#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n ARG 3 N 0.00 0.00 0.00 -0.52 1.74 -1.26 -5.01 116.66 111.61 2hgq n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgq n ARG 3 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 2hgq n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hgq n ALA 4 N -1.97 0.00 -1.13 7.54 0.00 -1.26 -5.06 120.51 118.63 2hgq n ALA 4 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 2hgq n ALA 4 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2hgq n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgq n LYS 5 N 0.00 0.97 0.00 0.00 5.02 -1.26 -4.67 118.16 118.22 2hgq n LYS 5 Ca 0.00 -1.68 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 2hgq n LYS 5 Cb 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.01 2hgq n LYS 5 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2hgq n THR 6 N 6.81 0.57 0.00 -0.18 -1.04 -1.26 -3.43 114.28 115.76 2hgq n THR 6 Ca 0.47 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 2hgq n THR 6 Cb 0.42 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2hgq n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hgq n GLY 7 N -1.04 -3.48 0.00 3.41 0.00 -1.26 -0.42 105.19 102.40 2hgq n GLY 7 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2hgq n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgq n VAL 8 N -1.28 0.00 0.00 1.61 0.24 -1.22 -0.89 118.33 116.78 2hgq n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgq n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2hgq n VAL 8 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2hgq n VAL 9 N -1.88 0.00 -0.32 3.34 0.31 0.44 -1.61 118.33 118.61 2hgq n VAL 9 Ca 0.00 1.35 0.02 0.00 -0.01 0.00 0.00 64.34 65.71 2hgq n VAL 9 Cb 0.00 -1.93 0.21 0.00 -0.91 0.00 0.00 33.84 31.21 2hgq n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2hgq h ARG 10 N 0.00 1.08 -0.64 5.55 2.43 0.16 0.35 114.38 123.30 2hgq h ARG 10 Ca 0.00 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2hgq h ARG 10 Cb 0.00 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 29.22 2hgq h ARG 10 CO 0.00 0.71 0.20 0.07 -1.51 0.00 0.00 179.97 179.45 2hgq h ARG 11 N 1.11 0.35 0.00 0.20 0.11 -0.87 0.11 114.38 115.39 2hgq h ARG 11 Ca 0.38 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.44 2hgq h ARG 11 Cb 0.11 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2hgq h ARG 11 CO -0.13 0.23 0.00 0.54 0.10 0.00 0.00 179.97 180.71 2hgq n ARG 12 N -5.05 0.00 -0.21 0.08 1.74 0.98 -1.27 116.66 112.93 2hgq n ARG 12 Ca 0.10 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.73 2hgq n ARG 12 Cb 0.32 -1.40 0.22 0.00 -1.02 0.00 0.00 32.46 30.58 2hgq n ARG 12 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgq n LYS 13 N -1.77 -0.05 0.31 5.56 4.01 0.17 0.77 118.16 127.17 2hgq n LYS 13 Ca 0.00 0.89 -0.12 0.00 -0.51 0.00 0.00 58.31 58.57 2hgq n LYS 13 Cb 0.00 -1.46 -0.06 0.00 -0.51 0.00 0.00 35.03 33.00 2hgq n LYS 13 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2hgq h HIS 14 N 0.00 -0.76 -1.10 2.13 3.86 -0.70 -0.89 115.15 117.70 2hgq h HIS 14 Ca 0.40 -0.02 0.30 0.00 -1.16 0.00 0.00 60.37 59.89 2hgq h HIS 14 Cb 0.89 0.25 -0.09 0.00 1.06 0.00 0.00 27.41 29.52 2hgq h HIS 14 CO -0.24 -0.47 0.72 -0.22 0.86 0.00 0.00 177.93 178.58 2hgq h LYS 15 N -1.01 0.28 -0.21 2.45 3.64 0.17 2.12 116.57 124.01 2hgq h LYS 15 Ca -0.08 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2hgq h LYS 15 Cb 0.62 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2hgq h LYS 15 CO 0.14 0.18 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.91 2hgq h LYS 16 N 0.28 -0.30 -0.92 1.90 3.64 -0.82 1.01 116.57 121.37 2hgq h LYS 16 Ca 0.61 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 60.26 2hgq h LYS 16 Cb 1.76 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 33.51 2hgq h LYS 16 CO -0.25 -0.20 0.36 0.82 -2.27 0.00 0.00 179.45 177.90 2hgq h ILE 17 N -0.31 0.35 -0.81 2.00 1.08 0.47 0.28 117.51 120.57 2hgq h ILE 