 0.15 -0.85 -5.00 113.70 107.29 2chb s SER 30 Ca 0.03 -0.18 0.15 0.00 0.70 0.00 0.00 55.95 56.65 2chb s SER 30 Cb -0.04 -0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.08 2chb s SER 30 CO -0.00 0.07 0.91 0.00 1.20 0.00 0.00 173.24 175.42 2chb n LEU 31 N 3.20 2.00 -4.67 3.45 -0.00 -1.26 -3.39 117.00 116.33 2chb n LEU 31 Ca -0.17 -0.92 -0.45 0.00 -0.00 0.00 0.00 56.01 54.46 2chb n LEU 31 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.93 2chb n LEU 31 CO 0.25 0.37 1.17 0.00 -0.00 0.00 0.00 177.39 179.17 2chb n ALA 32 N 0.52 1.43 -1.69 1.47 0.00 -1.26 -4.80 120.51 116.19 2chb n ALA 32 Ca 0.08 0.43 -0.60 0.00 0.00 0.00 0.00 53.44 53.35 2chb n ALA 32 Cb 0.35 -2.35 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 2chb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2chb n GLY 33 N 3.15 0.51 2.88 0.00 0.00 -1.26 -0.43 105.19 110.04 2chb n GLY 33 Ca 0.16 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.08 2chb n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2chb n LYS 34 N 4.25 -0.60 -2.62 1.61 5.02 -1.26 -4.83 118.16 119.72 2chb n LYS 34 Ca 0.26 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.59 2chb n LYS 34 Cb 0.08 -3.78 0.03 0.00 -0.02 0.00 0.00 35.03 31.33 2chb n LYS 34 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2chb n ARG 35 N -1.42 1.86 -3.02 1.97 0.63 0.43 -4.99 116.66 112.12 2chb n ARG 35 Ca 0.00 -3.60 -0.44 0.00 -0.92 0.00 0.00 57.85 52.89 2chb n ARG 35 Cb 0.15 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 2chb n ARG 35 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2chb s GLU 36 N -3.39 3.80 0.33 -0.14 8.01 -1.20 -4.20 118.70 121.92 2chb s GLU 36 Ca 0.32 -2.23 -0.01 0.00 0.01 0.00 0.00 54.97 53.07 2chb s GLU 36 Cb 0.41 -4.86 -0.00 0.00 -4.31 0.00 0.00 34.13 25.37 2chb s GLU 36 CO -0.02 -1.66 0.43 0.00 0.01 0.00 0.00 175.26 174.02 2chb s MET 37 N 1.67 1.85 0.02 1.61 0.23 -1.22 -4.32 119.30 119.15 2chb s MET 37 Ca 0.33 -1.78 0.04 0.00 -1.03 0.00 0.00 55.69 53.25 2chb s MET 37 Cb -0.05 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2chb s MET 37 CO -0.06 -0.75 -0.12 0.00 -2.03 0.00 0.00 175.02 172.06 2chb s ALA 38 N -3.19 0.95 -0.04 3.16 0.00 -1.23 -2.02 121.76 119.40 2chb s ALA 38 Ca 0.32 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2chb s ALA 38 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2chb s ALA 38 CO 0.21 0.18 -0.11 0.42 0.00 0.00 0.00 175.76 176.45 2chb s ILE 39 N -0.71 0.99 0.14 0.00 1.01 -0.14 -1.57 121.20 120.93 2chb s ILE 39 Ca 0.01 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.30 2chb s ILE 39 Cb -0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2chb s ILE 39 CO 0.01 0.31 -0.22 0.27 0.00 0.00 0.00 174.94 175.31 2chb s ILE 40 N 0.34 1.95 0.09 2.92 -4.36 0.09 -0.75 121.20 121.49 2chb s ILE 40 Ca -0.07 -1.77 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 2chb s ILE 40 Cb -0.12 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 2chb s ILE 40 CO 0.02 -0.11 -0.06 0.42 0.24 0.00 0.00 174.94 175.44 2chb s THR 41 N -1.47 0.66 0.27 8.37 -4.23 -0.88 -0.75 115.64 117.62 2chb s THR 41 Ca 0.13 -1.85 0.11 0.00 -1.18 0.00 0.00 61.69 58.90 2chb s THR 41 Cb -0.08 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 2chb s THR 41 CO 0.06 -0.84 -0.12 -0.36 -0.54 0.00 0.00 174.62 172.83 2chb s PHE 42 N -3.44 2.46 0.58 3.99 0.40 0.17 0.30 117.98 122.44 2chb s PHE 42 Ca 