#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgp s VAL 2 N 0.00 4.06 0.05 2.03 1.01 -1.26 -1.20 120.40 125.09 2hgp s VAL 2 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2hgp s VAL 2 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2hgp s VAL 2 CO 0.00 -0.72 -0.05 -1.59 0.00 0.00 0.00 175.10 172.74 2hgp s LYS 3 N 4.57 0.54 -0.27 2.72 -2.85 -0.27 -1.11 119.74 123.08 2hgp s LYS 3 Ca 0.56 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 2hgp s LYS 3 Cb -0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 37.83 35.63 2hgp s LYS 3 CO 0.29 -0.04 0.06 0.96 0.10 0.00 0.00 175.35 176.72 2hgp s ILE 4 N -2.58 4.06 0.11 3.79 -0.00 0.17 -0.92 121.20 125.83 2hgp s ILE 4 Ca -0.03 -0.44 -0.01 0.00 -0.00 0.00 0.00 60.65 60.16 2hgp s ILE 4 Cb -0.02 -2.99 0.01 0.00 -0.00 0.00 0.00 42.46 39.46 2hgp s ILE 4 CO -0.04 0.23 0.17 -2.11 -0.00 0.00 0.00 174.94 173.18 2hgp n ARG 5 N 4.89 0.24 -4.26 0.37 1.85 0.07 -0.86 116.66 118.96 2hgp n ARG 5 Ca -0.16 -0.83 -0.26 0.00 -1.00 0.00 0.00 57.85 55.60 2hgp n ARG 5 Cb 0.50 0.84 -0.07 0.00 -1.05 0.00 0.00 32.46 32.67 2hgp n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2hgp s LEU 6 N 0.00 2.94 0.19 2.89 -0.00 -1.23 -0.82 118.68 122.64 2hgp s LEU 6 Ca 0.08 -1.21 0.04 0.00 -0.00 0.00 0.00 54.13 53.03 2hgp s LEU 6 Cb -0.01 -1.24 -0.05 0.00 -0.00 0.00 0.00 46.19 44.90 2hgp s LEU 6 CO 0.06 -0.62 -0.04 0.00 -0.00 0.00 0.00 176.35 175.75 2hgp s ALA 7 N -2.67 1.58 -0.16 1.48 0.00 -0.06 -4.86 121.76 117.08 2hgp s ALA 7 Ca 0.35 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2hgp s ALA 7 Cb 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2hgp s ALA 7 CO 0.19 -0.20 0.02 0.50 0.00 0.00 0.00 175.76 176.27 2hgp s ARG 8 N -3.83 3.75 -0.06 0.00 3.00 -1.26 -0.58 118.95 119.97 2hgp s ARG 8 Ca 0.23 -0.41 0.01 0.00 -1.00 0.00 0.00 55.73 54.56 2hgp s ARG 8 Cb 0.04 -3.06 0.02 0.00 0.00 0.00 0.00 34.95 31.96 2hgp s ARG 8 CO 0.04 0.32 -0.07 -0.06 0.00 0.00 0.00 175.30 175.53 2hgp s PHE 9 N 0.20 1.08 0.00 5.12 2.99 -0.04 -4.96 117.98 122.37 2hgp s PHE 9 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 56.93 56.57 2hgp s PHE 9 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 43.02 42.02 2hgp s PHE 9 CO 0.01 -0.26 0.00 0.41 -0.00 0.00 0.00 175.22 175.38 2hgp n GLY 10 N 4.10 -1.01 0.00 4.36 0.00 -1.24 -0.73 105.19 110.66 2hgp n GLY 10 Ca -0.22 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hgp n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgp n SER 11 N 0.00 0.00 -4.50 1.61 3.41 -0.09 -4.97 113.62 109.08 2hgp n SER 11 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2hgp n SER 11 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2hgp n SER 11 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hgp s LYS 12 N 3.64 3.17 0.00 4.33 2.47 -1.26 -4.04 119.74 128.05 2hgp s LYS 12 Ca 0.00 -0.66 0.00 0.00 -1.56 0.00 0.00 55.97 53.75 2hgp s LYS 12 Cb 0.00 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.42 2hgp s LYS 12 CO 0.00 -0.84 0.00 0.72 0.16 0.00 0.00 175.35 175.39 2hgp n HIS 13 N 5.68 0.00 -3.85 4.03 8.25 -1.26 -5.01 115.22 123.06 2hgp n HIS 13 Ca -0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 2hgp n HIS 13 Cb 0.48 -0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.35 2hgp n HIS 13 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2hgp s ASN 14 N -2.21 3.87 -0.38 0.41 2.47 -1.26 -5.09 114.94 112.76 2hgp s ASN 14 Ca 0.00 -1.40 0.02 0.00 0.42 0.00 0.00 52.86 51.91 2hgp s ASN 14 Cb 0.00 -1.04 0.11 0.00 -1.45 0.00 0.00 41.25 38.87 2hgp s ASN 14 CO 0.00 -0.32 0.13 -2.16 -3.72 0.00 0.00 177.10 171.03 2hgp s PRO 15 N 1.48 1.28 0.54 0.43 0.04 -1.26 -0.91 135.00 136.59 2hgp s PRO 15 Ca 0.02 -1.77 -0.02 0.00 0.04 0.00 0.00 61.00 59.28 2hgp s PRO 15 Cb -0.18 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2hgp s PRO 15 CO -0.13 -1.02 0.79 -1.01 0.04 0.00 0.00 177.00 175.67 2hgp s HIS 16 N 0.84 3.11 0.04 0.56 3.76 0.09 -4.69 115.29 119.01 2hgp s HIS 16 Ca 0.13 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 2hgp s HIS 16 Cb -0.21 -2.62 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 2hgp s HIS 16 CO -0.10 -0.71 -0.15 0.71 -0.85 0.00 0.00 174.74 173.64 2hgp s TYR 17 N -2.79 1.28 -0.11 1.40 1.51 0.11 -0.86 117.35 117.88 2hgp s TYR 17 Ca 0.53 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.96 2hgp s TYR 17 Cb -0.10 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 2hgp s TYR 17 CO 0.41 0.04 0.88 1.03 -1.11 0.00 0.00 175.55 176.80 2hgp s ARG 18 N -1.17 4.39 -0.54 -0.62 1.81 0.25 -0.96 118.95 122.11 2hgp s ARG 18 Ca 0.02 1.15 -0.18 0.00 -1.72 0.00 0.00 55.73 55.00 2hgp s ARG 18 Cb -0.08 -3.53 0.09 0.00 -0.45 0.00 0.00 34.95 30.98 2hgp s ARG 18 CO 0.01 -0.23 0.60 0.42 -0.68 0.00 0.00 175.30 175.42 2hgp s ILE 19 N 1.76 4.97 0.29 1.52 1.01 -0.00 -0.88 121.20 129.86 2hgp s ILE 19 Ca 0.43 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 2hgp s ILE 19 Cb -0.18 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 2hgp s ILE 19 CO 0.17 -0.91 0.35 -0.69 0.00 0.00 0.00 174.94 173.86 2hgp s VAL 20 N 2.32 0.00 -0.04 2.92 1.01 -0.00 -0.81 120.40 125.79 2hgp s VAL 20 Ca 0.10 -1.75 0.06 0.00 0.00 0.00 0.00 61.98 60.39 2hgp s VAL 20 Cb -0.24 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2hgp s VAL 20 CO 0.07 0.00 -0.23 0.68 0.00 0.00 0.00 175.10 175.62 2hgp s VAL 21 N -3.56 1.86 0.26 2.92 -7.23 -0.10 -0.75 120.40 113.80 2hgp s VAL 21 Ca 0.33 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 2hgp s VAL 21 Cb 0.02 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.45 2hgp s VAL 21 CO 0.18 0.52 0.92 0.28 -0.31 0.00 0.00 175.10 176.69 2hgp s THR 22 N -0.21 0.00 -0.20 5.32 -1.32 -0.09 0.11 115.64 119.25 2hgp s THR 22 Ca -0.01 -0.77 -0.12 0.00 -1.21 0.00 0.00 61.69 59.57 2hgp s THR 22 Cb -0.12 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.11 2hgp s THR 22 CO 0.02 0.00 0.24 -1.81 -2.21 0.00 0.00 174.62 170.86 2hgp s ASP 23 N -3.19 6.29 0.00 8.08 1.01 -1.26 -1.12 116.67 126.48 2hgp s ASP 23 Ca 0.18 0.33 -0.16 0.00 0.71 0.00 0.00 52.55 53.60 2hgp s ASP 23 Cb -0.04 -2.15 -0.20 0.00 1.01 0.00 0.00 42.92 41.54 2hgp s ASP 23 CO 0.07 0.07 1.08 0.00 0.21 0.00 0.00 175.17 176.60 2hgp n ALA 24 N 3.98 0.48 0.13 5.23 0.00 -0.34 -2.43 120.51 127.57 2hgp n ALA 24 Ca -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.70 2hgp n ALA 24 Cb 0.52 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2hgp