#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgr n ARG 3 N 0.00 0.00 -3.15 0.54 1.74 -1.26 -5.07 116.66 109.46 2hgr n ARG 3 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2hgr n ARG 3 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgr n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hgr s SER 4 N 0.00 -1.18 -0.29 0.55 1.04 -1.26 -5.02 113.70 107.54 2hgr s SER 4 Ca 0.00 0.12 0.20 0.00 0.48 0.00 0.00 55.95 56.75 2hgr s SER 4 Cb 0.00 1.74 0.48 0.00 0.10 0.00 0.00 66.02 68.34 2hgr s SER 4 CO 0.00 -0.21 1.08 0.18 0.98 0.00 0.00 173.24 175.26 2hgr n LEU 5 N 5.27 1.28 0.00 2.42 4.77 -1.26 -5.13 117.00 124.35 2hgr n LEU 5 Ca 0.07 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 2hgr n LEU 5 Cb 0.56 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2hgr n LEU 5 CO -0.10 1.29 0.00 0.29 -1.33 0.00 0.00 177.39 177.54 2hgr n LYS 6 N -0.43 0.00 -2.66 3.23 5.02 -1.26 -1.73 118.16 120.33 2hgr n LYS 6 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2hgr n LYS 6 Cb 0.81 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.81 2hgr n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hgr s LYS 7 N 0.00 3.77 0.00 1.97 1.02 -1.26 -4.15 119.74 121.09 2hgr s LYS 7 Ca 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.35 2hgr s LYS 7 Cb 0.00 -5.32 0.00 0.00 -0.52 0.00 0.00 37.83 31.99 2hgr s LYS 7 CO 0.00 -2.12 0.00 0.41 -0.92 0.00 0.00 175.35 172.72 2hgr n GLY 8 N 5.94 0.83 0.36 -3.33 0.00 -1.26 -4.90 105.19 102.84 2hgr n GLY 8 Ca 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 2hgr n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgr n VAL 9 N -0.37 0.00 -0.93 1.61 0.31 -0.71 -4.78 118.33 113.46 2hgr n VAL 9 Ca 0.00 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 2hgr n VAL 9 Cb 0.09 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.06 2hgr n VAL 9 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2hgr n PHE 10 N 0.56 -3.51 -2.04 3.52 7.35 -1.26 -4.91 117.46 117.16 2hgr n PHE 10 Ca 0.06 0.21 -0.01 0.00 -0.76 0.00 0.00 57.45 56.95 2hgr n PHE 10 Cb 0.02 -1.31 -0.01 0.00 0.35 0.00 0.00 39.48 38.53 2hgr n PHE 10 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2hgr n VAL 11 N -2.66 0.00 -0.81 -2.13 0.31 -1.26 -4.23 118.33 107.55 2hgr n VAL 11 Ca -0.02 -0.09 0.06 0.00 -0.01 0.00 0.00 64.34 64.28 2hgr n VAL 11 Cb 0.59 0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 33.79 2hgr n VAL 11 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2hgr n ASP 12 N 0.04 -2.59 -0.00 4.52 9.92 -1.26 -4.18 116.55 123.00 2hgr n ASP 12 Ca -0.04 0.46 0.05 0.00 -0.53 0.00 0.00 54.79 54.74 2hgr n ASP 12 Cb 0.64 -2.64 -0.07 0.00 -0.64 0.00 0.00 41.12 38.41 2hgr n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2hgr n ASP 13 N -3.53 1.52 0.26 -2.24 2.03 -1.26 -3.81 116.55 109.52 2hgr n ASP 13 Ca -0.03 -0.36 0.17 0.00 0.52 0.00 0.00 54.79 55.09 2hgr n ASP 13 Cb 0.27 1.27 0.84 0.00 -0.72 0.00 0.00 41.12 42.77 2hgr n ASP 13 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2hgr h HIS 14 N 0.00 0.00 0.00 -0.67 3.86 -1.89 -0.32 115.15 116.13 2hgr h HIS 14 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hgr h HIS 14 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 2hgr h HIS 14 CO 0.00 0.00 -0.01 1.47 0.86 0.00 0.00 177.93 180.25 2hgr n LEU 15 N -3.20 0.02 -0.05 2.43 -0.00 -1.26 -4.29 117.00 110.65 2hgr n LEU 15 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 56.01 56.09 2hgr n LEU 15 Cb 0.40 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.31 2hgr n LEU 15 CO 0.19 -0.50 0.14 0.18 -0.00 0.00 0.00 177.39 177.39 