17 Ca 0.04 -0.10 0.18 0.00 -0.39 0.00 0.00 64.86 64.59 2hgq h ILE 17 Cb 0.42 0.04 -0.15 0.00 -3.07 0.00 0.00 36.82 34.06 2hgq h ILE 17 CO -0.36 0.05 -0.11 -0.07 -0.69 0.00 0.00 178.15 176.97 2hgq h LEU 18 N 0.28 -0.60 -0.01 1.44 -0.00 0.37 0.16 115.31 116.95 2hgq h LEU 18 Ca 0.60 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 58.71 2hgq h LEU 18 Cb 1.24 0.45 -0.00 0.00 -0.00 0.00 0.00 40.66 42.35 2hgq h LEU 18 CO -0.61 -0.25 -0.02 0.50 -0.00 0.00 0.00 178.44 178.06 2hgq h LYS 19 N 0.03 0.03 -0.59 1.13 3.64 0.95 -3.15 116.57 118.61 2hgq h LYS 19 Ca 0.42 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.88 2hgq h LYS 19 Cb 0.70 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.43 2hgq h LYS 19 CO -0.79 0.57 -0.22 1.28 -2.27 0.00 0.00 179.45 178.02 2hgq n LEU 20 N -4.80 -0.35 -4.63 5.20 4.77 0.35 -2.88 117.00 114.66 2hgq n LEU 20 Ca -0.08 1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 56.49 2hgq n LEU 20 Cb 0.29 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2hgq n LEU 20 CO 0.34 -0.93 1.32 0.00 -1.33 0.00 0.00 177.39 176.80 2hgq s ALA 21 N -5.58 3.28 0.00 -1.18 0.00 -0.07 -4.94 121.76 113.27 2hgq s ALA 21 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2hgq s ALA 21 Cb 0.13 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2hgq s ALA 21 CO 0.42 -1.92 0.00 1.63 0.00 0.00 0.00 175.76 175.89 2hgq n LYS 22 N 7.60 0.00 -2.71 0.00 5.02 -1.14 -4.85 118.16 122.08 2hgq n LYS 22 Ca 0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2hgq n LYS 22 Cb 0.45 -0.20 0.10 0.00 -0.02 0.00 0.00 35.03 35.36 2hgq n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgq n GLY 23 N 0.73 0.07 2.98 0.72 0.00 -1.26 -4.94 105.19 103.48 2hgq n GLY 23 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2hgq n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgq n TYR 24 N 0.34 -3.71 -1.58 1.61 4.02 -1.26 -4.84 117.16 111.73 2hgq n TYR 24 Ca 0.02 -0.81 -0.58 0.00 -0.01 0.00 0.00 57.90 56.52 2hgq n TYR 24 Cb 0.72 -1.06 -0.08 0.00 -0.02 0.00 0.00 39.34 38.90 2hgq n TYR 24 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 2hgq n TRP 25 N -5.03 1.78 0.00 -0.72 -0.00 -1.26 -4.15 117.44 108.05 2hgq n TRP 25 Ca 0.13 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.22 2hgq n TRP 25 Cb 0.53 -2.42 0.00 0.00 -0.00 0.00 0.00 31.31 29.42 2hgq n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2hgq n GLY 26 N 5.24 0.00 0.12 5.87 0.00 -1.26 -1.09 105.19 114.07 2hgq n GLY 26 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2hgq n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgq n LEU 27 N 0.00 0.00 -0.47 0.99 4.32 -1.26 -4.66 117.00 115.91 2hgq n LEU 27 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.01 2hgq n LEU 27 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2hgq n LEU 27 CO 0.00 0.00 0.49 -2.11 -1.22 0.00 0.00 177.39 174.55 2hgq n ARG 28 N 0.00 1.52 0.00 3.23 1.85 -0.25 -0.87 116.66 122.15 2hgq n ARG 28 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 57.85 56.27 2hgq n ARG 28 Cb 0.00 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 2hgq n ARG 28 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2hgq n SER 29 N 0.01 0.00 -0.00 2.89 3.41 -1.22 -4.55 113.62 114.16 2hgq n SER 29 Ca 0.05 0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 2hgq n SER 29 Cb 0.25 -0.12 0.60 0.00 -0.26 0.00 0.00 64.21 64.68 2hgq n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hgq n LYS 30 N -1.31 0.08 0.00 4.33 4.01 -1.23 -4.64 118.16 119.40 2hgq n LYS 30 Ca 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2hgq n LYS 30 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 2hgq n LYS 30 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2hgq n SER 31 N -1.45 0.00 0.00 4.39 3.41 -0.05 -4.77 113.62 115.15 2hgq n SER 31 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2hgq n SER 31 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2hgq n SER 31 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hgq