n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgp n ARG 25 N 5.90 0.00 -1.92 0.00 1.74 -1.26 -4.63 116.66 116.49 2hgp n ARG 25 Ca 0.25 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.90 2hgp n ARG 25 Cb 0.32 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.73 2hgp n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hgp s ARG 26 N -2.00 3.66 0.03 5.56 0.52 -1.02 -4.87 118.95 120.83 2hgp s ARG 26 Ca 0.00 1.87 -0.01 0.00 -0.52 0.00 0.00 55.73 57.07 2hgp s ARG 26 Cb 0.00 -4.15 -0.01 0.00 0.52 0.00 0.00 34.95 31.31 2hgp s ARG 26 CO 0.00 -1.48 0.01 1.63 0.02 0.00 0.00 175.30 175.48 2hgp n LYS 27 N 7.97 0.00 -0.58 3.54 4.01 -1.26 -3.70 118.16 128.13 2hgp n LYS 27 Ca 0.22 0.00 0.44 0.00 -0.51 0.00 0.00 58.31 58.46 2hgp n LYS 27 Cb 0.45 -0.07 0.68 0.00 -0.51 0.00 0.00 35.03 35.57 2hgp n LYS 27 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2hgp n ARG 28 N 0.09 -0.00 0.00 1.97 1.85 -1.26 0.33 116.66 119.64 2hgp n ARG 28 Ca 0.01 0.90 0.09 0.00 -1.00 0.00 0.00 57.85 57.85 2hgp n ARG 28 Cb 0.03 -2.07 0.01 0.00 -1.05 0.00 0.00 32.46 29.38 2hgp n ARG 28 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2hgp n ASP 29 N -3.63 1.97 -3.82 2.89 10.43 -1.26 -4.35 116.55 118.78 2hgp n ASP 29 Ca 0.37 -1.48 -0.21 0.00 2.57 0.00 0.00 54.79 56.03 2hgp n ASP 29 Cb 1.66 0.37 0.11 0.00 1.84 0.00 0.00 41.12 45.10 2hgp n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hgp n GLY 30 N 1.23 -2.33 3.32 0.44 0.00 0.98 -4.84 105.19 103.98 2hgp n GLY 30 Ca 0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2hgp n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgp n LYS 31 N -0.47 -2.45 -4.01 1.61 4.81 -1.26 -4.89 118.16 111.50 2hgp n LYS 31 Ca 0.03 -0.70 -0.17 0.00 -0.87 0.00 0.00 58.31 56.60 2hgp n LYS 31 Cb 0.41 -1.88 -0.16 0.00 0.02 0.00 0.00 35.03 33.43 2hgp n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2hgp s TYR 32 N -2.27 0.37 0.57 5.64 1.13 -1.26 -4.86 117.35 116.67 2hgp s TYR 32 Ca 0.61 -0.05 0.41 0.00 -1.41 0.00 0.00 57.07 56.63 2hgp s TYR 32 Cb -0.17 -0.37 1.49 0.00 -1.10 0.00 0.00 41.96 41.82 2hgp s TYR 32 CO 0.63 -0.09 1.58 0.82 -2.51 0.00 0.00 175.55 175.97 2hgp h ILE 33 N 5.82 0.11 0.00 -3.49 2.04 0.46 -3.42 117.51 119.03 2hgp h ILE 33 Ca -0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2hgp h ILE 33 Cb 1.16 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2hgp h ILE 33 CO 0.49 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.85 2hgp n GLU 34 N -3.80 0.00 -2.97 2.37 0.00 -0.08 -4.97 120.64 111.19 2hgp n GLU 34 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 57.10 2hgp n GLU 34 Cb 1.67 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 33.05 2hgp n GLU 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2hgp s LYS 35 N -2.00 4.58 -0.40 5.31 2.47 -1.26 -0.93 119.74 127.51 2hgp s LYS 35 Ca 0.00 1.17 0.07 0.00 -1.56 0.00 0.00 55.97 55.65 2hgp s LYS 35 Cb 0.00 -3.27 0.17 0.00 -1.46 0.00 0.00 37.83 33.27 2hgp s LYS 35 CO 0.00 0.54 0.57 0.96 0.16 0.00 0.00 175.35 177.57 2hgp s ILE 36 N -1.03 -0.83 0.25 5.43 -4.36 0.01 -4.91 121.20 115.76 2hgp s ILE 36 Ca 0.36 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2hgp s ILE 36 Cb -0.23 -0.18 0.00 0.00 1.25 0.00 