0.10 -0.29 0.28 0.00 -0.60 0.00 0.00 56.93 56.42 2chb s PHE 42 Cb 0.04 -1.08 1.53 0.00 0.51 0.00 0.00 43.02 44.02 2chb s PHE 42 CO -0.05 0.68 2.00 1.57 0.70 0.00 0.00 175.22 180.13 2chb h LYS 43 N 2.10 0.00 0.00 0.44 2.10 -1.89 0.58 116.57 119.91 2chb h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2chb h LYS 43 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2chb h LYS 43 CO 0.60 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.32 2chb n ASN 44 N -3.90 0.00 0.00 7.07 6.94 -1.26 -4.82 115.26 119.29 2chb n ASN 44 Ca 0.06 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.27 2chb n ASN 44 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2chb n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2chb n GLY 45 N 0.39 1.44 3.70 4.83 0.00 0.20 -5.02 105.19 110.72 2chb n GLY 45 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2chb n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chb n ALA 46 N -1.08 2.24 -3.57 4.61 0.00 -1.24 -4.76 120.51 116.71 2chb n ALA 46 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.57 2chb n ALA 46 Cb 0.00 -2.48 -0.17 0.00 0.00 0.00 0.00 19.45 16.80 2chb n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2chb s THR 47 N 1.42 1.30 0.07 0.00 2.01 -1.26 -0.66 115.64 118.51 2chb s THR 47 Ca 0.78 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.27 2chb s THR 47 Cb -0.56 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2chb s THR 47 CO 0.35 0.40 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.21 2chb s PHE 48 N 0.88 0.97 0.30 4.92 0.08 0.07 -4.28 117.98 120.92 2chb s PHE 48 Ca -0.10 -0.52 0.11 0.00 0.12 0.00 0.00 56.93 56.54 2chb s PHE 48 Cb -0.15 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.69 2chb s PHE 48 CO 0.01 -0.01 -0.16 1.14 -0.10 0.00 0.00 175.22 176.09 2chb s GLN 49 N -1.92 1.75 -0.26 0.44 -2.07 -0.45 -0.73 119.66 116.42 2chb s GLN 49 Ca -0.03 -1.79 -0.04 0.00 -1.82 0.00 0.00 55.36 51.68 2chb s GLN 49 Cb -0.08 -1.78 0.02 0.00 -1.09 0.00 0.00 33.01 30.08 2chb s GLN 49 CO 0.01 0.28 -0.01 0.08 -1.32 0.00 0.00 175.29 174.34 2chb s VAL 50 N -2.52 3.34 0.58 3.63 1.01 -0.61 -0.91 120.40 124.92 2chb s VAL 50 Ca 0.31 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2chb s VAL 50 Cb -0.03 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2chb s VAL 50 CO 0.16 0.17 1.25 -1.61 0.00 0.00 0.00 175.10 175.07 2chb s GLU 51 N 1.41 2.99 0.27 2.72 2.02 -1.26 -3.57 118.70 123.27 2chb s GLU 51 Ca 0.02 1.96 -0.30 0.00 0.02 0.00 0.00 54.97 56.67 2chb s GLU 51 Cb -0.17 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.94 2chb s GLU 51 CO -0.02 -1.22 1.39 0.08 0.02 0.00 0.00 175.26 175.51 2chb s VAL 52 N -1.48 2.72 0.32 2.63 1.01 -1.26 -4.92 120.40 119.42 2chb s VAL 52 Ca 0.76 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 2chb s VAL 52 Cb -0.34 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 2chb s VAL 52 CO 0.38 0.12 1.40 -2.16 0.00 0.00 0.00 175.10 174.83 2chb s PRO 53 N -0.78 4.26 0.00 2.72 0.04 -1.26 -4.97 135.00 135.01 2chb s PRO 53 Ca 0.56 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2chb s PRO 53 Cb -0.41 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2chb s PRO 53 CO 0.46 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.55 2chb n GLY 54 N 1.15 4.01 0.27 0.56 0.00 -1.26 -5.04 105.19 104.88 2chb n GLY 54 Ca 0.02 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.07 