n PHE 32 N 0.57 0.00 0.00 7.33 3.01 -1.26 0.29 117.46 127.40 2hgq n PHE 32 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hgq n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hgq n PHE 32 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2hgq n ARG 33 N 0.00 0.00 0.31 -1.08 0.63 -1.26 0.60 116.66 115.86 2hgq n ARG 33 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 2hgq n ARG 33 Cb 0.00 -0.36 0.43 0.00 0.45 0.00 0.00 32.46 32.98 2hgq n ARG 33 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2hgq h LYS 34 N 0.00 0.00 0.00 -0.14 1.79 -1.40 1.36 116.57 118.18 2hgq h LYS 34 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hgq h LYS 34 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2hgq h LYS 34 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2hgq n ALA 35 N -1.68 -0.36 -0.26 3.86 0.00 0.86 -0.56 120.51 122.36 2hgq n ALA 35 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2hgq n ALA 35 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 2hgq n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgq n ARG 36 N -1.66 -0.21 0.00 0.00 1.74 0.45 -0.01 116.66 116.97 2hgq n ARG 36 Ca 0.00 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 2hgq n ARG 36 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2hgq n ARG 36 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2hgq n GLU 37 N -4.91 0.00 -0.25 5.56 1.02 -0.32 0.57 120.64 122.30 2hgq n GLU 37 Ca 0.05 0.75 0.22 0.00 -0.02 0.00 0.00 57.16 58.17 2hgq n GLU 37 Cb 0.23 -1.42 0.42 0.00 -0.02 0.00 0.00 31.44 30.64 2hgq n GLU 37 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hgq n THR 38 N -2.38 -0.33 0.33 2.62 -2.24 0.98 0.23 114.28 113.49 2hgq n THR 38 Ca 0.00 1.61 -0.13 0.00 -2.27 0.00 0.00 64.05 63.26 2hgq n THR 38 Cb 0.00 -2.56 -0.06 0.00 -2.10 0.00 0.00 70.33 65.61 2hgq n THR 38 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hgq h LEU 39 N 0.00 -0.71 -0.73 3.22 3.38 0.21 -0.24 115.31 120.44 2hgq h LEU 39 Ca 0.63 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.92 2hgq h LEU 39 Cb 1.61 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 42.41 2hgq h LEU 39 CO -0.62 -0.50 0.35 0.49 0.09 0.00 0.00 178.44 178.25 2hgq n PHE 40 N -4.34 0.81 0.00 1.13 3.01 0.63 0.23 117.46 118.94 2hgq n PHE 40 Ca -0.10 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.22 2hgq n PHE 40 Cb 0.33 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 38.54 2hgq n PHE 40 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgq n ALA 41 N -2.55 -0.15 -0.22 4.37 0.00 -0.50 -1.28 120.51 120.18 2hgq n ALA 41 Ca 0.27 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.92 2hgq n ALA 41 Cb 0.90 0.07 0.40 0.00 0.00 0.00 0.00 19.45 20.82 2hgq n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgq n ALA 42 N -1.21 0.69 -0.23 0.00 0.00 0.61 -0.55 120.51 119.83 2hgq n ALA 42 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2hgq n ALA 42 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2hgq n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 43 N -1.18 -2.61 0.56 0.00 0.00 0.27 -0.69 105.19 101.54 2hgq n GLY 43 Ca 0.26 0.04 0.38 0.00 0.00 0.00 0.00 46.02 46.70 2hgq n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hgq h ASN 44 N 0.00 0.00 0.06 1.61 2.35 0.55 -0.42 115.58 119.74 2hgq h ASN 44 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2hgq h ASN 44 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2hgq h ASN 44 CO 0.00 0.00 -0.03 1.88 -1.65 0.00 0.00 177.43 177.63 2hgq h TYR 45 N 0.00 -0.08 -1.50 1.19 0.05 -0.17 -0.61 116.97 115.85 2hgq h TYR 45 Ca 0.62 -0.00 0.44 0.00 0.05 0.00 0.00 58.73 59.84 2hgq h TYR 45 Cb 2.56 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 40.24 2hgq h TYR 45 CO 0.00 -0.05 1.05 0.00 -1.05 0.00 0.00 178.16 178.11 2hgq h ALA 46 N -1.95 3.25 -3.00 3.88 0.00 0.50 0.50 119.26 122.43 2hgq h ALA 46 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hgq h ALA 46 Cb 0.