0.00 42.46 43.30 2hgp s ILE 36 CO 0.26 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 175.90 2hgp n GLY 37 N 4.38 -2.78 3.15 6.27 0.00 -1.23 -4.10 105.19 110.87 2hgp n GLY 37 Ca 0.11 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 2hgp n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hgp s TYR 38 N -3.31 0.05 -0.07 1.61 -0.85 0.02 -0.82 117.35 113.99 2hgp s TYR 38 Ca 0.00 -0.22 -0.21 0.00 -0.52 0.00 0.00 57.07 56.12 2hgp s TYR 38 Cb 0.00 -0.04 0.04 0.00 0.38 0.00 0.00 41.96 42.34 2hgp s TYR 38 CO 0.00 -0.37 0.47 -0.47 -1.52 0.00 0.00 175.55 173.67 2hgp s TYR 39 N -2.06 -0.42 -0.09 -3.49 5.04 -0.13 -1.20 117.35 115.00 2hgp s TYR 39 Ca -0.09 0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 55.32 2hgp s TYR 39 Cb -0.04 0.22 0.03 0.00 0.35 0.00 0.00 41.96 42.52 2hgp s TYR 39 CO -0.01 -0.43 -0.01 0.16 -1.34 0.00 0.00 175.55 173.92 2hgp s ASP 40 N -0.92 1.80 0.45 4.32 -4.77 -0.33 -0.72 116.67 116.51 2hgp s ASP 40 Ca -0.10 -0.18 0.29 0.00 -3.30 0.00 0.00 52.55 49.26 2hgp s ASP 40 Cb -0.03 -0.52 1.05 0.00 -1.09 0.00 0.00 42.92 42.33 2hgp s ASP 40 CO 0.05 -0.19 1.84 -0.65 0.70 0.00 0.00 175.17 176.93 2hgp h PRO 41 N 8.30 0.00 0.00 2.11 0.11 -1.85 -2.79 132.00 137.88 2hgp h PRO 41 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2hgp h PRO 41 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2hgp h PRO 41 CO 0.29 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 2hgp h ARG 42 N 0.00 0.00 0.00 1.05 3.08 -1.96 -3.48 114.38 113.07 2hgp h ARG 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hgp h ARG 42 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2hgp h ARG 42 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 2hgp n LYS 43 N -2.38 0.00 0.00 0.04 4.01 -1.05 -5.00 118.16 113.77 2hgp n LYS 43 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 2hgp n LYS 43 Cb 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.92 2hgp n LYS 43 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2hgp n THR 44 N 0.00 0.00 -1.68 -0.18 5.66 -1.26 -4.50 114.28 112.32 2hgp n THR 44 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2hgp n THR 44 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 2hgp n THR 44 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2hgp n THR 45 N 0.00 2.81 0.25 1.09 -2.24 -1.26 -4.83 114.28 110.09 2hgp n THR 45 Ca 0.00 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2hgp n THR 45 Cb 0.00 -1.46 0.62 0.00 -2.10 0.00 0.00 70.33 67.40 2hgp n THR 45 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2hgp h PRO 46 N 1.74 0.00 -2.85 -0.78 0.13 -2.04 -2.82 132.00 125.38 2hgp h PRO 46 Ca -0.48 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.88 2hgp h PRO 46 Cb 1.31 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.24 2hgp h PRO 46 CO 0.58 0.17 1.60 -3.47 -0.23 0.00 0.00 178.00 176.65 2hgp n ASP 47 N -3.58 6.70 -0.18 1.44 -0.08 -1.26 -4.76 116.55 114.83 2hgp n ASP 47 Ca -0.01 -3.32 0.02 0.00 -1.51 0.00 0.00 54.79 49.97 2hgp n ASP 47 Cb 0.31 -1.33 0.10 0.00 2.34 0.00 0.00 41.12 42.54 2hgp n ASP 47 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2hgp n TRP 48 N 1.80 0.12 -3.64 -0.67 4.27 -1.07 -4.84 117.44 113.42 2hgp n TRP 48 Ca 