#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s HIS 3 N 0.00 3.85 0.00 -0.14 5.04 -1.26 -4.83 115.29 117.95 2hgq s HIS 3 Ca 0.00 1.67 0.00 0.00 -1.54 0.00 0.00 55.06 55.19 2hgq s HIS 3 Cb 0.00 -2.80 0.00 0.00 0.04 0.00 0.00 32.58 29.82 2hgq s HIS 3 CO 0.00 0.43 0.00 -0.11 -2.34 0.00 0.00 174.74 172.72 2hgq n LEU 4 N 1.28 0.00 -4.50 8.88 0.00 -1.26 -5.07 117.00 116.33 2hgq n LEU 4 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.57 2hgq n LEU 4 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.81 2hgq n LEU 4 CO 0.46 0.00 2.11 1.17 0.00 0.00 0.00 177.39 181.13 2hgq n LYS 5 N 0.00 0.43 -4.32 1.96 0.00 -1.26 -4.84 118.16 110.13 2hgq n LYS 5 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 58.31 58.14 2hgq n LYS 5 Cb 0.00 -2.23 -0.15 0.00 0.00 0.00 0.00 35.03 32.65 2hgq n LYS 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2hgq s SER 6 N 9.87 1.05 0.40 3.14 1.04 -1.26 -5.16 113.70 122.78 2hgq s SER 6 Ca 1.21 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 57.53 2hgq s SER 6 Cb -0.87 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.04 2hgq s SER 6 CO 0.42 0.06 0.41 0.61 0.98 0.00 0.00 173.24 175.71 2hgq n GLY 7 N 3.25 2.46 0.34 7.32 0.00 -1.26 -4.86 105.19 112.45 2hgq n GLY 7 Ca -0.17 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.61 2hgq n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 8 N -1.61 0.00 -3.64 1.61 0.63 -1.26 -4.84 116.66 107.55 2hgq n ARG 8 Ca 0.04 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.58 2hgq n ARG 8 Cb 0.43 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.23 2hgq n ARG 8 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2hgq s LYS 9 N 0.00 3.47 0.24 -0.14 1.02 -1.26 -5.08 119.74 117.98 2hgq s LYS 9 Ca 0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2hgq s LYS 9 Cb 0.00 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2hgq s LYS 9 CO 0.00 -0.37 0.21 -0.51 -0.92 0.00 0.00 175.35 173.76 2hgq s LEU 10 N 1.65 1.15 0.00 3.17 1.43 -1.26 -5.02 118.68 119.80 2hgq s LEU 10 Ca 0.05 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 2hgq s LEU 10 Cb -0.17 0.63 0.00 0.00 0.03 0.00 0.00 46.19 46.68 2hgq s LEU 10 CO 0.07 -0.94 0.02 -3.20 0.23 0.00 0.00 176.35 172.54 2hgq n ASN 11 N -0.56 3.43 0.00 2.29 2.85 -1.26 -5.00 115.26 117.01 2hgq n ASN 11 Ca 0.02 -3.28 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 2hgq n ASN 11 Cb 0.65 0.35 0.00 0.00 1.24 0.00 0.00 39.78 42.01 2hgq n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2hgq n ARG 12 N -1.33 0.00 -3.60 1.20 1.74 -1.26 -4.65 116.66 108.76 2hgq n ARG 12 Ca -0.21 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 2hgq n ARG 12 Cb 0.66 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.04 2hgq n ARG 12 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2hgq s HIS 13 N 0.00 -0.49 0.18 -1.55 5.65 -1.26 -5.01 115.29 112.81 2hgq s HIS 13 Ca 0.00 0.94 0.05 0.00 0.25 0.00 0.00 55.06 56.30 2hgq s HIS 13 Cb 0.00 0.29 0.54 0.00 -1.18 0.00 0.00 32.58 32.23 2hgq s HIS 13 CO 0.00 -0.24 0.85 -1.13 -0.65 0.00 0.00 174.74 173.57 2hgq n SER 14 N 3.81 0.04 0.03 9.88 3.41 -1.26 0.83 113.62 130.36 2hgq n SER 14 Ca -0.17 0.91 -0.13 0.00 -0.26 0.00 0.00 58.87 59.22 2hgq n SER 14 Cb 0.57 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 2hgq n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hgq h SER 15 N 0.00 -0.10 -0.55 4.04 4.64 -1.97 -0.57 113.55 119.04 2hgq h SER 15 Ca 0.38 -0.41 0.11 0.00 -0.47 0.00 0.00 61.79 61.40 2hgq h SER 15 Cb 0.89 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.90 2hgq h SER 15 CO -0.47 0.39 -0.13 0.45 -0.87 0.00 0.00 176.83 176.20 2hgq h HIS 16 N -0.62 -0.27 0.00 4.77 -0.00 0.04 -0.38 115.15 118.68 2hgq h HIS 16 Ca -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2hgq h HIS 16 Cb 0.50 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 2hgq h HIS 16 CO 0.08 -0.23 0.00 2.89 -0.00 0.00 0.00 177.93 180.67 2hgq n ARG 17 N -5.38 0.00 -0.33 2.45 1.85 0.28 -0.93 116.66 114.61 2hgq