2hgr n LEU 16 N -2.44 -0.14 0.10 1.47 4.32 -1.00 -0.74 117.00 118.58 2hgr n LEU 16 Ca -0.00 0.38 -0.11 0.00 -0.02 0.00 0.00 56.01 56.26 2hgr n LEU 16 Cb 0.01 -0.10 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 2hgr n LEU 16 CO 0.00 -0.26 0.51 1.05 -1.22 0.00 0.00 177.39 177.47 2hgr h GLU 17 N 0.00 -0.51 -0.82 3.23 -0.00 -1.34 -0.31 114.58 114.84 2hgr h GLU 17 Ca 0.02 0.03 0.20 0.00 -0.00 0.00 0.00 59.36 59.62 2hgr h GLU 17 Cb 0.05 0.12 -0.14 0.00 -0.00 0.00 0.00 28.75 28.78 2hgr h GLU 17 CO -0.12 -0.34 0.13 -0.22 -0.00 0.00 0.00 179.01 178.45 2hgr h LYS 18 N -0.53 0.16 -0.20 1.06 1.63 -1.11 -0.55 116.57 117.04 2hgr h LYS 18 Ca -0.01 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2hgr h LYS 18 Cb 0.51 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2hgr h LYS 18 CO -0.15 0.11 0.10 -0.24 -3.45 0.00 0.00 179.45 175.82 2hgr h VAL 19 N 0.17 1.12 -3.02 2.00 3.04 -0.58 -3.28 116.25 115.69 2hgr h VAL 19 Ca 0.48 -0.33 -0.35 0.00 -1.01 0.00 0.00 66.70 65.49 2hgr h VAL 19 Cb 0.91 0.97 0.18 0.00 -2.01 0.00 0.00 31.29 31.34 2hgr h VAL 19 CO -0.65 0.11 0.01 -0.11 -1.01 0.00 0.00 177.57 175.92 2hgr n LEU 20 N -4.88 0.00 0.00 3.16 0.00 -0.17 -0.27 117.00 114.84 2hgr n LEU 20 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 56.01 55.02 2hgr n LEU 20 Cb 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.60 2hgr n LEU 20 CO 0.35 -2.28 0.00 -1.84 0.00 0.00 0.00 177.39 173.62 2hgr n GLU 21 N -4.83 0.00 0.15 1.96 0.28 -1.26 -2.15 120.64 114.79 2hgr n GLU 21 Ca 0.13 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 2hgr n GLU 21 Cb 0.53 -0.09 0.06 0.00 1.43 0.00 0.00 31.44 33.37 2hgr n GLU 21 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2hgr h LEU 22 N 0.00 0.00 -0.49 -1.84 6.46 -1.66 -2.62 115.31 115.16 2hgr h LEU 22 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2hgr h LEU 22 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2hgr h LEU 22 CO 0.00 0.10 0.03 -3.20 -0.62 0.00 0.00 178.44 174.75 2hgr n ASN 23 N -2.91 0.19 0.00 1.25 4.05 0.63 -3.65 115.26 114.82 2hgr n ASN 23 Ca 0.01 0.57 0.00 0.00 0.45 0.00 0.00 54.58 55.61 2hgr n ASN 23 Cb 0.59 -0.59 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2hgr n ASN 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hgr n ALA 24 N -1.57 0.00 -0.01 5.20 0.00 -0.99 -2.87 120.51 120.27 2hgr n ALA 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgr n ALA 24 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2hgr n ALA 24 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2hgr n LYS 25 N -0.22 0.22 0.00 0.00 -0.00 -1.24 -4.76 118.16 112.16 2hgr n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgr n LYS 25 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.64 2hgr n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgr n GLY 26 N 1.58 1.98 0.00 2.58 0.00 -1.14 -4.76 105.19 105.44 2hgr n GLY 26 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2hgr n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hgr n GLU 27 N 0.00 0.00 0.00 1.61 2.13 -1.26 -4.32 120.64 118.80 2hgr n GLU 27 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgr n GLU 27 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2hgr n GLU 27 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2hgr n LYS 28 N 0.00 0.00 0.00 5.31 4.81 -1.26 -4.98 118.16 122.04 2hgr n LYS 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgr n LYS 28 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgr n LYS 28 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hgr n ARG 29 N 0.00 0.00 -1.53 1.64 0.63 -1.26 -4.99 