0.44 -0.06 -0.05 0.00 -3.89 0.00 0.00 57.50 53.93 2hgp n TRP 48 Cb 0.30 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.18 2hgp n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2hgp s LEU 49 N -1.07 -0.40 -0.30 5.67 2.96 -1.26 -1.18 118.68 123.10 2hgp s LEU 49 Ca 0.09 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2hgp s LEU 49 Cb 0.05 1.69 0.11 0.00 0.50 0.00 0.00 46.19 48.54 2hgp s LEU 49 CO 0.07 -0.12 0.17 -0.75 -1.32 0.00 0.00 176.35 174.40 2hgp s LYS 50 N 0.63 0.28 -0.91 1.98 2.36 -0.34 -5.01 119.74 118.72 2hgp s LYS 50 Ca -0.01 -0.64 -0.06 0.00 -2.55 0.00 0.00 55.97 52.71 2hgp s LYS 50 Cb -0.04 -1.12 0.23 0.00 -1.05 0.00 0.00 37.83 35.84 2hgp s LYS 50 CO -0.11 -1.06 0.82 0.08 1.55 0.00 0.00 175.35 176.64 2hgp s VAL 51 N 1.92 4.90 -0.22 4.02 1.01 -1.26 -0.79 120.40 129.98 2hgp s VAL 51 Ca 0.11 -3.43 -0.19 0.00 0.00 0.00 0.00 61.98 58.47 2hgp s VAL 51 Cb -0.17 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2hgp s VAL 51 CO -0.29 -1.08 0.87 -0.67 0.00 0.00 0.00 175.10 173.93 2hgp n ASP 52 N 2.82 0.37 0.03 3.32 4.64 -1.26 -4.77 116.55 121.68 2hgp n ASP 52 Ca 0.19 0.34 -0.13 0.00 -1.38 0.00 0.00 54.79 53.82 2hgp n ASP 52 Cb 0.39 -0.39 -0.09 0.00 -1.04 0.00 0.00 41.12 40.00 2hgp n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2hgp h VAL 53 N 2.82 1.18 0.00 5.18 -1.51 -1.95 -2.65 116.25 119.32 2hgp h VAL 53 Ca -0.08 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2hgp h VAL 53 Cb 0.61 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2hgp h VAL 53 CO 0.46 0.19 0.00 1.21 -1.23 0.00 0.00 177.57 178.20 2hgp n GLU 54 N -4.96 0.00 -0.29 5.19 4.07 -1.26 -1.02 120.64 122.37 2hgp n GLU 54 Ca -0.08 0.35 0.11 0.00 -0.06 0.00 0.00 57.16 57.49 2hgp n GLU 54 Cb 0.19 -1.17 0.23 0.00 -0.06 0.00 0.00 31.44 30.63 2hgp n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2hgp n ARG 55 N -1.25 -0.07 -0.19 5.31 5.12 -1.26 0.24 116.66 124.56 2hgp n ARG 55 Ca 0.00 1.25 -0.06 0.00 -1.93 0.00 0.00 57.85 57.11 2hgp n ARG 55 Cb 0.00 -1.97 -0.05 0.00 -1.16 0.00 0.00 32.46 29.28 2hgp n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hgp h ALA 56 N 1.66 -0.33 -1.77 7.54 0.00 -0.97 0.66 119.26 126.05 2hgp h ALA 56 Ca 0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2hgp h ALA 56 Cb 0.97 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2hgp h ALA 56 CO -0.79 -0.53 0.00 0.54 0.00 0.00 0.00 179.25 178.47 2hgp n ARG 57 N -4.15 0.00 -0.17 0.00 5.12 0.67 -0.78 116.66 117.35 2hgp n ARG 57 Ca 0.01 0.40 -0.04 0.00 -1.93 0.00 0.00 57.85 56.28 2hgp n ARG 57 Cb 0.14 -1.20 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 2hgp n ARG 57 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2hgp n TYR 58 N -1.39 -0.17 -0.01 -1.55 4.19 -0.12 0.16 117.16 118.27 2hgp n TYR 58 Ca 0.00 0.49 -0.04 0.00 3.31 0.00 0.00 57.90 61.66 2hgp n TYR 58 Cb 0.00 -0.46 -0.03 0.00 0.49 0.00 0.00 39.34 39.34 2hgp n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 2hgp h TRP 59 N 0.00 -0.45 -0.37 2.98 -0.00 -0.94 0.17 115.95 117.34 2hgp h TRP 59 Ca 0.06 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.05 2hgp h TRP 59 Cb 0.16 0.20 -0.07 0.00 -0.00 0.00 0.00 29.16 29.46 2hgp h TRP 59 CO -0.66 -0.15 -0.09 