#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n LYS 2 N 0.00 0.00 -1.43 0.03 5.02 -1.26 -5.03 118.16 115.50 2hgq n LYS 2 Ca 0.00 -0.51 -0.01 0.00 -2.02 0.00 0.00 58.31 55.76 2hgq n LYS 2 Cb 0.00 0.36 0.02 0.00 -0.02 0.00 0.00 35.03 35.39 2hgq n LYS 2 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2hgq n GLU 3 N 0.00 0.27 0.00 1.97 2.13 -1.26 -5.08 120.64 118.67 2hgq n GLU 3 Ca -0.14 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.32 2hgq n GLU 3 Cb 0.51 0.27 0.00 0.00 0.27 0.00 0.00 31.44 32.49 2hgq n GLU 3 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgq n GLY 4 N -0.31 0.54 2.08 8.31 0.00 -1.26 -4.75 105.19 109.80 2hgq n GLY 4 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2hgq n GLY 4 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hgq n ILE 5 N -0.10 0.00 0.00 -0.61 5.41 -1.24 -4.24 119.36 118.58 2hgq n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgq n ILE 5 Cb 0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 2hgq n ILE 5 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2hgq n HIS 6 N -3.47 0.00 -2.72 1.39 8.25 -1.26 -2.29 115.22 115.12 2hgq n HIS 6 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2hgq n HIS 6 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 2hgq n HIS 6 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2hgq n PRO 7 N 0.00 4.52 0.00 -0.41 -0.04 -1.26 -5.00 135.00 132.81 2hgq n PRO 7 Ca 0.00 -4.69 0.00 0.00 -0.04 0.00 0.00 63.50 58.77 2hgq n PRO 7 Cb 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 2hgq n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hgq n LYS 8 N -0.16 0.00 -3.86 0.54 4.81 -1.26 -4.88 118.16 113.35 2hgq n LYS 8 Ca 0.41 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.50 2hgq n LYS 8 Cb 0.31 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.23 2hgq n LYS 8 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hgq s LEU 9 N 0.00 3.16 -0.27 3.14 1.43 -1.26 -3.59 118.68 121.28 2hgq s LEU 9 Ca 0.00 -0.46 0.22 0.00 -1.03 0.00 0.00 54.13 52.86 2hgq s LEU 9 Cb 0.00 -1.78 0.50 0.00 0.03 0.00 0.00 46.19 44.94 2hgq s LEU 9 CO 0.00 -0.06 1.09 0.52 0.23 0.00 0.00 176.35 178.12 2hgq n VAL 10 N 4.82 1.20 -3.91 -1.59 0.31 -1.26 -5.01 118.33 112.89 2hgq n VAL 10 Ca -0.17 -2.92 -0.28 0.00 -0.01 0.00 0.00 64.34 60.95 2hgq n VAL 10 Cb 0.50 1.18 -0.12 0.00 -0.91 0.00 0.00 33.84 34.49 2hgq n VAL 10 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2hgq s PRO 11 N -3.63 2.34 0.00 5.55 0.04 -1.26 -4.70 135.00 133.34 2hgq s PRO 11 Ca 0.27 -3.18 0.00 0.00 0.04 0.00 0.00 61.00 58.13 2hgq s PRO 11 Cb 0.35 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2hgq s PRO 11 CO -0.03 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.77 2hgq n ALA 12 N 2.23 0.00 0.00 8.56 0.00 -1.26 -4.98 120.51 125.06 2hgq n ALA 12 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2hgq n ALA 12 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2hgq n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgq n ARG 13 N 0.00 0.00 0.00 0.00 1.74 -1.26 -4.36 116.66 112.78 2hgq n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgq n ARG 13 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgq n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2hgq n ILE 14 N 0.00 0.00 -4.98 0.55 2.08 -1.21 -4.58 119.36 111.21 2hgq n ILE 14 Ca 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.99 2hgq n ILE 14 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 38.75 2hgq n ILE 14 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2hgq s ILE 15 N 0.00 2.79 0.05 1.39 1.09 -1.26 -0.71 121.20 124.56 2hgq s ILE 15 Ca 0.00 -0.81 -0.27 0.00 -1.10 0.00 0.00 