116.66 111.15 2hgr n ARG 29 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2hgr n ARG 29 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2hgr n ARG 29 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2hgr n LEU 30 N 0.00 2.06 -4.33 6.15 0.00 -1.04 -4.53 117.00 115.31 2hgr n LEU 30 Ca 0.00 -0.09 -0.47 0.00 0.00 0.00 0.00 56.01 55.45 2hgr n LEU 30 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 43.42 41.99 2hgr n LEU 30 CO 0.00 -1.13 0.39 -0.63 0.00 0.00 0.00 177.39 176.02 2hgr s ILE 31 N 10.09 5.45 -0.80 1.96 -1.09 -1.13 -4.67 121.20 130.99 2hgr s ILE 31 Ca 1.08 -2.15 -0.17 0.00 -2.23 0.00 0.00 60.65 57.18 2hgr s ILE 31 Cb -0.53 -4.46 -0.21 0.00 -1.58 0.00 0.00 42.46 35.69 2hgr s ILE 31 CO 0.36 -1.02 2.10 2.29 -1.23 0.00 0.00 174.94 177.44 2hgr n LYS 32 N 4.49 0.22 -1.13 2.79 2.85 -1.26 -3.04 118.16 123.08 2hgr n LYS 32 Ca 0.07 -0.54 -0.30 0.00 -1.05 0.00 0.00 58.31 56.49 2hgr n LYS 32 Cb 0.45 -2.40 0.22 0.00 -0.65 0.00 0.00 35.03 32.65 2hgr n LYS 32 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2hgr s THR 33 N 7.86 1.75 0.00 0.58 -4.23 0.72 -4.79 115.64 117.53 2hgr s THR 33 Ca 0.94 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2hgr s THR 33 Cb -0.37 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2hgr s THR 33 CO 0.26 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 175.13 2hgr n TRP 34 N -4.55 0.00 -0.17 3.99 8.01 -1.26 -2.60 117.44 120.86 2hgr n TRP 34 Ca 0.10 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.25 2hgr n TRP 34 Cb 0.59 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.88 2hgr n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2hgr n SER 35 N -0.92 1.09 -0.73 -0.99 2.88 -1.26 -4.55 113.62 109.13 2hgr n SER 35 Ca 0.00 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2hgr n SER 35 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2hgr n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2hgr n ARG 36 N 4.18 0.52 0.21 -1.46 0.00 -1.26 -3.57 116.66 115.27 2hgr n ARG 36 Ca 0.10 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.09 2hgr n ARG 36 Cb 0.07 -1.25 0.71 0.00 -0.00 0.00 0.00 32.46 31.98 2hgr n ARG 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgr h ARG 37 N 0.71 0.00 0.00 2.89 2.47 -1.92 -2.01 114.38 116.52 2hgr h ARG 37 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hgr h ARG 37 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2hgr h ARG 37 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.40 2hgr n SER 38 N -2.54 -0.32 -3.07 7.04 3.41 -1.23 -4.72 113.62 112.19 2hgr n SER 38 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.44 2hgr n SER 38 Cb 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 2hgr n SER 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hgr n THR 39 N -1.26 -0.58 -0.43 6.66 -1.04 -1.26 -3.37 114.28 113.00 2hgr n THR 39 Ca 0.00 -2.42 -0.14 0.00 -2.04 0.00 0.00 64.05 59.46 2hgr n THR 39 Cb 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2hgr n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2hgr n ILE 40 N 2.54 0.00 -4.03 12.58 5.41 -0.07 -4.44 119.36 131.35 2hgr n ILE 40 Ca 0.22 -0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.66 2hgr n ILE 40 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.44 2hgr n ILE 40 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2hgr s VAL 41 N -0.70 0.00 0.00 1.39 -7.23 -1.26 -2.85 120.40 109.75 2hgr s VAL 41 Ca 0.20 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2hgr s VAL 41 Cb -0.17 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2hgr s VAL 41 CO 0.24 