1.28 -0.00 0.00 0.00 178.44 178.82 2hgp n LEU 60 N -3.38 -0.13 0.00 -4.49 4.77 0.43 -3.19 117.00 111.01 2hgp n LEU 60 Ca -0.01 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2hgp n LEU 60 Cb 0.10 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2hgp n LEU 60 CO 0.02 -0.62 0.00 -1.54 -1.33 0.00 0.00 177.39 173.92 2hgp n SER 61 N -4.60 0.00 -4.55 -1.43 3.41 0.59 -2.22 113.62 104.82 2hgp n SER 61 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.28 2hgp n SER 61 Cb 0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2hgp n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2hgp s VAL 62 N 0.00 3.51 0.00 -3.33 -7.23 -1.19 -4.37 120.40 107.78 2hgp s VAL 62 Ca 0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 2hgp s VAL 62 Cb 0.00 -4.32 0.00 0.00 0.56 0.00 0.00 36.38 32.62 2hgp s VAL 62 CO 0.00 -1.28 0.00 0.61 -0.31 0.00 0.00 175.10 174.12 2hgp n GLY 63 N 5.70 0.62 3.02 2.32 0.00 -1.24 -4.89 105.19 110.73 2hgp n GLY 63 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2hgp n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgp n ALA 64 N 0.79 0.23 -2.85 4.61 0.00 -0.94 -4.84 120.51 117.52 2hgp n ALA 64 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2hgp n ALA 64 Cb 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 2hgp n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2hgp s GLN 65 N 6.97 3.26 0.26 0.00 2.00 -0.27 -4.77 119.66 127.12 2hgp s GLN 65 Ca 1.15 -0.39 0.12 0.00 -2.00 0.00 0.00 55.36 54.24 2hgp s GLN 65 Cb -1.20 -2.99 -0.05 0.00 0.80 0.00 0.00 33.01 29.57 2hgp s GLN 65 CO 0.49 0.66 -0.20 -1.25 -0.50 0.00 0.00 175.29 174.49 2hgp s PRO 66 N -1.82 1.66 0.95 1.67 0.04 -1.26 -0.66 135.00 135.59 2hgp s PRO 66 Ca 0.25 -1.70 -0.13 0.00 0.04 0.00 0.00 61.00 59.46 2hgp s PRO 66 Cb -0.12 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2hgp s PRO 66 CO 0.16 0.35 0.34 2.41 0.04 0.00 0.00 177.00 180.30 2hgp n THR 67 N -0.41 0.00 0.22 1.26 -1.04 -0.04 -4.54 114.28 109.73 2hgp n THR 67 Ca -0.07 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 2hgp n THR 67 Cb 0.59 -0.59 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2hgp n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2hgp h ASP 68 N -1.54 -0.51 -1.50 8.00 5.19 -1.98 0.11 116.42 124.18 2hgp h ASP 68 Ca -0.44 0.02 0.45 0.00 -0.62 0.00 0.00 57.03 56.44 2hgp h ASP 68 Cb 1.28 0.13 -0.09 0.00 0.18 0.00 0.00 39.33 40.84 2hgp h ASP 68 CO 0.34 -0.23 1.04 0.71 -3.12 0.00 0.00 179.24 177.98 2hgp h THR 69 N -0.88 0.18 0.17 0.35 1.35 -1.99 0.47 112.91 112.56 2hgp h THR 69 Ca -0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2hgp h THR 69 Cb 0.46 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2hgp h THR 69 CO 0.10 0.01 -0.12 0.00 -0.25 0.00 0.00 175.52 175.26 2hgp h ALA 70 N 1.35 -0.95 -0.88 6.62 0.00 -1.48 -0.73 119.26 123.19 2hgp h ALA 70 Ca 0.79 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.82 2hgp h ALA 70 Cb 2.85 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 20.74 2hgp h ALA 70 CO -0.17 -0.94 -0.21 -0.09 0.00 0.00 0.00 179.25 177.83 2hgp h ARG 71 N -0.27 0.00 -0.47 0.00 2.43 0.23 0.49 114.38 116.79 2hgp h ARG 71 Ca -0.02 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2hgp