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2hgq h ALA 46 CO 0.01 -1.74 0.00 0.66 0.00 0.00 0.00 179.25 178.18 2hgq n TYR 47 N -4.24 0.00 -0.28 0.00 0.53 -0.31 -1.00 117.16 111.86 2hgq n TYR 47 Ca 0.35 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 57.33 2hgq n TYR 47 Cb 1.55 0.00 0.20 0.00 -1.03 0.00 0.00 39.34 40.06 2hgq n TYR 47 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2hgq n ALA 48 N -1.09 0.35 -0.08 -0.72 0.00 0.15 -1.29 120.51 117.84 2hgq n ALA 48 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2hgq n ALA 48 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2hgq n ALA 48 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hgq n HIS 49 N -5.18 0.00 0.23 0.00 8.25 -0.01 -0.88 115.22 117.64 2hgq n HIS 49 Ca 0.17 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 2hgq n HIS 49 Cb 0.56 -0.46 0.55 0.00 1.12 0.00 0.00 29.99 31.76 2hgq n HIS 49 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hgq h ARG 50 N 0.00 0.00 0.00 -0.41 -0.00 -0.69 -0.54 114.38 112.74 2hgq h ARG 50 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2hgq h ARG 50 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 2hgq h ARG 50 CO 0.00 0.16 -0.01 0.87 0.00 0.00 0.00 179.97 180.99 2hgq h LYS 51 N 0.00 -0.01 0.00 0.04 1.57 -0.68 -3.30 116.57 114.19 2hgq h LYS 51 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgq h LYS 51 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2hgq h LYS 51 CO 0.02 -0.01 -0.33 2.89 -0.57 0.00 0.00 179.45 181.45 2hgq n ARG 52 N -2.47 0.04 0.32 3.15 -4.01 -0.06 -4.04 116.66 109.60 2hgq n ARG 52 Ca -0.00 0.02 0.01 0.00 -1.04 0.00 0.00 57.85 56.84 2hgq n ARG 52 Cb 0.01 -1.53 0.05 0.00 -3.04 0.00 0.00 32.46 27.94 2hgq n ARG 52 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hgq h ARG 53 N 0.00 0.00 0.00 2.89 3.08 -1.17 0.15 114.38 119.33 2hgq h ARG 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hgq h ARG 53 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2hgq h ARG 53 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 2hgq n LYS 54 N -2.53 0.00 -0.36 0.04 4.01 -1.26 -1.15 118.16 116.91 2hgq n LYS 54 Ca 0.00 0.45 0.30 0.00 -0.51 0.00 0.00 58.31 58.55 2hgq n LYS 54 Cb 0.98 -1.34 0.60 0.00 -0.51 0.00 0.00 35.03 34.76 2hgq n LYS 54 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgq h ARG 55 N 0.00 0.22 0.04 1.97 -0.00 -1.04 0.35 114.38 115.91 2hgq h ARG 55 Ca 0.00 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.48 2hgq h ARG 55 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 29.88 2hgq h ARG 55 CO 0.00 0.15 -0.41 -0.44 0.00 0.00 0.00 179.97 179.27 2hgq h ASP 56 N 0.23 -1.24 -0.34 7.04 5.19 -0.93 -0.02 116.42 126.35 2hgq h ASP 56 Ca 0.65 0.14 0.04 0.00 -0.62 0.00 0.00 57.03 57.23 2hgq h ASP 56 Cb 1.98 0.46 -0.04 0.00 0.18 0.00 0.00 39.33 41.92 2hgq h ASP 56 CO -0.26 -0.41 0.12 -0.26 -3.12 0.00 0.00 179.24 175.31 2hgq h PHE 57 N -0.54 0.21 -0.07 4.55 -1.00 0.11 -0.57 116.94 119.64 2hgq h PHE 57 Ca 0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 2hgq h PHE 57 Cb 0.56 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2hgq h PHE 57 CO -0.46 0.09 -0.04 -2.13 -1.61 0.00 0.00 178.31 174.16 2hgq n ARG 58 N -5.02 -0.03 0.22 1.51 0.63 0.03 0.15 116.66 114.15 2hgq n ARG 58 Ca 0.01 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.23 2hgq n ARG 58 Cb 0.12 -0.61 -0.06 0.00 0.45 0.00 0.00 32.46 32.36 2hgq n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgq h ARG 59 N 0.00 -0.64 -0.00 -0.14 2.47 -0.64 -0.19 114.38 115.23 2hgq h ARG 59 Ca 0.01 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2hgq h ARG 59 Cb 0.03 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2hgq h ARG 59 CO -0.07 -0.43 -0.00 1.28 0.56 0.00 0.00 179.97 181.31 2hgq n LEU 60 N -4.21 -0.00 0.44 3.04 4.77 0.40 0.35 117.00 121.79 2hgq n LEU 60 Ca -0.08 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 2hgq n LEU 60 Cb 0.29 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2hgq