2chb n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2chb h SER 55 N 0.00 0.00 0.78 1.61 4.64 -2.03 -2.39 113.55 116.16 2chb h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2chb h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2chb h SER 55 CO 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2chb n GLN 56 N -4.05 0.19 -3.63 4.77 3.00 -1.26 -4.77 117.38 111.63 2chb n GLN 56 Ca -0.03 0.40 -0.37 0.00 -0.01 0.00 0.00 57.00 57.00 2chb n GLN 56 Cb 0.13 -1.85 -0.07 0.00 0.00 0.00 0.00 30.24 28.45 2chb n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2chb s HIS 57 N -3.29 3.55 0.64 1.08 3.76 -0.90 -5.09 115.29 115.04 2chb s HIS 57 Ca 0.05 0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 55.52 2chb s HIS 57 Cb 0.10 -2.22 0.02 0.00 1.11 0.00 0.00 32.58 31.59 2chb s HIS 57 CO 0.40 0.45 0.97 0.96 -0.85 0.00 0.00 174.74 176.68 2chb s ILE 58 N -0.24 3.36 0.24 0.60 -4.36 -1.26 -4.90 121.20 114.64 2chb s ILE 58 Ca 0.17 0.07 -0.05 0.00 -0.26 0.00 0.00 60.65 60.58 2chb s ILE 58 Cb -0.13 -3.38 0.20 0.00 1.25 0.00 0.00 42.46 40.40 2chb s ILE 58 CO 0.05 -0.42 1.83 0.44 0.24 0.00 0.00 174.94 177.08 2chb h ASP 59 N -0.38 0.73 0.35 4.36 3.32 -1.98 -1.93 116.42 120.88 2chb h ASP 59 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2chb h ASP 59 Cb 1.27 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2chb h ASP 59 CO 0.62 0.45 0.00 0.77 -1.72 0.00 0.00 179.24 179.35 2chb h SER 60 N 0.86 0.00 1.34 6.45 4.64 -2.05 -2.09 113.55 122.69 2chb h SER 60 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2chb h SER 60 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2chb h SER 60 CO -0.20 0.00 -0.39 1.56 -0.87 0.00 0.00 176.83 176.93 2chb h GLN 61 N 0.00 0.00 -0.56 4.77 4.20 -1.72 -3.39 115.11 118.41 2chb h GLN 61 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2chb h GLN 61 Cb 0.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2chb h GLN 61 CO 0.00 0.00 0.33 0.87 -0.67 0.00 0.00 178.83 179.36 2chb h LYS 62 N 0.00 0.62 0.00 1.46 1.57 -1.40 -0.42 116.57 118.40 2chb h LYS 62 Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2chb h LYS 62 Cb 0.86 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2chb h LYS 62 CO 0.00 0.41 -0.25 1.57 -0.57 0.00 0.00 179.45 180.61 2chb h LYS 63 N 0.64 0.00 -0.55 3.15 5.09 -1.78 -3.05 116.57 120.06 2chb h LYS 63 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.86 2chb h LYS 63 Cb 0.06 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.37 2chb h LYS 63 CO -0.12 0.25 -0.08 0.00 -2.09 0.00 0.00 179.45 177.41 2chb h ALA 64 N 1.75 0.81 -0.36 0.07 0.00 -1.60 0.50 119.26 120.42 2chb h ALA 64 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2chb h ALA 64 Cb 1.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2chb h ALA 64 CO 0.03 0.67 0.15 0.82 0.00 0.00 0.00 179.25 180.92 2chb h ILE 65 N 0.92 1.18 -0.59 0.00 2.04 -1.05 -0.35 117.51 119.66 2chb h ILE 65 Ca 0.15 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 2chb h ILE 65 Cb 0.64 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2chb h ILE 65 CO 0.04 0.19 0.13 -0.33 0.00 0.00 0.00 178.15 178.19 2chb h GLU 66 N 0.44 0.96 -0.48 2.37 4.39 -1.38 -2.79 114.58 118.10 2chb h GLU 66 Ca 0.12 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2chb h GLU 66 Cb 0.