60.65 58.47 2hgq s ILE 15 Cb 0.00 -2.08 0.09 0.00 -1.06 0.00 0.00 42.46 39.41 2hgq s ILE 15 CO 0.00 0.58 1.20 0.00 -0.10 0.00 0.00 174.94 176.62 2hgq n GLY 17 N -0.77 -0.82 0.00 0.00 0.00 -1.23 -0.89 105.19 101.47 2hgq n GLY 17 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2hgq n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq n GLY 19 N 0.00 1.10 3.62 0.00 0.00 -1.20 -1.22 105.19 107.49 2hgq n GLY 19 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2hgq n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hgq s ASN 20 N -4.00 -0.08 0.00 1.61 0.01 0.17 -4.95 114.94 107.70 2hgq s ASN 20 Ca 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.23 2hgq s ASN 20 Cb 0.00 0.61 0.00 0.00 0.41 0.00 0.00 41.25 42.27 2hgq s ASN 20 CO 0.00 -1.18 0.00 0.52 -1.51 0.00 0.00 177.10 174.93 2hgq n VAL 21 N -0.40 0.00 -1.92 1.60 0.31 -1.26 -1.79 118.33 114.87 2hgq n VAL 21 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.30 2hgq n VAL 21 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2hgq n VAL 21 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2hgq n ILE 22 N 0.00 -4.22 0.00 2.52 -0.00 -1.26 -3.37 119.36 113.03 2hgq n ILE 22 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 2hgq n ILE 22 Cb 0.00 -4.76 0.00 0.00 -0.00 0.00 0.00 39.64 34.88 2hgq n ILE 22 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2hgq n GLU 23 N -0.79 0.00 -0.31 0.38 1.02 -1.22 -3.06 120.64 116.65 2hgq n GLU 23 Ca 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.14 2hgq n GLU 23 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.69 2hgq n GLU 23 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hgq n THR 24 N 0.00 1.07 0.00 2.62 -2.24 -1.26 -1.15 114.28 113.32 2hgq n THR 24 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2hgq n THR 24 Cb 0.00 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 2hgq n THR 24 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2hgq n TYR 25 N 2.14 0.00 -0.85 4.78 0.53 -1.26 -4.99 117.16 117.52 2hgq n TYR 25 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.95 2hgq n TYR 25 Cb 0.30 0.12 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 2hgq n TYR 25 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2hgq n SER 26 N -2.35 0.00 0.00 7.72 7.64 -0.30 -5.14 113.62 121.19 2hgq n SER 26 Ca 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2hgq n SER 26 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2hgq n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hgq n THR 27 N 0.00 0.00 -1.15 0.44 -2.24 -0.35 -4.97 114.28 106.01 2hgq n THR 27 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgq n THR 27 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2hgq n THR 27 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hgq n LYS 28 N 0.00 0.88 -3.87 -0.78 5.02 -1.17 -3.45 118.16 114.80 2hgq n LYS 28 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2hgq n LYS 28 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 2hgq n LYS 28 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hgq s PRO 29 N -1.08 3.76 -0.87 1.97 0.04 -1.26 -3.99 135.00 133.57 2hgq s PRO 29 Ca 0.00 -0.44 -0.25 0.00 0.04 0.00 0.00 61.00 60.35 2hgq s PRO 29 Cb 0.00 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 2hgq s PRO 29 CO 0.00 -0.03 2.15 -1.21 0.04 0.00 0.00 177.00 177.95 2hgq s GLU 30 N 1.19 2.11 -0.40 4.56 2.02 -0.74 -4.85 118.70 122.60 2hgq s GLU 30 Ca 0.05 0.01 -0.21 0.00 0.02 0.00 0.00 54.97 54.84 2hgq s GLU 30 Cb -0.14 -4.95 0.01 0.00 0.10 0.00 0.00 34.13 29.15 2hgq s GLU 30 CO 0.03 -3.90 0.64 0.96 0.02 0.00 0.00 175.26 173.01 2hgq s ILE 31 N 12.27 4.86 0.00 -1.63 -0.00 -1.26 -0.66 