n LEU 60 CO 0.18 -0.07 0.53 -0.50 -1.33 0.00 0.00 177.39 176.20 2hgq h TRP 61 N 0.00 -1.04 0.00 -1.77 4.06 -1.12 -0.99 115.95 115.09 2hgq h TRP 61 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2hgq h TRP 61 Cb 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 2hgq h TRP 61 CO -0.13 -0.64 0.00 -0.89 -3.56 0.00 0.00 178.44 173.22 2hgq n ILE 62 N -5.54 0.00 0.26 1.49 5.41 1.09 0.15 119.36 122.22 2hgq n ILE 62 Ca -0.15 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.50 2hgq n ILE 62 Cb 0.45 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.33 2hgq n ILE 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2hgq h VAL 63 N 0.00 0.00 -0.42 1.39 2.07 -0.85 -0.17 116.25 118.26 2hgq h VAL 63 Ca 0.00 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.39 2hgq h VAL 63 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 2hgq h VAL 63 CO 0.00 0.00 -0.13 0.54 0.02 0.00 0.00 177.57 178.00 2hgq n ARG 64 N -4.42 -0.06 0.27 1.57 1.74 0.41 0.87 116.66 117.04 2hgq n ARG 64 Ca -0.08 0.66 -0.12 0.00 -0.77 0.00 0.00 57.85 57.54 2hgq n ARG 64 Cb 0.27 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.68 2hgq n ARG 64 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 2hgq h ILE 65 N 0.00 0.01 -0.70 0.55 -2.65 -0.95 -1.48 117.51 112.29 2hgq h ILE 65 Ca 0.18 -0.45 0.12 0.00 1.03 0.00 0.00 64.86 65.74 2hgq h ILE 65 Cb 0.29 0.01 -0.12 0.00 -2.05 0.00 0.00 36.82 34.95 2hgq h ILE 65 CO -0.43 0.00 -0.24 0.59 0.03 0.00 0.00 178.15 178.10 2hgq n ASN 66 N -5.27 -0.39 -0.01 2.16 3.02 0.25 0.24 115.26 115.27 2hgq n ASN 66 Ca -0.09 1.21 -0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2hgq n ASN 66 Cb 0.30 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2hgq n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgq n ALA 67 N -3.67 -0.02 0.15 5.41 0.00 0.19 -0.95 120.51 121.63 2hgq n ALA 67 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 2hgq n ALA 67 Cb 0.30 0.44 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 2hgq n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgq h ALA 68 N -0.88 -0.32 -0.64 0.00 0.00 0.42 -0.29 119.26 117.55 2hgq h ALA 68 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2hgq h ALA 68 Cb 0.01 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 2hgq h ALA 68 CO -0.02 -0.69 0.10 0.00 0.00 0.00 0.00 179.25 178.63 2hgq h ARG 70 N 0.21 -0.09 -0.71 0.00 3.08 -1.09 -0.76 114.38 115.01 2hgq h ARG 70 Ca 0.34 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.64 2hgq h ARG 70 Cb 0.55 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.49 2hgq h ARG 70 CO -0.47 0.45 0.16 1.04 -1.07 0.00 0.00 179.97 180.08 2hgq n GLN 71 N -4.85 -0.05 0.00 0.04 6.02 -0.12 -1.47 117.38 116.95 2hgq n GLN 71 Ca -0.08 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 2hgq n GLN 71 Cb 0.29 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2hgq n GLN 71 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2hgq n HIS 72 N -4.83 0.00 0.00 1.08 8.25 -0.15 -5.00 115.22 114.57 2hgq n HIS 72 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2hgq n HIS 72 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 2hgq n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgq n GLY 73 N 1.09 0.00 3.50 -1.41 0.00 -0.31 -5.11 105.19 102.95 2hgq n GLY 73 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hgq n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgq s LEU 74 N -3.53 -0.68 0.00 0.99 1.43 -1.17 -4.93 118.68 110.79 2hgq s LEU 74 Ca 0.00 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2hgq s LEU 74 Cb 0.00 2.00 0.00 0.00 0.03 0.00 0.00 46.19 48.22 2hgq s LEU 74 CO 0.00 -0.22 0.00 0.59 0.23 0.00 0.00 176.35 176.95 2hgq n ASN 75 N 4.45 0.00 0.00 2.29 3.02 -1.26 -2.58 115.26 121.18 2hgq n ASN 75 Ca -0.20 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.26 2hgq n ASN 75 Cb 0.56 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 2hgq n ASN 75 