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2chb h GLU 66 CO -0.01 0.89 0.28 -0.09 -1.16 0.00 0.00 179.01 178.92 2chb h ARG 67 N 0.87 0.65 -0.85 2.33 2.43 -0.64 -2.44 114.38 116.73 2chb h ARG 67 Ca 0.18 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2chb h ARG 67 Cb 0.37 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2chb h ARG 67 CO 0.01 0.48 0.55 1.98 -1.51 0.00 0.00 179.97 181.48 2chb h MET 68 N 0.63 0.92 -0.22 0.20 4.05 -0.91 0.91 114.93 120.51 2chb h MET 68 Ca 0.17 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 2chb h MET 68 Cb 0.00 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 2chb h MET 68 CO -0.03 0.61 -0.34 0.87 0.23 0.00 0.00 176.91 178.26 2chb h LYS 69 N 0.95 0.47 -0.48 0.39 1.57 -1.20 -0.28 116.57 118.00 2chb h LYS 69 Ca 0.36 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2chb h LYS 69 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2chb h LYS 69 CO -0.13 0.75 0.01 -0.44 -0.57 0.00 0.00 179.45 179.07 2chb h ASP 70 N 0.40 0.83 -0.13 0.86 3.32 -0.68 -2.14 116.42 118.88 2chb h ASP 70 Ca 0.05 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2chb h ASP 70 Cb 0.78 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2chb h ASP 70 CO 0.06 0.93 0.06 0.74 -1.72 0.00 0.00 179.24 179.32 2chb h THR 71 N 0.71 1.12 -0.81 0.35 2.02 -0.56 -0.89 112.91 114.84 2chb h THR 71 Ca 0.14 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2chb h THR 71 Cb 0.50 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2chb h THR 71 CO 0.02 0.11 0.45 -0.07 0.37 0.00 0.00 175.52 176.41 2chb h LEU 72 N 0.09 1.01 -0.19 2.58 3.38 -1.03 0.94 115.31 122.08 2chb h LEU 72 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2chb h LEU 72 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2chb h LEU 72 CO -0.01 0.81 0.09 -0.09 0.09 0.00 0.00 178.44 179.33 2chb h ARG 73 N 1.13 0.28 -0.16 1.13 2.43 -1.19 0.13 114.38 118.14 2chb h ARG 73 Ca 0.29 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 2chb h ARG 73 Cb 0.02 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2chb h ARG 73 CO -0.05 0.32 -0.50 0.97 -1.51 0.00 0.00 179.97 179.20 2chb h ILE 74 N 0.18 1.33 -0.31 1.20 6.09 -0.87 -1.27 117.51 123.86 2chb h ILE 74 Ca 0.07 -1.73 -0.04 0.00 -1.37 0.00 0.00 64.86 61.79 2chb h ILE 74 Cb 0.13 1.75 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 2chb h ILE 74 CO -0.01 0.53 0.03 0.00 -3.07 0.00 0.00 178.15 175.63 2chb h ALA 75 N 1.13 0.41 0.21 0.18 0.00 -0.60 -1.07 119.26 119.52 2chb h ALA 75 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2chb h ALA 75 Cb 0.99 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2chb h ALA 75 CO 0.09 0.12 -0.12 -0.92 0.00 0.00 0.00 179.25 178.42 2chb h TYR 76 N 0.33 -0.31 -0.41 0.00 3.20 -0.55 -0.76 116.97 118.46 2chb h TYR 76 Ca 0.09 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2chb h TYR 76 Cb 0.38 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2chb h TYR 76 CO 0.03 -0.19 0.16 -0.07 -1.64 0.00 0.00 178.16 176.45 2chb h LEU 77 N -0.31 0.53 -0.73 2.82 3.38 -1.11 -2.56 115.31 117.33 2chb h LEU 77 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2chb h LEU 77 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2chb h LEU 77 CO 0.03 0.49 -0.16 0.35 0.09 0.00 0.00 178.44 179.23 2chb n THR 78 N -4.37 0.00 -3.23 0.22 -2.24 -0.42 -4.95 114.28 99.30 2chb n THR 78 Ca 0.03 -0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 2chb n THR 78 Cb 0.15 0.50 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 