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.38 2hgr n PRO 42 N -0.56 0.00 0.00 4.82 -0.02 -1.26 -1.02 135.00 136.97 2hgr n PRO 42 Ca -0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2hgr n PRO 42 Cb 0.61 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.25 2hgr n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hgr n GLU 43 N 0.00 0.01 0.04 -0.52 0.00 -1.26 -1.01 120.64 117.90 2hgr n GLU 43 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 57.16 57.78 2hgr n GLU 43 Cb 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 31.44 30.02 2hgr n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2hgr n MET 44 N -2.16 0.03 -0.81 5.31 2.81 -0.18 -4.65 117.12 117.47 2hgr n MET 44 Ca 0.08 0.50 -0.03 0.00 -1.81 0.00 0.00 57.70 56.44 2hgr n MET 44 Cb 0.80 -1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 31.64 2hgr n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2hgr n VAL 45 N -1.62 0.00 -0.71 2.03 0.31 -0.18 -3.55 118.33 114.61 2hgr n VAL 45 Ca -0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2hgr n VAL 45 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2hgr n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgr n GLY 46 N 3.47 0.19 3.26 2.92 0.00 -1.03 -4.72 105.19 109.29 2hgr n GLY 46 Ca 0.11 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2hgr n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hgr s HIS 47 N -1.67 1.55 -0.17 1.61 4.02 -1.20 -4.84 115.29 114.58 2hgr s HIS 47 Ca 0.00 -1.54 0.01 0.00 1.02 0.00 0.00 55.06 54.55 2hgr s HIS 47 Cb 0.00 -0.68 0.02 0.00 -1.02 0.00 0.00 32.58 30.90 2hgr s HIS 47 CO 0.00 -0.76 -0.20 0.99 1.02 0.00 0.00 174.74 175.79 2hgr s THR 48 N -3.69 2.09 0.00 1.30 2.01 -1.26 -0.84 115.64 115.26 2hgr s THR 48 Ca 0.40 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2hgr s THR 48 Cb 0.04 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2hgr s THR 48 CO 0.22 0.54 -0.04 0.27 -0.69 0.00 0.00 174.62 174.92 2hgr s ILE 49 N 1.19 0.29 -0.54 1.82 -4.36 -0.25 -2.50 121.20 116.84 2hgr s ILE 49 Ca 0.02 -0.27 -0.22 0.00 -0.26 0.00 0.00 60.65 59.92 2hgr s ILE 49 Cb -0.14 -0.27 0.05 0.00 1.25 0.00 0.00 42.46 43.36 2hgr s ILE 49 CO -0.10 0.00 0.82 0.00 0.24 0.00 0.00 174.94 175.90 2hgr s ALA 50 N -0.27 3.25 0.11 2.27 0.00 -1.17 -0.73 121.76 125.21 2hgr s ALA 50 Ca -0.01 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 2hgr s ALA 50 Cb -0.03 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 2hgr s ALA 50 CO -0.00 -2.26 1.15 0.08 0.00 0.00 0.00 175.76 174.73 2hgr s VAL 51 N 3.44 3.99 -0.38 0.00 1.01 0.14 0.26 120.40 128.87 2hgr s VAL 51 Ca 0.24 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 2hgr s VAL 51 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2hgr s VAL 51 CO 0.16 0.18 0.42 -0.47 0.00 0.00 0.00 175.10 175.40 2hgr s TYR 52 N 0.50 3.18 -0.44 5.22 5.04 -1.07 -0.92 117.35 128.87 2hgr s TYR 52 Ca 0.54 -0.12 0.04 0.00 -2.44 0.00 0.00 57.07 55.09 2hgr s TYR 52 Cb -0.29 -2.82 0.52 0.00 0.35 0.00 0.00 41.96 39.72 2hgr s TYR 52 CO 0.32 -0.56 1.70 0.27 -1.34 0.00 0.00 175.55 175.93 2hgr n ASN 53 N 5.55 4.80 0.00 4.32 0.23 -0.27 -4.88 115.26 125.01 2hgr n ASN 53 Ca -0.07 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.23 2hgr n ASN 53 Cb 0.48 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 2hgr n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hgr n GLY 54 N -1.00 2.46 0.00 4.83 0.00 -1.26 -4.59 105.19 105.63 2hgr n GLY 54 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2hgr n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgr n LYS 55 N -0.63 0.00 -4.45 1.61 4.81 -1.26 -5.14 118.16 113.10 2hgr n LYS 55 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 2hgr n LYS 55 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 2hgr n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2hgr s GLN 56 N 0.00 1.32 -0.79 1.64 -1.52 -1.26 -5.06 119.66 113.98 2hgr s GLN 56 Ca 0.00 -1.16 -0.06 0.00 -1.95 0.00 0.00 55.36 52.19 2hgr s GLN 56 Cb 0.00 -1.61 0.20 0.00 -0.22 0.00 0.00 33.01 31.39 2hgr s GLN 56 CO 0.00 0.39 0.68 -1.01 -0.25 0.00 0.00 175.29 175.10 2hgr s HIS 57 N -1.02 3.70 -0.21 0.91 3.76 -1.24 -1.12 115.29 120.08 2hgr s HIS 57 Ca 0.09 -2.58 -0.28 0.00 -0.15 0.00 0.00 55.06 52.14 2hgr s HIS 57 Cb -0.10 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 30.14 2hgr s HIS 57 CO 0.04 -0.87 1.00 0.14 -0.85 0.00 0.00 174.74 174.19 2hgr s VAL 58 N -0.42 4.73 -0.63 -0.90 -7.23 -0.09 -4.66 120.40 111.20 2hgr s VAL 58 Ca 0.21 1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 62.06 2hgr s VAL 58 Cb -0.13 -4.28 0.01 0.00 0.56 0.00 0.00 36.38 32.54 2hgr s VAL 58 CO -0.07 -0.12 1.46 -2.16 -0.31 0.00 0.00 175.10 173.89 2hgr s PRO 59 N 2.89 3.13 -0.13 4.82 0.04 -1.26 -0.68 135.00 143.82 2hgr s PRO 59 Ca 0.43 0.25 -0.10 0.00 0.04 0.00 0.00 61.00 61.62 2hgr s PRO 59 Cb -0.16 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2hgr s PRO 59 CO 0.09 -2.16 0.21 0.08 0.04 0.00 0.00 177.00 175.25 2hgr s VAL 60 N 6.53 5.37 -0.29 -0.36 1.01 0.09 -4.86 120.40 127.89 2hgr s VAL 60 Ca 0.49 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.80 2hgr s VAL 60 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2hgr s VAL 60 CO 0.21 0.53 0.03 -0.47 0.00 0.00 0.00 175.10 175.40 2hgr s TYR 61 N -0.45 3.15 0.48 5.22 6.04 -1.24 -1.09 117.35 129.46 2hgr s TYR 61 Ca 0.15 -1.31 -0.19 0.00 0.04 0.00 0.00 57.07 55.76 2hgr s TYR 61 Cb -0.13 -2.18 -0.09 0.00 -1.04 0.00 0.00 41.96 38.52 2hgr s TYR 61 CO 0.04 -0.67 0.98 -1.50 -1.54 0.00 0.00 175.55 172.86 2hgr s ILE 62 N 1.41 4.31 0.04 3.14 2.07 -0.02 -4.85 121.20 127.30 2hgr s ILE 62 Ca 0.00 1.29 0.04 0.00 -1.41 0.00 0.00 60.65 60.58 2hgr s ILE 62 Cb -0.18 -3.60 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 2hgr s ILE 62 CO 0.00 -0.45 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.57 2hgr s THR 63 N -2.33 0.95 0.00 4.00 2.01 -1.26 -2.46 115.64 116.55 2hgr s THR 63 Ca 0.62 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2hgr s THR 63 Cb -0.11 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2hgr s THR 63 CO 0.22 -0.07 0.00 1.21 -0.69 0.00 0.00 174.62 175.29 2hgr n GLU 64 N 1.88 0.00 0.00 4.92 2.13 -1.26 -0.90 120.64 127.40 2hgr n GLU 64 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 2hgr n GLU 64 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 2hgr n GLU 64 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2hgr n ASN 65 N 0.00 0.00 0.00 4.31 6.94 -1.26 -0.89 115.26 124.36 2hgr n ASN 65 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2hgr n ASN 65 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2hgr n ASN 65 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2hgr n MET 66 N -0.18 0.81 0.04 -3.83 0.00 -0.08 -4.94 117.12 108.94 2hgr n MET 66 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 57.70 56.93 2hgr n MET 66 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 33.22 32.53 2hgr n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2hgr h VAL 67 N 1.79 0.00 -0.22 3.17 2.07 -0.42 -3.41 116.25 119.23 2hgr h VAL 67 Ca 0.00 0.00 -0.62 0.00 0.82 0.00 0.00 66.70 66.90 2hgr h VAL 67 Cb 0.76 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2hgr