n ARG 17 Ca 0.06 0.53 0.18 0.00 -1.00 0.00 0.00 57.85 57.62 2hgq n ARG 17 Cb 0.29 -1.42 0.35 0.00 -1.05 0.00 0.00 32.46 30.64 2hgq n ARG 17 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2hgq h LEU 18 N 0.00 -0.20 -0.32 2.89 -0.00 -0.98 1.20 115.31 117.89 2hgq h LEU 18 Ca 0.00 0.26 0.04 0.00 -0.00 0.00 0.00 57.88 58.17 2hgq h LEU 18 Cb 0.00 0.39 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 2hgq h LEU 18 CO 0.00 -0.33 -0.36 0.00 -0.00 0.00 0.00 178.44 177.75 2hgq h ALA 19 N 1.94 -0.57 0.13 1.53 0.00 -0.57 -0.52 119.26 121.20 2hgq h ALA 19 Ca 0.64 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 2hgq h ALA 19 Cb 1.42 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.23 2hgq h ALA 19 CO -0.83 -0.76 -0.10 1.25 0.00 0.00 0.00 179.25 178.82 2hgq h LEU 20 N -0.21 -0.26 -0.29 0.00 7.12 0.32 -0.20 115.31 121.80 2hgq h LEU 20 Ca 0.06 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.12 2hgq h LEU 20 Cb 0.36 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 2hgq h LEU 20 CO -0.42 -0.14 -0.14 -1.22 -0.13 0.00 0.00 178.44 176.39 2hgq n TYR 21 N -2.83 -0.06 0.00 1.25 0.53 0.30 0.67 117.16 117.02 2hgq n TYR 21 Ca -0.03 0.36 0.00 0.00 -1.02 0.00 0.00 57.90 57.21 2hgq n TYR 21 Cb 0.09 -0.56 0.00 0.00 -1.03 0.00 0.00 39.34 37.84 2hgq n TYR 21 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2hgq n ARG 22 N -4.39 0.00 -0.23 -0.72 1.74 -0.22 -0.59 116.66 112.25 2hgq n ARG 22 Ca 0.02 0.43 0.05 0.00 -0.77 0.00 0.00 57.85 57.58 2hgq n ARG 22 Cb 0.09 -1.41 0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2hgq n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2hgq n ASN 23 N -1.80 -0.20 0.22 0.55 2.85 0.21 0.47 115.26 117.56 2hgq n ASN 23 Ca 0.00 1.10 -0.09 0.00 -0.11 0.00 0.00 54.58 55.48 2hgq n ASN 23 Cb 0.00 -0.34 -0.04 0.00 1.24 0.00 0.00 39.78 40.64 2hgq n ASN 23 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2hgq h GLN 24 N 0.00 -0.55 -0.60 1.20 4.20 -0.93 -0.54 115.11 117.89 2hgq h GLN 24 Ca 0.32 0.04 0.14 0.00 0.06 0.00 0.00 58.65 59.21 2hgq h GLN 24 Cb 0.52 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 2hgq h GLN 24 CO -0.65 -0.37 -0.08 0.00 -0.67 0.00 0.00 178.83 177.07 2hgq n ALA 25 N -2.40 0.22 0.09 3.87 0.00 0.18 0.27 120.51 122.73 2hgq n ALA 25 Ca -0.07 0.65 -0.04 0.00 0.00 0.00 0.00 53.44 53.98 2hgq n ALA 25 Cb 0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 2hgq n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2hgq h LYS 26 N 0.00 -0.23 -0.90 0.00 1.57 -0.81 -0.33 116.57 115.86 2hgq h LYS 26 Ca 0.32 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.37 2hgq h LYS 26 Cb 0.58 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.80 2hgq h LYS 26 CO -0.59 -0.16 0.30 0.77 -0.57 0.00 0.00 179.45 179.21 2hgq h SER 27 N -0.24 0.11 0.80 0.86 0.02 0.15 0.15 113.55 115.39 2hgq h SER 27 Ca -0.02 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2hgq h SER 27 Cb 0.19 0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.98 2hgq h SER 27 CO 0.02 -0.14 -0.38 0.25 -1.14 0.00 0.00 176.83 175.44 2hgq h LEU 28 N 0.24 -0.91 -0.72 5.07 7.12 -1.00 0.29 115.31 125.40 2hgq h LEU 28 Ca 0.59 0.03 0.22 0.00 0.13 0.00 0.00 57.88 58.85 2hgq h LEU 28 Cb 1.21 0.23 -0.13 0.00 -0.53 0.00 0.00 40.66 41.44 2hgq h LEU 28 CO -0.64 -0.61 0.11 0.18 -0.13 0.00 0.00 178.44 177.34 2hgq n LEU 29 N -5.06 0.00 0.12 2.25 4.77 -0.14 0.17 117.00 119.11 2hgq n LEU 29 Ca -0.13 1.21 -0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2hgq n LEU 29 Cb 0.42 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2hgq n LEU 29 CO 0.32 -1.26 0.73 0.74 -1.33 0.00 0.00 177.39 176.58 2hgq h THR 30 N 0.00 0.54 -0.24 -5.08 2.02 0.82 -3.33 112.91 107.64 2hgq h THR 30 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 2hgq h THR 30 Cb 1.08 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2hgq h THR 30 CO -0.65 0.00 0.00 1.41 0.37 0.00 0.00 175.52 176.65 2hgq n HIS 31 N -5.33 0.29 0.00 3.16 8.25 0.45 -4.98 115.22 117.07 2hgq n HIS 31 Ca -0.07 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2hgq n HIS 31 Cb 0.24 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2hgq n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgq n GLY 32 N 1.27 0.86 2.86 -1.41 0.00 0.41 -4.77 105.19 104.41 2hgq n GLY 32 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2hgq n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hgq s ARG 33 N 0.00 0.01 0.05 1.61 1.70 -1.26 -0.15 118.95 120.90 2hgq s ARG 33 Ca 0.00 0.11 -0.01 0.00 -0.47 0.00 0.00 55.73 55.36 2hgq s ARG 33 Cb 0.00 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.26 2hgq s ARG 33 CO 0.00 -0.07 -0.03 0.42 -1.08 0.00 0.00 175.30 174.54 2hgq s ILE 34 N 0.44 0.22 -0.20 4.99 -1.09 0.04 -4.94 121.20 120.66 2hgq s ILE 34 Ca -0.04 -1.61 -0.04 0.00 -2.23 0.00 0.00 60.65 56.73 2hgq s ILE 34 Cb -0.05 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.56 2hgq s ILE 34 CO -0.01 -0.88 -0.02 0.42 -1.23 0.00 0.00 174.94 173.22 2hgq s THR 35 N -3.35 3.80 0.00 2.92 -4.23 -1.26 -0.92 115.64 112.60 2hgq s THR 35 Ca 0.02 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2hgq s THR 35 Cb 0.04 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2hgq s THR 35 CO -0.08 0.44 0.00 0.35 -0.54 0.00 0.00 174.62 174.79 2hgq n THR 36 N 4.24 0.00 -4.02 3.99 -2.24 -0.36 -4.97 114.28 110.92 2hgq n THR 36 Ca -0.17 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 2hgq n THR 36 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 2hgq n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hgq s THR 37 N -1.33 4.86 0.00 4.28 -4.23 -1.26 -0.86 115.64 117.09 2hgq s THR 37 Ca 0.00 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2hgq s THR 37 Cb 0.00 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2hgq s THR 37 CO 0.00 -0.03 0.00 0.52 -0.54 0.00 0.00 174.62 174.57 2hgq n VAL 38 N -0.20 0.00 0.27 2.29 0.31 -0.41 0.14 118.33 120.73 2hgq n VAL 38 Ca -0.08 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.41 2hgq n VAL 38 Cb 0.53 0.00 0.64 0.00 -0.91 0.00 0.00 33.84 34.11 2hgq n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2hgq h PRO 39 N 0.00 0.00 -0.90 5.55 0.11 -1.97 -1.34 132.00 133.46 2hgq h PRO 39 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.26 2hgq h PRO 39 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2hgq h PRO 39 CO 0.00 0.04 -0.31 1.63 -0.21 0.00 0.00 178.00 179.15 2hgq n LYS 40 N -3.16 -0.17 0.00 1.05 5.02 0.37 0.58 118.16 121.85 2hgq n LYS 40 Ca 0.00 1.39 0.00 0.00 -2.02 0.00 0.00 58.31 57.68 2hgq n LYS 40 Cb 0.33 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2hgq n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgq n ALA 41 N -3.57 -0.33 -0.01 7.82 0.00 -0.73 -1.16 120.51 122.54 2hgq n ALA 41 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.54 2hgq n ALA 41 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 2hgq n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgq n LYS 42 N -1.58 -0.01 -0.08 0.00 4.76 0.20 0.59 118.16 122.04 2hgq n LYS 42 Ca 0.00 0.22 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2hgq n LYS 42 Cb 0.00 -0.34 -0.05 0.00 -1.84 0.00 0.00 35.03 32.81 2hgq n LYS 42 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2hgq h GLU 43 N 0.00 0.42 -1.22 1.97 4.57 -1.10 -1.17 114.58 118.05 2hgq h GLU 43 Ca 0.00 -0.15 0.35 0.00 -1.18 0.00 0.00 59.36 58.39 2hgq h GLU 43 Cb 0.01 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 2hgq h GLU 43 CO -0.03 0.63 0.85 1.25 -1.18 0.00 0.00 179.01 180.52 2hgq h LEU 44 N 0.18 0.15 0.09 1.64 7.12 0.17 1.39 115.31 126.04 2hgq h LEU 44 Ca 0.06 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 2hgq h LEU 44 Cb 0.45 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 2hgq h LEU 44 CO 0.02 0.00 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.20 2hgq h ARG 45 N 0.12 -0.11 -0.76 1.25 2.43 0.28 0.03 114.38 117.61 2hgq h ARG 45 Ca 0.63 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.99 2hgq h ARG 45 Cb 2.21 