2chb n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2chb n GLU 79 N -0.26 -5.72 -2.24 -0.78 1.02 -0.37 -4.94 120.64 107.35 2chb n GLU 79 Ca 0.15 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.73 2chb n GLU 79 Cb 0.36 -5.78 -0.03 0.00 -0.02 0.00 0.00 31.44 25.98 2chb n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2chb s ALA 80 N -3.21 3.52 -0.01 0.62 0.00 -0.74 -4.81 121.76 117.12 2chb s ALA 80 Ca 0.40 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 2chb s ALA 80 Cb -0.18 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2chb s ALA 80 CO 0.49 -0.53 1.32 0.21 0.00 0.00 0.00 175.76 177.26 2chb s LYS 81 N 0.24 4.31 -0.21 0.00 2.47 -1.26 -4.38 119.74 120.91 2chb s LYS 81 Ca 0.58 1.86 -0.13 0.00 -1.56 0.00 0.00 55.97 56.72 2chb s LYS 81 Cb -0.36 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.42 2chb s LYS 81 CO 0.36 -0.51 0.29 0.54 0.16 0.00 0.00 175.35 176.18 2chb s VAL 82 N 2.23 5.28 -0.00 4.02 0.11 -0.32 -3.74 120.40 127.98 2chb s VAL 82 Ca 0.61 0.48 -0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2chb s VAL 82 Cb -0.29 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 30.94 2chb s VAL 82 CO 0.25 0.31 0.31 -0.08 -3.33 0.00 0.00 175.10 172.57 2chb h GLU 83 N 7.29 -0.00 -4.94 1.54 4.81 -1.26 0.23 114.58 122.26 2chb h GLU 83 Ca -0.38 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 2chb h GLU 83 Cb 1.16 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 2chb h GLU 83 CO 0.70 -0.00 -0.71 0.15 -0.73 0.00 0.00 179.01 178.42 2chb s LYS 84 N -1.63 0.96 -0.02 1.92 1.02 -1.11 0.09 119.74 120.97 2chb s LYS 84 Ca -0.00 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 54.64 2chb s LYS 84 Cb 0.00 -0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 36.82 2chb s LYS 84 CO 0.00 0.05 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.88 2chb s LEU 85 N -3.02 1.87 -0.24 3.17 1.43 -0.54 -1.39 118.68 119.97 2chb s LEU 85 Ca 0.14 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 2chb s LEU 85 Cb 0.02 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2chb s LEU 85 CO -0.01 0.08 0.12 0.00 0.23 0.00 0.00 176.35 176.78 2chb s VAL 87 N 1.27 0.99 -0.26 0.00 -7.23 -0.43 0.06 120.40 114.80 2chb s VAL 87 Ca 0.06 -1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 2chb s VAL 87 Cb -0.14 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.84 2chb s VAL 87 CO 0.05 -0.21 0.90 0.26 -0.31 0.00 0.00 175.10 175.80 2chb s TRP 88 N -1.19 3.28 -1.90 2.82 0.51 0.16 -0.97 118.94 121.65 2chb s TRP 88 Ca -0.03 1.16 0.09 0.00 -2.12 0.00 0.00 56.10 55.20 2chb s TRP 88 Cb -0.09 -3.21 0.26 0.00 -0.81 0.00 0.00 33.47 29.61 2chb s TRP 88 CO 0.02 -0.50 1.19 0.27 -0.51 0.00 0.00 176.95 177.42 2chb n ASN 89 N 6.23 1.65 -1.79 2.95 0.23 0.56 -2.68 115.26 122.41 2chb n ASN 89 Ca 0.08 -2.03 -0.06 0.00 -0.53 0.00 0.00 54.58 52.04 2chb n ASN 89 Cb 0.47 -0.22 0.27 0.00 -2.08 0.00 0.00 39.78 38.22 2chb n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2chb n ASN 90 N 0.34 4.32 -4.01 0.53 6.94 -1.26 -4.93 115.26 117.19 2chb n ASN 90 Ca 0.10 -3.31 -0.09 0.00 -0.02 0.00 0.00 54.58 51.25 2chb n ASN 90 Cb 0.27 -0.72 -0.11 0.00 -2.36 0.00 0.00 39.78 36.87 2chb n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2chb s LYS 91 N -3.05 0.38 -0.14 -3.83 -0.14 -1.25 -5.09 119.74 106.62 2chb s LYS 91 Ca 0.53 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 