121.20 134.78 2hgq s ILE 31 Ca 0.80 0.36 0.00 0.00 -0.00 0.00 0.00 60.65 61.81 2hgq s ILE 31 Cb -0.09 -4.14 0.00 0.00 -0.00 0.00 0.00 42.46 38.23 2hgq s ILE 31 CO 0.04 -0.45 0.00 0.00 -0.00 0.00 0.00 174.94 174.52 2hgq n TYR 32 N 6.16 0.00 -2.68 1.37 0.18 -0.35 -4.99 117.16 116.85 2hgq n TYR 32 Ca -0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.73 2hgq n TYR 32 Cb 0.48 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.48 2hgq n TYR 32 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2hgq n VAL 33 N 0.00 0.00 -2.12 -3.48 0.31 -1.22 -3.27 118.33 108.54 2hgq n VAL 33 Ca 0.00 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.71 2hgq n VAL 33 Cb 0.00 0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 33.56 2hgq n VAL 33 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hgq s GLU 34 N 0.88 2.67 0.20 5.55 2.12 -1.26 -3.47 118.70 125.40 2hgq s GLU 34 Ca 0.24 -1.07 0.08 0.00 0.36 0.00 0.00 54.97 54.59 2hgq s GLU 34 Cb 0.13 -5.24 -0.05 0.00 0.26 0.00 0.00 34.13 29.23 2hgq s GLU 34 CO -0.10 -3.66 -0.15 0.08 -0.54 0.00 0.00 175.26 170.89 2hgq s VAL 35 N 10.06 1.77 0.06 3.70 1.01 -0.07 -5.03 120.40 131.89 2hgq s VAL 35 Ca 0.67 -2.17 0.03 0.00 0.00 0.00 0.00 61.98 60.50 2hgq s VAL 35 Cb -0.01 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2hgq s VAL 35 CO 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 175.10 174.56 2hgq n SER 37 N 1.17 -0.96 -1.36 0.00 2.88 0.11 -4.95 113.62 110.51 2hgq n SER 37 Ca -0.21 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2hgq n SER 37 Cb 0.56 1.63 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 2hgq n SER 37 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2hgq n LYS 38 N -0.24 2.95 0.00 -1.46 4.81 -1.26 -3.35 118.16 119.60 2hgq n LYS 38 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2hgq n LYS 38 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2hgq n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgq n HIS 40 N 0.00 -0.87 -0.21 0.00 8.25 -1.26 -4.65 115.22 116.48 2hgq n HIS 40 Ca 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 2hgq n HIS 40 Cb 0.00 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2hgq n HIS 40 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2hgq n PRO 41 N -0.18 3.50 -4.17 -0.41 -0.02 -1.26 -5.16 135.00 127.30 2hgq n PRO 41 Ca -0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.32 2hgq n PRO 41 Cb 0.18 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.60 2hgq n PRO 41 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2hgq s PHE 42 N 1.80 1.27 0.17 6.00 5.36 -1.26 -4.94 117.98 126.39 2hgq s PHE 42 Ca 0.00 -1.40 0.08 0.00 -0.96 0.00 0.00 56.93 54.66 2hgq s PHE 42 Cb 0.00 -0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 42.26 2hgq s PHE 42 CO 0.00 -0.93 -0.08 0.71 -1.46 0.00 0.00 175.22 173.46 2hgq s TYR 43 N -3.49 2.68 0.00 10.12 1.51 -1.26 -1.66 117.35 125.24 2hgq s TYR 43 Ca 0.35 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2hgq s TYR 43 Cb 0.02 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2hgq s TYR 43 CO 0.20 0.51 0.00 2.41 -1.11 0.00 0.00 175.55 177.56 2hgq n THR 44 N 0.06 0.00 -3.83 -0.71 -1.04 -0.45 -4.96 114.28 103.36 2hgq n THR 44 Ca -0.11 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.83 2hgq n THR 44 Cb 0.55 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.07 2hgq n THR 44 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2hgq s GLY 45 N 0.00 0.14 0.00 3.41 0.00 -1.26 -0.80 107.32 108.81 2hgq s GLY 45 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2hgq s GLY 45 CO 0.00 0.09 0.00 -0.18 0.00 0.00 0.00 173.10 173.01 2hgq n GLN 46 N -0.52 0.00 -4.27 