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2hgq h TYR 76 N 0.00 -0.11 -0.71 3.10 -1.99 -1.97 0.23 116.97 115.52 2hgq h TYR 76 Ca 0.00 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 2hgq h TYR 76 Cb 0.00 0.04 -0.10 0.00 2.00 0.00 0.00 36.73 38.66 2hgq h TYR 76 CO 0.00 0.37 -0.57 1.03 -0.00 0.00 0.00 178.16 178.99 2hgq h SER 77 N -0.93 -2.01 0.00 3.88 0.87 -1.98 0.50 113.55 113.88 2hgq h SER 77 Ca -0.01 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2hgq h SER 77 Cb 0.53 0.86 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2hgq h SER 77 CO 0.02 -0.32 0.00 0.35 -0.53 0.00 0.00 176.83 176.35 2hgq n THR 78 N -5.31 0.00 -0.25 2.23 -2.24 -1.25 -1.03 114.28 106.42 2hgq n THR 78 Ca -0.01 0.86 0.00 0.00 -2.27 0.00 0.00 64.05 62.63 2hgq n THR 78 Cb 0.30 -1.67 0.07 0.00 -2.10 0.00 0.00 70.33 66.93 2hgq n THR 78 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2hgq h PHE 79 N 0.00 -0.52 0.42 4.78 3.57 -0.67 0.52 116.94 125.04 2hgq h PHE 79 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2hgq h PHE 79 Cb 0.00 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2hgq h PHE 79 CO 0.00 -0.34 -0.41 0.82 -2.23 0.00 0.00 178.31 176.16 2hgq h ILE 80 N -0.03 0.00 -1.23 1.41 2.04 -0.98 0.66 117.51 119.37 2hgq h ILE 80 Ca 0.33 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.55 2hgq h ILE 80 Cb 0.55 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 2hgq h ILE 80 CO -0.76 0.00 0.84 -0.74 0.00 0.00 0.00 178.15 177.49 2hgq h HIS 81 N -0.82 0.35 0.23 1.37 2.76 0.31 0.26 115.15 119.60 2hgq h HIS 81 Ca -0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2hgq h HIS 81 Cb 0.71 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2hgq h HIS 81 CO -0.21 -0.02 -0.27 0.78 -1.30 0.00 0.00 177.93 176.91 2hgq h GLY 82 N 0.16 -1.02 0.91 5.26 0.00 0.24 0.17 103.07 108.78 2hgq h GLY 82 Ca 0.66 0.47 0.13 0.00 0.00 0.00 0.00 47.33 48.59 2hgq h GLY 82 CO -0.20 -0.33 0.42 1.41 0.00 0.00 0.00 176.54 177.84 2hgq h LEU 83 N -0.51 0.00 0.00 3.11 4.07 0.71 -0.64 115.31 122.05 2hgq h LEU 83 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2hgq h LEU 83 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2hgq h LEU 83 CO -0.05 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.60 2hgq n LYS 84 N -3.92 0.00 -0.31 1.13 4.76 -0.20 -2.42 118.16 117.21 2hgq n LYS 84 Ca 0.08 0.42 0.15 0.00 -2.87 0.00 0.00 58.31 56.09 2hgq n LYS 84 Cb 0.61 -1.41 0.32 0.00 -1.84 0.00 0.00 35.03 32.72 2hgq n LYS 84 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2hgq h LYS 85 N 0.00 0.18 -4.91 1.97 3.64 -0.60 -3.40 116.57 113.45 2hgq h LYS 85 Ca 0.00 -0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.71 2hgq h LYS 85 Cb 0.00 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2hgq h LYS 85 CO 0.00 0.12 0.15 0.00 -2.27 0.00 0.00 179.45 177.44 2hgq n ALA 86 N -2.70 -2.71 -1.00 5.00 0.00 -0.28 -5.01 120.51 113.81 2hgq n ALA 86 Ca 0.23 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2hgq n ALA 86 Cb 0.74 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2hgq n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 87 N 1.61 -1.24 0.11 0.00 0.00 -1.26 -4.65 105.19 99.76 2hgq n GLY 87 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2hgq n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hgq n ILE 88 N 0.00 0.00 -3.62 -0.61 2.08 -1.26 -4.14 119.36 111.80 2hgq n ILE 88 Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 2hgq n ILE 88 Cb 0.00 -0.39 -0.16 0.00 -0.75 0.00 0.00 39.64 38.33 2hgq n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2hgq s GLU 89 N -1.76 0.25 -0.33 0.38 -1.05 -1.26 -5.09 118.70 109.84 2hgq s GLU 89 Ca 0.00 -0.32 -0.03 0.00 -0.15 0.00 0.00 54.97 54.47 2hgq s GLU 89 Cb 0.00 -1.73 0.19 0.00 -0.44 0.00 0.00 34.13 32.15 2hgq s GLU 89 CO 0.00 -0.77 0.86 0.08 0.95 0.00 0.00 175.26 176.38 2hgq s VAL 90 N 2.04 -0.56 0.35 1.83 1.01 -1.26 -4.77 120.40 119.05 2hgq s VAL 90 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2hgq