h VAL 67 CO 0.00 0.00 2.30 0.61 0.02 0.00 0.00 177.57 180.50 2hgr n GLY 68 N -1.10 2.82 3.10 2.17 0.00 -1.23 -4.16 105.19 106.79 2hgr n GLY 68 Ca -0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2hgr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hgr s HIS 69 N 5.46 0.15 -0.84 1.61 3.76 -1.13 -4.73 115.29 119.57 2hgr s HIS 69 Ca 0.56 -0.39 -0.21 0.00 -0.15 0.00 0.00 55.06 54.87 2hgr s HIS 69 Cb 0.10 -0.12 -0.19 0.00 1.11 0.00 0.00 32.58 33.48 2hgr s HIS 69 CO 0.06 -0.33 2.26 1.17 -0.85 0.00 0.00 174.74 177.05 2hgr n LYS 70 N 1.06 0.34 0.00 1.40 4.81 -1.24 -0.89 118.16 123.64 2hgr n LYS 70 Ca -0.21 -0.70 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 2hgr n LYS 70 Cb 0.57 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.68 2hgr n LYS 70 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2hgr n LEU 71 N 15.00 0.00 -0.23 3.14 4.77 -1.22 -1.00 117.00 137.46 2hgr n LEU 71 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2hgr n LEU 71 Cb 0.37 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2hgr n LEU 71 CO 0.68 0.00 0.36 0.61 -1.33 0.00 0.00 177.39 177.72 2hgr n GLY 72 N -0.17 -1.20 0.00 -0.72 0.00 -0.76 -0.88 105.19 101.47 2hgr n GLY 72 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2hgr n GLY 72 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hgr n GLU 73 N -4.91 0.00 -0.07 1.61 0.28 -0.17 -1.16 120.64 116.22 2hgr n GLU 73 Ca 0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.09 2hgr n GLU 73 Cb 0.25 -1.31 0.06 0.00 1.43 0.00 0.00 31.44 31.88 2hgr n GLU 73 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2hgr n PHE 74 N -0.70 0.18 -3.74 -1.84 3.01 -0.06 -5.00 117.46 109.31 2hgr n PHE 74 Ca 0.00 -0.52 -0.18 0.00 1.01 0.00 0.00 57.45 57.76 2hgr n PHE 74 Cb 0.00 -0.05 -0.17 0.00 -0.01 0.00 0.00 39.48 39.25 2hgr n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgr s ALA 75 N -1.09 0.19 0.78 4.37 0.00 -0.31 -5.01 121.76 120.70 2hgr s ALA 75 Ca 0.10 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2hgr s ALA 75 Cb 0.06 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.80 2hgr s ALA 75 CO 0.06 -0.29 1.10 -1.25 0.00 0.00 0.00 175.76 175.38 2hgr s PRO 76 N 1.59 2.13 0.09 0.00 0.04 -1.26 -4.99 135.00 132.60 2hgr s PRO 76 Ca -0.02 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2hgr s PRO 76 Cb -0.13 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2hgr s PRO 76 CO -0.03 -1.75 0.00 -2.37 0.04 0.00 0.00 177.00 172.89 2hgr n THR 77 N -3.56 0.33 0.00 1.26 5.66 -1.26 -4.84 114.28 111.87 2hgr n THR 77 Ca 0.09 0.11 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 2hgr n THR 77 Cb 0.53 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 2hgr n THR 77 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2hgr n ARG 78 N -3.13 2.62 0.00 1.09 5.12 -1.26 -5.07 116.66 116.03 2hgr n ARG 78 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2hgr n ARG 78 Cb 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 2hgr n ARG 78 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2hgr n THR 79 N 0.00 0.00 0.00 0.55 -1.04 -1.26 -5.18 114.28 107.35 2hgr n THR 79 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgr n THR 79 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgr n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgr n TYR 80 N 0.00 0.00 0.00 -1.42 9.36 -1.26 -5.31 117.16 118.53 2hgr n TYR 80 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2hgr n TYR 80 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2hgr n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95