54.39 2chb s LYS 91 Cb 0.43 0.10 0.04 0.00 -1.68 0.00 0.00 37.83 36.72 2chb s LYS 91 CO 0.11 -0.05 -0.03 0.99 -0.76 0.00 0.00 175.35 175.61 2chb s THR 92 N -1.90 0.85 0.82 2.17 2.01 -1.26 -2.50 115.64 115.83 2chb s THR 92 Ca -0.11 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2chb s THR 92 Cb -0.07 -1.06 0.09 0.00 0.01 0.00 0.00 72.50 71.47 2chb s THR 92 CO -0.02 0.13 1.10 -2.84 -0.69 0.00 0.00 174.62 172.29 2chb s PRO 93 N 1.75 1.82 0.34 4.92 0.02 -1.26 -5.07 135.00 137.52 2chb s PRO 93 Ca 0.02 1.21 -0.28 0.00 0.02 0.00 0.00 61.00 61.96 2chb s PRO 93 Cb -0.15 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 2chb s PRO 93 CO -0.07 -1.96 1.34 0.72 -0.33 0.00 0.00 177.00 176.69 2chb n HIS 94 N -3.74 2.41 -3.43 6.54 8.25 -1.04 -4.50 115.22 119.71 2chb n HIS 94 Ca 0.09 0.52 -0.37 0.00 -0.26 0.00 0.00 57.72 57.70 2chb n HIS 94 Cb 0.53 -2.44 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 2chb n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2chb s ALA 95 N -1.00 3.56 0.08 -1.41 0.00 -1.09 -1.33 121.76 120.56 2chb s ALA 95 Ca 0.56 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.74 2chb s ALA 95 Cb -0.56 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2chb s ALA 95 CO 0.61 -0.14 1.54 0.42 0.00 0.00 0.00 175.76 178.19 2chb s ILE 96 N 0.96 3.13 -0.21 0.00 1.01 -0.08 -0.66 121.20 125.34 2chb s ILE 96 Ca 0.19 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2chb s ILE 96 Cb -0.14 -3.44 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2chb s ILE 96 CO 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 174.94 174.81 2chb n ALA 97 N 4.90 1.55 -2.91 9.38 0.00 0.11 -4.86 120.51 128.69 2chb n ALA 97 Ca 0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.59 2chb n ALA 97 Cb 0.41 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 2chb n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2chb s ALA 98 N -2.41 -0.77 0.01 0.00 0.00 -1.03 -4.97 121.76 112.58 2chb s ALA 98 Ca -0.29 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2chb s ALA 98 Cb 0.09 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2chb s ALA 98 CO 0.45 -0.60 -0.03 -1.50 0.00 0.00 0.00 175.76 174.08 2chb s ILE 99 N -3.71 0.21 -0.02 0.00 2.07 -1.26 -0.79 121.20 117.70 2chb s ILE 99 Ca 0.03 -0.49 0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2chb s ILE 99 Cb 0.02 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 2chb s ILE 99 CO -0.11 -0.19 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.62 2chb s SER 100 N -0.72 2.09 -0.04 4.50 1.04 -0.48 -5.01 113.70 115.08 2chb s SER 100 Ca -0.06 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2chb s SER 100 Cb -0.05 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2chb s SER 100 CO -0.00 0.20 -0.13 -0.04 0.98 0.00 0.00 173.24 174.25 2chb s MET 101 N -0.30 1.43 -0.21 4.02 -1.94 -1.26 -0.92 119.30 120.12 2chb s MET 101 Ca 0.04 -0.44 -0.10 0.00 -1.71 0.00 0.00 55.69 53.48 2chb s MET 101 Cb -0.08 -1.26 0.08 0.00 2.01 0.00 0.00 34.83 35.58 2chb s MET 101 CO -0.00 0.14 0.49 0.00 -0.01 0.00 0.00 175.02 175.64 2chb s ALA 102 N 0.26 -1.34 -1.89 3.03 0.00 -1.24 -4.87 121.76 115.71 2chb s ALA 102 Ca -0.06 1.79 0.15 0.00 0.00 0.00 0.00 51.96 53.84 2chb s ALA 102 Cb -0.11 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.93 2chb s ALA 102 CO 0.02 -0.45 0.98 0.09 0.00 0.00 0.00 175.76 176.40