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 31.64 2hgq h ARG 45 CO -0.13 -0.08 -0.07 0.41 -1.51 0.00 0.00 179.97 178.59 2hgq n GLY 46 N -0.87 -1.13 0.02 2.80 0.00 0.46 -0.78 105.19 105.69 2hgq n GLY 46 Ca -0.01 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.77 2hgq n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hgq h PHE 47 N 0.00 -0.04 -1.04 1.61 3.57 -0.85 -0.97 116.94 119.23 2hgq h PHE 47 Ca 0.42 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 62.22 2hgq h PHE 47 Cb 0.78 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 2hgq h PHE 47 CO -0.47 -0.02 0.78 0.28 -2.23 0.00 0.00 178.31 176.64 2hgq h VAL 48 N -0.09 0.43 0.00 1.41 2.07 -0.97 0.69 116.25 119.79 2hgq h VAL 48 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hgq h VAL 48 Cb 0.03 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2hgq h VAL 48 CO 0.01 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.93 2hgq n ASP 49 N -4.13 0.00 -0.37 0.57 2.03 0.04 -0.85 116.55 113.85 2hgq n ASP 49 Ca 0.22 0.54 0.28 0.00 0.52 0.00 0.00 54.79 56.35 2hgq n ASP 49 Cb 1.13 -0.04 0.54 0.00 -0.72 0.00 0.00 41.12 42.03 2hgq n ASP 49 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2hgq h HIS 50 N 0.00 0.75 0.16 -0.67 2.76 0.17 -0.52 115.15 117.81 2hgq h HIS 50 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2hgq h HIS 50 Cb 0.00 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2hgq h HIS 50 CO -0.02 -0.15 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.07 2hgq h LEU 51 N 0.25 -0.91 -1.26 0.26 4.07 -0.59 0.52 115.31 117.66 2hgq h LEU 51 Ca 0.74 0.09 0.31 0.00 0.08 0.00 0.00 57.88 59.10 2hgq h LEU 51 Cb 1.95 0.32 -0.12 0.00 1.08 0.00 0.00 40.66 43.90 2hgq h LEU 51 CO -0.50 -0.36 0.68 -0.29 -1.08 0.00 0.00 178.44 176.90 2hgq h ILE 52 N -0.51 0.39 -0.49 1.22 -0.00 0.51 0.87 117.51 119.51 2hgq h ILE 52 Ca -0.02 -0.11 0.10 0.00 -0.00 0.00 0.00 64.86 64.83 2hgq h ILE 52 Cb 0.48 0.03 -0.10 0.00 -0.00 0.00 0.00 36.82 37.23 2hgq h ILE 52 CO -0.12 0.06 -0.17 -0.74 -0.00 0.00 0.00 178.15 177.18 2hgq h HIS 53 N 0.33 -0.40 -0.02 2.19 2.76 0.13 0.73 115.15 120.88 2hgq h HIS 53 Ca 0.68 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.77 2hgq h HIS 53 Cb 1.75 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 30.95 2hgq h HIS 53 CO -0.00 -0.26 -0.61 -0.07 -1.30 0.00 0.00 177.93 175.69 2hgq h LEU 54 N -0.06 0.07 -0.96 0.26 4.07 0.18 -0.55 115.31 118.32 2hgq h LEU 54 Ca 0.23 -0.04 0.18 0.00 0.08 0.00 0.00 57.88 58.33 2hgq h LEU 54 Cb 0.41 -0.02 -0.18 0.00 1.08 0.00 0.00 40.66 41.96 2hgq h LEU 54 CO -0.53 0.66 -0.29 0.00 -1.08 0.00 0.00 178.44 177.20 2hgq h ALA 55 N 1.34 0.49 0.77 1.53 0.00 0.89 0.71 119.26 124.99 2hgq h ALA 55 Ca -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2hgq h ALA 55 Cb 1.08 0.81 0.01 0.00 0.00 0.00 0.00 17.79 19.69 2hgq h ALA 55 CO 0.08 -0.46 -0.37 0.87 0.00 0.00 0.00 179.25 179.37 2hgq h LYS 56 N -0.01 -1.00 0.00 0.00 1.57 -0.79 -3.14 116.57 113.21 2hgq h LYS 56 Ca 0.43 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2hgq h LYS 56 Cb 0.67 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2hgq h LYS 56 CO -0.99 -0.67 0.00 0.54 -0.57 0.00 0.00 179.45 177.77 2hgq n ARG 57 N -5.31 0.00 -2.82 3.15 1.74 0.24 -4.69 116.66 108.96 2hgq n ARG 57 Ca -0.13 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.92 2hgq n ARG 57 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 2hgq n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgq n GLY 58 N -0.75 -3.05 0.00 -0.13 0.00 -0.42 -5.03 105.19 95.80 2hgq n GLY 58 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2hgq n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hgq n ASP 59 N 0.44 0.00 -0.27 1.61 5.75 -1.26 -5.00 116.55 117.82 2hgq n ASP 59 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.82 2hgq n ASP 59 Cb 0.19 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.35 2hgq n ASP 59 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2hgq h LEU 60 N 0.00 -0.88 0.00 -2.12 3.38 -1.99 -0.92 115.31 