s VAL 90 Cb -0.16 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2hgq s VAL 90 CO -0.17 0.00 -0.00 -0.62 0.00 0.00 0.00 175.10 174.31 2hgq s ASP 91 N 2.43 3.17 0.08 3.32 2.15 -1.26 -5.09 116.67 121.48 2hgq s ASP 91 Ca 0.18 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.85 2hgq s ASP 91 Cb -0.03 -0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.34 2hgq s ASP 91 CO -0.18 -0.45 0.00 -1.14 -0.17 0.00 0.00 175.17 173.23 2hgq n ARG 92 N -0.78 0.00 -0.20 4.34 0.63 -1.26 -4.69 116.66 114.70 2hgq n ARG 92 Ca -0.04 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.79 2hgq n ARG 92 Cb 0.66 -0.15 -0.02 0.00 0.45 0.00 0.00 32.46 33.40 2hgq n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2hgq n LYS 93 N -2.95 0.38 0.00 -0.14 4.76 -1.26 0.29 118.16 119.24 2hgq n LYS 93 Ca 0.00 -0.74 0.00 0.00 -2.87 0.00 0.00 58.31 54.70 2hgq n LYS 93 Cb 0.10 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 2hgq n LYS 93 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2hgq n ASN 94 N 5.34 0.00 -0.24 4.39 3.02 -1.26 -4.95 115.26 121.56 2hgq n ASN 94 Ca 0.13 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.74 2hgq n ASN 94 Cb 0.07 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.37 2hgq n ASN 94 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2hgq n LEU 95 N 0.00 -0.20 0.00 3.41 4.77 0.15 0.24 117.00 125.36 2hgq n LEU 95 Ca 0.00 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2hgq n LEU 95 Cb 0.00 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2hgq n LEU 95 CO 0.00 -1.14 0.31 0.00 -1.33 0.00 0.00 177.39 175.23 2hgq n ALA 96 N -3.64 -0.08 0.00 -1.18 0.00 -1.26 -1.09 120.51 113.26 2hgq n ALA 96 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2hgq n ALA 96 Cb 0.39 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2hgq n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hgq n ASP 97 N -1.04 0.00 -0.03 0.00 9.92 0.67 0.20 116.55 126.27 2hgq n ASP 97 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 2hgq n ASP 97 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 2hgq n ASP 97 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2hgq h LEU 98 N 0.00 0.18 -1.00 0.64 -0.00 -0.94 0.19 115.31 114.38 2hgq h LEU 98 Ca 0.00 -0.30 0.38 0.00 -0.00 0.00 0.00 57.88 57.96 2hgq h LEU 98 Cb 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 40.66 40.43 2hgq h LEU 98 CO 0.00 0.44 0.44 0.00 -0.00 0.00 0.00 178.44 179.32 2hgq h ALA 99 N 0.75 1.96 -0.24 1.53 0.00 0.39 -0.66 119.26 122.99 2hgq h ALA 99 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2hgq h ALA 99 Cb 0.34 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2hgq h ALA 99 CO 0.00 -0.85 0.00 0.28 0.00 0.00 0.00 179.25 178.68 2hgq n VAL 100 N -5.29 0.00 -0.29 0.00 0.31 -0.33 -4.30 118.33 108.43 2hgq n VAL 100 Ca 0.35 0.83 -0.03 0.00 -0.01 0.00 0.00 64.34 65.48 2hgq n VAL 100 Cb 1.16 -1.78 0.09 0.00 -0.91 0.00 0.00 33.84 32.40 2hgq n VAL 100 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2hgq h ARG 101 N 0.00 0.98 -2.82 5.55 0.11 -0.59 -3.36 114.38 114.25 2hgq h ARG 101 Ca 0.00 -0.06 -0.61 0.00 0.10 0.00 0.00 59.98 59.41 2hgq h ARG 101 Cb 0.00 -0.22 -0.40 0.00 1.11 0.00 0.00 29.97 30.45 2hgq h ARG 101 CO 0.00 0.65 -0.73 -1.21 0.10 0.00 0.00 179.97 178.78 2hgq s GLU 102 N -6.12 1.85 0.31 0.08 8.01 -0.29 -4.93 118.70 117.62 2hgq s GLU 102 Ca -0.13 -2.85 0.17 0.00 0.01 0.00 0.00 54.97 52.17 2hgq s GLU 102 Cb 0.16 -2.65 1.14 0.00 -4.31 0.00 0.00 34.13 28.46 2hgq s GLU 102 CO 0.78 -1.32 1.35 -0.35 0.01 0.00 0.00 175.26 175.73 2hgq n PRO 103 N 2.34 -0.05 0.25 0.39 -0.04 -1.26 0.40 135.00 137.03 2hgq n PRO 103 Ca 0.23 1.18 -0.10 0.00 -0.04 0.00 0.00 63.50 64.77 2hgq n PRO 103 Cb 0.40 -2.11 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 2hgq n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2hgq h GLN 104 N 0.00 -0.62 -0.54 0.54 4.20 -1.91 0.17 115.11 116.95 2hgq h GLN 104 Ca 0.72 