h ARG 71 Cb 0.22 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2hgp h ARG 71 CO 0.02 0.00 0.30 -0.09 -1.51 0.00 0.00 179.97 178.69 2hgp h ARG 72 N 0.00 0.60 -0.14 0.20 1.12 -1.07 -0.21 114.38 114.88 2hgp h ARG 72 Ca 0.42 -0.04 0.04 0.00 -1.11 0.00 0.00 59.98 59.30 2hgp h ARG 72 Cb 0.65 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 2hgp h ARG 72 CO -0.90 0.40 -0.09 1.25 -3.11 0.00 0.00 179.97 177.52 2hgp h LEU 73 N 0.62 -0.29 -0.25 3.80 7.12 0.14 -0.82 115.31 125.63 2hgp h LEU 73 Ca 0.18 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 2hgp h LEU 73 Cb -0.05 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2hgp h LEU 73 CO -0.05 -0.12 0.11 -0.07 -0.13 0.00 0.00 178.44 178.18 2hgp h LEU 74 N -0.09 0.34 0.16 2.25 3.38 -0.70 -0.19 115.31 120.47 2hgp h LEU 74 Ca 0.09 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2hgp h LEU 74 Cb 0.21 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2hgp h LEU 74 CO -0.20 0.41 -0.35 -0.09 0.09 0.00 0.00 178.44 178.29 2hgp h ARG 75 N 0.26 -0.59 -0.60 1.13 2.43 -0.90 0.50 114.38 116.62 2hgp h ARG 75 Ca 0.08 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2hgp h ARG 75 Cb 0.17 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.76 2hgp h ARG 75 CO -0.01 -0.39 -0.48 0.37 -1.51 0.00 0.00 179.97 177.95 2hgp h GLN 76 N -0.61 -0.15 -0.59 0.20 -0.00 -1.06 1.95 115.11 114.85 2hgp h GLN 76 Ca 0.02 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.77 2hgp h GLN 76 Cb 0.62 0.03 -0.10 0.00 0.00 0.00 0.00 27.48 28.04 2hgp h GLN 76 CO -0.18 -0.10 -0.23 0.00 0.00 0.00 0.00 178.83 178.32 2hgp n ALA 77 N -3.12 -0.06 0.00 3.38 0.00 -0.09 -4.70 120.51 115.91 2hgp n ALA 77 Ca -0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2hgp n ALA 77 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2hgp n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgp n GLY 78 N -1.29 0.62 0.00 0.00 0.00 0.66 -4.98 105.19 100.21 2hgp n GLY 78 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2hgp n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgp n VAL 79 N 0.00 0.04 -0.81 1.61 0.31 -1.14 -4.77 118.33 113.57 2hgp n VAL 79 Ca 0.00 -0.13 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 2hgp n VAL 79 Cb 0.00 1.61 0.04 0.00 -0.91 0.00 0.00 33.84 34.58 2hgp n VAL 79 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2hgp n PHE 80 N -0.02 0.00 -3.01 3.52 -0.00 -1.26 -4.86 117.46 111.83 2hgp n PHE 80 Ca 0.00 -0.48 -0.44 0.00 -0.00 0.00 0.00 57.45 56.53 2hgp n PHE 80 Cb 0.24 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.48 39.63 2hgp n PHE 80 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2hgp s ARG 81 N -1.21 3.51 0.00 -4.13 3.52 -1.26 -4.92 118.95 114.45 2hgp s ARG 81 Ca 0.09 -1.77 0.00 0.00 -0.13 0.00 0.00 55.73 53.93 2hgp s ARG 81 Cb 0.08 -4.72 0.00 0.00 -1.56 0.00 0.00 34.95 28.75 2hgp s ARG 81 CO 0.01 -1.67 0.11 0.94 -0.81 0.00 0.00 175.30 173.88 2hgp n GLN 82 N 6.18 0.00 0.00 5.12 7.27 -1.26 -5.16 117.38 129.53 2hgp n GLN 82 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2hgp n GLN 82 Cb 0.48 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 31.98 2hgp n GLN 82 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52