112.79 2hgq h LEU 60 Ca 0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2hgq h LEU 60 Cb 0.00 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2hgq h LEU 60 CO 0.00 -0.27 0.00 1.57 0.09 0.00 0.00 178.44 179.83 2hgq n HIS 61 N -5.50 0.00 -0.18 1.13 -0.00 -1.26 -1.05 115.22 108.36 2hgq n HIS 61 Ca 0.10 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.27 2hgq n HIS 61 Cb 0.39 -0.16 0.01 0.00 -0.12 0.00 0.00 29.99 30.12 2hgq n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hgq n ALA 62 N -0.97 -0.09 -0.17 1.57 0.00 -1.16 0.25 120.51 119.93 2hgq n ALA 62 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2hgq n ALA 62 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2hgq n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgq n ARG 63 N -4.66 0.00 -0.22 0.00 1.74 -0.36 0.82 116.66 113.98 2hgq n ARG 63 Ca 0.04 0.78 0.02 0.00 -0.77 0.00 0.00 57.85 57.92 2hgq n ARG 63 Cb 0.17 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 2hgq n ARG 63 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2hgq n ARG 64 N -2.41 -0.09 0.07 5.56 1.85 0.68 -1.11 116.66 121.21 2hgq n ARG 64 Ca 0.00 0.91 -0.03 0.00 -1.00 0.00 0.00 57.85 57.74 2hgq n ARG 64 Cb 0.00 -1.36 -0.01 0.00 -1.05 0.00 0.00 32.46 30.04 2hgq n ARG 64 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2hgq h LEU 65 N 0.00 -0.14 -2.11 2.89 6.46 0.20 0.48 115.31 123.09 2hgq h LEU 65 Ca 0.25 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 2hgq h LEU 65 Cb 0.40 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2hgq h LEU 65 CO -0.60 -0.10 0.11 0.58 -0.62 0.00 0.00 178.44 177.82 2hgq h VAL 66 N -0.18 0.78 -0.23 1.05 2.07 -0.64 2.69 116.25 121.80 2hgq h VAL 66 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2hgq h VAL 66 Cb 0.13 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2hgq h VAL 66 CO 0.03 0.00 -0.00 0.25 0.02 0.00 0.00 177.57 177.87 2hgq h LEU 67 N 0.00 -0.09 -0.62 2.57 7.12 -0.94 1.48 115.31 124.84 2hgq h LEU 67 Ca 0.07 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.28 2hgq h LEU 67 Cb 0.29 0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 40.40 2hgq h LEU 67 CO -0.00 -0.02 -0.06 -1.14 -0.13 0.00 0.00 178.44 177.09 2hgq n ARG 68 N -5.14 -0.05 0.13 1.25 0.63 0.89 -0.67 116.66 113.70 2hgq n ARG 68 Ca -0.02 0.94 -0.23 0.00 -0.92 0.00 0.00 57.85 57.62 2hgq n ARG 68 Cb 0.12 -1.45 -0.15 0.00 0.45 0.00 0.00 32.46 31.42 2hgq n ARG 68 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2hgq h ASP 69 N 0.00 0.74 0.76 6.15 5.19 0.32 -3.38 116.42 126.20 2hgq h ASP 69 Ca 0.34 -0.81 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 2hgq h ASP 69 Cb 0.63 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 2hgq h ASP 69 CO -0.60 1.64 -1.27 0.18 -3.12 0.00 0.00 179.24 176.07 2hgq n LEU 70 N -3.67 0.69 -2.62 1.55 4.77 0.01 -5.02 117.00 112.71 2hgq n LEU 70 Ca -0.16 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 2hgq n LEU 70 Cb 1.09 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 42.14 2hgq n LEU 70 CO 0.59 -0.09 -0.30 0.00 -1.33 0.00 0.00 177.39 176.25 2hgq n GLN 71 N -2.64 -2.79 0.00 3.23 6.02 0.15 -5.06 117.38 116.29 2hgq n GLN 71 Ca -0.03 2.17 0.00 0.00 -0.01 0.00 0.00 57.00 59.13 2hgq n GLN 71 Cb 0.61 -2.78 0.00 0.00 1.02 0.00 0.00 30.24 29.09 2hgq n GLN 71 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2hgq n ASP 72 N 2.08 0.00 0.19 1.08 2.03 -1.26 -5.04 116.55 115.63 2hgq n ASP 72 Ca -0.14 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.02 2hgq n ASP 72 Cb 0.22 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.53 2hgq n ASP 72 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2hgq h VAL 73 N 0.00 0.00 -0.06 5.18 -1.51 -1.97 0.04 116.25 117.93 2hgq h VAL 73 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 2hgq h VAL 73 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 2hgq h VAL 73 CO 0.00 0.00 -0.04 0.29 -1.23 0.00 0.00 177.57 176.59 2hgq n LYS 74 N -5.12 -0.03 0.31 5.19 4.01 -1.26 0.25 118.16 121.51 2hgq