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.55 2hgq h GLN 104 Cb 1.89 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 29.73 2hgq h GLN 104 CO -0.66 -0.42 -0.21 1.55 -0.67 0.00 0.00 178.83 178.42 2hgq n VAL 105 N -3.94 -0.29 0.05 -0.54 3.14 1.31 0.12 118.33 118.18 2hgq n VAL 105 Ca -0.08 1.27 -0.12 0.00 -2.96 0.00 0.00 64.34 62.44 2hgq n VAL 105 Cb 0.26 -1.67 -0.09 0.00 -1.06 0.00 0.00 33.84 31.28 2hgq n VAL 105 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 2hgq h PHE 106 N 0.00 -0.16 -0.82 1.45 3.57 -0.92 -0.77 116.94 119.29 2hgq h PHE 106 Ca 0.18 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.83 2hgq h PHE 106 Cb 0.32 0.05 -0.15 0.00 2.79 0.00 0.00 35.95 38.97 2hgq h PHE 106 CO -0.48 0.29 -0.25 0.00 -2.23 0.00 0.00 178.31 175.64 2hgq n ALA 107 N -2.47 0.08 0.05 2.41 0.00 0.32 -0.98 120.51 119.92 2hgq n ALA 107 Ca -0.08 0.87 -0.23 0.00 0.00 0.00 0.00 53.44 54.00 2hgq n ALA 107 Cb 0.26 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 2hgq n ALA 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hgq h GLU 108 N 0.00 0.36 -1.06 0.00 9.09 -1.10 -0.88 114.58 120.99 2hgq h GLU 108 Ca 0.35 -0.61 0.41 0.00 0.05 0.00 0.00 59.36 59.57 2hgq h GLU 108 Cb 0.55 0.23 -0.17 0.00 -1.65 0.00 0.00 28.75 27.71 2hgq h GLU 108 CO -0.83 1.29 0.60 -0.07 0.05 0.00 0.00 179.01 180.05 2hgq h LEU 109 N 0.06 0.33 0.00 3.06 3.38 -0.53 0.57 115.31 122.18 2hgq h LEU 109 Ca -0.36 0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2hgq h LEU 109 Cb 2.06 0.23 0.00 0.00 0.09 0.00 0.00 40.66 43.04 2hgq h LEU 109 CO 0.15 -0.36 0.00 0.52 0.09 0.00 0.00 178.44 178.84 2hgq n VAL 110 N -5.14 0.00 -0.02 1.22 0.31 -0.15 -0.79 118.33 113.76 2hgq n VAL 110 Ca 0.37 0.93 -0.01 0.00 -0.01 0.00 0.00 64.34 65.63 2hgq n VAL 110 Cb 1.28 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 2hgq n VAL 110 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2hgq n GLU 111 N -0.51 -0.02 0.19 5.55 0.28 0.18 0.21 120.64 126.51 2hgq n GLU 111 Ca 0.00 0.12 -0.08 0.00 -0.16 0.00 0.00 57.16 57.04 2hgq n GLU 111 Cb 0.00 -0.17 -0.04 0.00 1.43 0.00 0.00 31.44 32.65 2hgq n GLU 111 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2hgq h ARG 112 N 0.00 -0.50 -0.75 3.44 2.43 -1.21 -1.54 114.38 116.26 2hgq h ARG 112 Ca 0.01 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.38 2hgq h ARG 112 Cb 0.02 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.54 2hgq h ARG 112 CO -0.05 -0.33 -0.11 0.00 -1.51 0.00 0.00 179.97 177.96 2hgq n ALA 113 N -2.36 0.25 -0.10 2.80 0.00 0.56 0.21 120.51 121.88 2hgq n ALA 113 Ca -0.06 0.82 -0.06 0.00 0.00 0.00 0.00 53.44 54.14 2hgq n ALA 113 Cb 0.21 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.14 2hgq n ALA 113 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2hgq h LYS 114 N 0.00 0.04 -0.33 0.00 2.10 -0.29 0.59 116.57 118.68 2hgq h LYS 114 Ca 0.39 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 59.05 2hgq h LYS 114 Cb 0.69 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 2hgq h LYS 114 CO -0.75 0.02 0.20 0.00 -2.00 0.00 0.00 179.45 176.93 2hgq h ALA 115 N 1.33 0.41 -0.75 0.07 0.00 0.34 -0.55 119.26 120.11 2hgq h ALA 115 Ca 0.17 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.29 2hgq h ALA 115 Cb 0.25 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 2hgq h ALA 115 CO -0.33 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 178.84 2hgq n ALA 116 N -2.20 0.43 0.05 0.00 0.00 0.19 0.47 120.51 119.45 2hgq n ALA 116 Ca -0.01 0.80 -0.10 0.00 0.00 0.00 0.00 53.44 54.13 2hgq n ALA 116 Cb 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 2hgq n ALA 116 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2hgq h GLN 117 N 0.00 -0.21 0.00 0.00 1.08 -0.62 -3.38 115.11 111.97 2hgq h GLN 117 Ca 0.48 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 2hgq h GLN 117 Cb 1.03 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2hgq h GLN 117 CO -0.69 0.20 0.00 0.41 -0.95 0.00 0.00 178.83 177.81