n LYS 74 Ca -0.09 0.28 -0.14 0.00 -0.51 0.00 0.00 58.31 57.85 2hgq n LYS 74 Cb 0.39 -0.41 -0.07 0.00 -0.51 0.00 0.00 35.03 34.43 2hgq n LYS 74 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2hgq h LEU 75 N 0.00 -0.69 0.00 -0.35 3.38 -1.95 -0.11 115.31 115.60 2hgq h LEU 75 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hgq h LEU 75 Cb 0.02 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2hgq h LEU 75 CO -0.06 -0.31 0.00 0.52 0.09 0.00 0.00 178.44 178.69 2hgq n VAL 76 N -5.33 0.00 0.09 1.22 0.31 0.71 0.40 118.33 115.72 2hgq n VAL 76 Ca -0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 2hgq n VAL 76 Cb 0.34 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.19 2hgq n VAL 76 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgq h ARG 77 N 0.00 -0.25 -0.34 5.55 3.08 -1.20 -1.19 114.38 120.03 2hgq h ARG 77 Ca 0.00 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2hgq h ARG 77 Cb 0.00 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2hgq h ARG 77 CO 0.00 0.13 -0.17 1.17 -1.07 0.00 0.00 179.97 180.03 2hgq n LYS 78 N -5.00 -0.12 0.10 0.04 3.00 1.32 0.20 118.16 117.70 2hgq n LYS 78 Ca -0.09 0.52 -0.05 0.00 -0.00 0.00 0.00 58.31 58.70 2hgq n LYS 78 Cb 0.26 -0.77 -0.02 0.00 0.00 0.00 0.00 35.03 34.50 2hgq n LYS 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2hgq h LEU 79 N 0.00 -0.27 -1.81 3.14 6.46 -0.66 0.78 115.31 122.96 2hgq h LEU 79 Ca 0.09 0.01 0.53 0.00 -0.12 0.00 0.00 57.88 58.38 2hgq h LEU 79 Cb 0.17 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.07 2hgq h LEU 79 CO -0.33 0.02 1.22 0.15 -0.62 0.00 0.00 178.44 178.89 2hgq h PHE 80 N -0.75 0.16 0.00 1.25 3.57 0.10 -0.85 116.94 120.42 2hgq h PHE 80 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2hgq h PHE 80 Cb 0.24 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2hgq h PHE 80 CO 0.03 -0.08 -1.04 -0.40 -2.23 0.00 0.00 178.31 174.59 2hgq n ASP 81 N -4.20 4.68 -0.24 0.41 5.68 -0.10 -4.30 116.55 118.49 2hgq n ASP 81 Ca 0.42 -0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.67 2hgq n ASP 81 Cb 1.83 0.41 0.07 0.00 -1.14 0.00 0.00 41.12 42.29 2hgq n ASP 81 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2hgq h GLU 82 N 0.00 0.82 0.00 0.11 4.22 0.37 -3.37 114.58 116.72 2hgq h GLU 82 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2hgq h GLU 82 Cb 1.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2hgq h GLU 82 CO 0.00 0.54 -0.26 -0.89 -2.18 0.00 0.00 179.01 176.22 2hgq n ILE 83 N -4.67 0.00 -0.27 2.32 2.08 -0.44 -4.72 119.36 113.65 2hgq n ILE 83 Ca 0.07 0.00 0.27 0.00 0.56 0.00 0.00 62.75 63.65 2hgq n ILE 83 Cb 0.08 -0.23 0.49 0.00 -0.75 0.00 0.00 39.64 39.23 2hgq n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hgq n ALA 84 N -0.86 0.86 0.35 -1.39 0.00 -0.55 0.30 120.51 119.22 2hgq n ALA 84 Ca 0.00 0.87 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 2hgq n ALA 84 Cb 0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 2hgq n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2hgq h PRO 85 N 0.00 -0.90 -0.40 0.00 0.11 -1.78 0.47 132.00 129.51 2hgq h PRO 85 Ca 0.71 0.06 0.17 0.00 0.11 0.00 0.00 66.00 67.05 2hgq h PRO 85 Cb 1.87 0.20 -0.07 0.00 0.11 0.00 0.00 31.00 33.12 2hgq h PRO 85 CO -0.66 -0.59 0.22 0.54 -0.21 0.00 0.00 178.00 177.29 2hgq n ARG 86 N -5.39 -0.02 -0.09 1.05 1.74 0.88 -0.20 116.66 114.62 2hgq n ARG 86 Ca -0.12 0.55 -0.23 0.00 -0.77 0.00 0.00 57.85 57.28 2hgq n ARG 86 Cb 0.37 -0.99 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 2hgq n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2hgq n TYR 87 N -3.89 0.56 -0.89 -1.55 0.53 -0.29 -4.89 117.16 106.73 2hgq n TYR 87 Ca 0.15 0.18 -0.09 0.00 -1.02 0.00 0.00 57.90 57.11 2hgq n TYR 87 Cb 0.51 -1.06 -0.10 0.00 -1.03 0.00 0.00 39.34 37.66 2hgq n TYR 87 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2hgq n ARG 88 N -3.89 0.00 0.00 -0.72 3.00 0.72 -1.74 116.66 114.02 2hgq n ARG 88 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.43 2hgq n ARG 88 Cb 0.90 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 32.68 2hgq n ARG 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2hgq n ASP 89 N 3.47 0.00 -1.99 6.15 5.68 -1.26 -4.99 116.55 123.62 2hgq n ASP 89 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 2hgq n ASP 89 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2hgq n ASP 89 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2hgq n ARG 90 N 0.00 0.51 -2.40 0.11 1.74 -0.71 -5.02 116.66 110.89 2hgq n ARG 90 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2hgq n ARG 90 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2hgq n ARG 90 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2hgq n GLN 91 N -0.96 3.33 0.00 5.56 -0.06 -1.26 -5.07 117.38 118.92 2hgq n GLN 91 Ca 0.00 -4.31 0.00 0.00 -2.00 0.00 0.00 57.00 50.69 2hgq n GLN 91 Cb 0.00 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 2hgq n GLN 91 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hgq n GLY 92 N -0.45 0.64 2.16 1.69 0.00 -1.26 -4.88 105.19 103.10 2hgq n GLY 92 Ca 0.42 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 2hgq n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 93 N 0.00 1.04 0.00 -0.02 0.00 -1.26 -4.70 105.19 100.25 2hgq n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgq n TYR 94 N -1.78 0.00 -4.15 1.61 0.53 -1.26 -4.49 117.16 107.62 2hgq n TYR 94 Ca -0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.42 2hgq n TYR 94 Cb 0.42 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.65 2hgq n TYR 94 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2hgq s THR 95 N -1.54 4.78 -0.31 -0.72 2.01 -1.26 -0.52 115.64 118.08 2hgq s THR 95 Ca 0.00 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.95 2hgq s THR 95 Cb 0.00 -3.06 0.09 0.00 0.01 0.00 0.00 72.50 69.54 2hgq s THR 95 CO 0.00 0.59 0.05 -0.60 -0.69 0.00 0.00 174.62 173.97 2hgq s ARG 96 N -0.71 1.22 -0.26 4.92 3.52 -0.02 -4.68 118.95 122.93 2hgq s ARG 96 Ca 0.12 -1.44 -0.12 0.00 -0.13 0.00 0.00 55.73 54.15 2hgq s ARG 96 Cb -0.12 -2.66 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 2hgq s ARG 96 CO 0.02 -0.90 0.25 0.08 -0.81 0.00 0.00 175.30 173.94 2hgq s VAL 97 N 1.24 5.27 -0.10 7.11 1.01 -1.26 -0.81 120.40 132.86 2hgq s VAL 97 Ca 0.08 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 2hgq s VAL 97 Cb -0.18 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.66 2hgq s VAL 97 CO -0.14 0.24 0.22 -0.76 0.00 0.00 0.00 175.10 174.66 2hgq s LEU 98 N 1.69 0.42 -0.19 3.92 1.43 0.20 -4.98 118.68 121.17 2hgq s LEU 98 Ca 0.10 0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 2hgq s LEU 98 Cb -0.15 0.64 -0.05 0.00 0.03 0.00 0.00 46.19 46.65 2hgq s LEU 98 CO 0.09 -0.17 2.20 -0.54 0.23 0.00 0.00 176.35 178.17 2hgq s LYS 99 N 1.35 3.22 0.00 1.70 3.01 -1.26 -0.79 119.74 126.96 2hgq s LYS 99 Ca -0.08 2.09 0.00 0.00 -1.01 0.00 0.00 55.97 56.97 2hgq s LYS 99 Cb -0.11 -4.36 0.00 0.00 -1.01 0.00 0.00 37.83 32.35 2hgq s LYS 99 CO -0.08 -2.01 0.00 -0.11 0.51 0.00 0.00 175.35 173.66 2hgq n LEU 100 N 11.34 0.00 -0.01 3.17 -0.00 -0.16 -4.93 117.00 126.41 2hgq n LEU 100 Ca 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.33 2hgq n LEU 100 Cb 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.74 2hgq n LEU 100 CO 0.66 -0.23 -0.67 0.00 -0.00 0.00 0.00 177.39 177.15 2hgq n ALA 101 N -3.00 2.23 -3.01 1.96 0.00 -1.26 -4.96 120.51 112.47 2hgq n ALA 101 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2hgq n ALA 101 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2hgq n ALA 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgq n GLU 102 N -2.58 0.02 -4.44 0.00 4.07 -1.26 -5.08 120.64 111.37 2hgq n GLU 102 Ca -0.13 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.74 2hgq n GLU 102 Cb 0.79 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 32.00 2hgq n GLU 102 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2hgq s ARG 103 N -2.00 1.44 0.88 5.31 1.70 -1.26 -1.75 118.95 123.27 2hgq s ARG 103 Ca 0.00 -0.32 -0.15 0.00 -0.47 0.00 0.00 55.73 54.79 2hgq s ARG 103 Cb 0.00 -1.25 -0.05 0.00 -0.57 0.00 0.00 34.95 33.09 2hgq s ARG 103 CO 0.00 -0.02 0.05 -2.13 -1.08 0.00 0.00 175.30 172.13 2hgq n ARG 104 N 3.92 -0.05 -1.32 3.89 0.63 0.04 -4.48 116.66 119.29 2hgq n ARG 104 Ca -0.23 0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.41 2hgq n ARG 104 Cb 0.51 -1.55 0.24 0.00 0.45 0.00 0.00 32.46 32.11 2hgq n ARG 104 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2hgq n ARG 105 N -0.07 -2.61 0.00 -0.14 3.00 -1.26 -0.84 116.66 114.74 2hgq n ARG 105 Ca 0.05 -1.86 0.00 0.00 -0.00 0.00 0.00 57.85 56.04 2hgq n ARG 105 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.42 2hgq n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgq n GLY 106 N -4.53 0.37 0.41 5.14 0.00 -1.26 -3.92 105.19 101.41 2hgq n GLY 106 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2hgq n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hgq n ASP 107 N 0.75 2.22 -0.00 1.61 3.85 -1.26 -5.04 116.55 118.69 2hgq n ASP 107 Ca 0.00 0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.09 2hgq n ASP 107 Cb 0.00 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 2hgq n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hgq n GLY 108 N 3.15 1.80 3.62 6.12 0.00 -0.02 -5.02 105.19 114.84 2hgq n GLY 108 Ca -0.04 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2hgq n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq s ALA 109 N -2.00 3.08 0.01 4.61 0.00 -1.16 -4.62 121.76 121.67 2hgq s ALA 109 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 2hgq s ALA 109 Cb 0.00 -3.96 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 2hgq s ALA 109 CO 0.00 -2.28 1.63 -1.25 0.00 0.00 0.00 175.76 173.85 2hgq s PRO 110 N 5.45 4.20 0.07 0.00 0.04 -1.26 -0.78 135.00 142.72 2hgq s PRO 110 Ca 0.90 2.23 0.00 0.00 0.04 0.00 0.00 61.00 64.17 2hgq s PRO 110 Cb -0.33 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.45 2hgq s PRO 110 CO 0.35 -0.76 0.01 1.28 0.04 0.00 0.00 177.00 177.92 2hgq n LEU 111 N 6.21 0.00 0.00 -3.56 4.77 -0.72 -1.28 117.00 122.42 2hgq n LEU 111 Ca 0.16 -0.48 -0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2hgq n LEU 111 Cb 0.42 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2hgq n LEU 111 CO 0.62 -0.07 0.01 0.00 -1.33 0.00 0.00 177.39 176.62 2hgq n ALA 112 N -2.74 -0.05 -2.53 -1.18 0.00 -0.04 -0.99 120.51 112.99 2hgq n ALA 112 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2hgq n ALA 112 Cb 0.10 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 2hgq n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2hgq s LEU 113 N 0.00 2.22 -0.03 0.00 1.98 0.03 -1.23 118.68 121.65 2hgq s LEU 113 Ca 0.00 -0.58 -0.13 0.00 -2.89 0.00 0.00 54.13 50.53 2hgq s LEU 113 Cb -0.00 -0.89 0.02 0.00 0.66 0.00 0.00 46.19 45.98 2hgq s LEU 113 CO 0.00 0.10 0.28 -0.69 -1.89 0.00 0.00 176.35 174.15 2hgq s VAL 114 N -0.96 0.05 0.09 1.68 1.01 -0.10 -0.62 120.40 121.55 2hgq s VAL 114 Ca 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 2hgq s VAL 114 Cb -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2hgq s VAL 114 CO 0.03 -0.23 0.19 -1.84 0.00 0.00 0.00 175.10 173.24 2hgq n GLU 115 N 1.61 0.27 -2.38 2.72 0.00 0.01 -0.78 120.64 122.08 2hgq n GLU 115 Ca -0.20 -0.52 -0.42 0.00 0.00 0.00 0.00 57.16 56.01 2hgq n GLU 115 Cb 0.56 0.65 -0.03 0.00 0.00 0.00 0.00 31.44 32.63 2hgq n GLU 115 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 2hgq s LEU 116 N 0.00 4.36 -1.00 -1.84 2.34 0.79 -0.84 118.68 122.48 2hgq s LEU 116 Ca 0.04 2.04 -0.23 0.00 0.06 0.00 0.00 54.13 56.04 2hgq s LEU 116 Cb -0.01 -3.58 0.05 0.00 -0.56 0.00 0.00 46.19 42.09 2hgq s LEU 116 CO 0.03 -0.52 1.43 0.54 -1.06 0.00 0.00 176.35 176.77 2hgq s VAL 117 N 1.24 3.93 -2.13 1.48 0.11 0.33 -4.79 120.40 120.57 2hgq s VAL 117 Ca 0.59 -0.73 0.31 0.00 -2.93 0.00 0.00 61.98 59.23 2hgq s VAL 117 Cb -0.30 -5.05 0.82 0.00 -1.53 0.00 0.00 36.38 30.32 2hgq s VAL 117 CO 0.29 -1.92 2.11 -0.62 -3.33 0.00 0.00 175.10 171.62