2.90 7.27 0.69 -4.91 117.38 118.54 2hgq n GLN 46 Ca -0.06 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.80 2hgq n GLN 46 Cb 0.60 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.08 2hgq n GLN 46 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2hgq s GLN 47 N 1.81 0.97 0.00 3.69 -2.07 -1.26 -0.80 119.66 122.00 2hgq s GLN 47 Ca 0.00 -0.18 0.00 0.00 -1.82 0.00 0.00 55.36 53.36 2hgq s GLN 47 Cb 0.00 -0.92 0.00 0.00 -1.09 0.00 0.00 33.01 31.00 2hgq s GLN 47 CO 0.00 -0.03 0.29 0.54 -1.32 0.00 0.00 175.29 174.77 2hgq n ARG 48 N 3.87 0.00 -3.28 9.60 1.74 -1.25 -4.83 116.66 122.52 2hgq n ARG 48 Ca -0.24 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.77 2hgq n ARG 48 Cb 0.52 -0.79 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 2hgq n ARG 48 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2hgq s PHE 49 N -0.57 -1.16 -0.10 -1.55 -0.71 -1.26 -5.02 117.98 107.61 2hgq s PHE 49 Ca 0.00 0.47 -0.03 0.00 -1.04 0.00 0.00 56.93 56.33 2hgq s PHE 49 Cb 0.00 -0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2hgq s PHE 49 CO 0.00 -1.00 0.06 0.28 -1.34 0.00 0.00 175.22 173.22 2hgq n VAL 50 N 5.37 -6.06 0.00 -2.49 0.31 -1.26 -4.94 118.33 109.26 2hgq n VAL 50 Ca 0.01 1.12 0.00 0.00 -0.01 0.00 0.00 64.34 65.47 2hgq n VAL 50 Cb 0.50 -4.38 0.00 0.00 -0.91 0.00 0.00 33.84 29.05 2hgq n VAL 50 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2hgq n ASP 51 N 1.70 0.00 0.00 4.52 8.00 -1.26 -5.18 116.55 124.32 2hgq n ASP 51 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2hgq n ASP 51 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2hgq n ASP 51 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2hgq n THR 52 N 2.47 0.00 0.00 -3.53 -1.04 -1.26 -3.93 114.28 106.98 2hgq n THR 52 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgq n THR 52 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgq n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2hgq n GLU 53 N 0.00 0.00 0.00 -2.82 2.13 0.02 -4.95 120.64 115.02 2hgq n GLU 53 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgq n GLU 53 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2hgq n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgq n GLY 54 N 0.00 -1.86 0.84 8.31 0.00 -1.26 -0.23 105.19 111.00 2hgq n GLY 54 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2hgq n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 55 N 0.00 0.00 0.00 1.61 0.63 0.02 -4.99 116.66 113.92 2hgq n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgq n ARG 55 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2hgq n ARG 55 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2hgq n VAL 56 N 0.00 0.00 -3.66 5.15 0.31 -1.25 -1.34 118.33 117.54 2hgq n VAL 56 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2hgq n VAL 56 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2hgq n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hgq s GLU 57 N 0.00 0.59 0.00 5.55 0.41 -0.97 -4.60 118.70 119.68 2hgq s GLU 57 Ca 0.00 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.69 2hgq s GLU 57 Cb 0.00 0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.54 2hgq s GLU 57 CO 0.00 -0.16 0.00 0.54 -0.49 0.00 0.00 175.26 175.15 2hgq n ARG 58 N 4.48 0.00 0.02 1.61 1.74 -0.67 -0.81 116.66 123.03 2hgq n ARG 58 Ca -0.19 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.87 2hgq n ARG 58 Cb 0.56 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.00 2hgq n ARG 58 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2hgq h PHE 59 N 0.00 -0.14 -0.76 -1.55 -5.15 -2.00 -0.13 116.94 107.22 2hgq h PHE 59 Ca 0.00 0.00 0.27 0.00 -0.20 0.00 0.00 57.97 58.04 2hgq h PHE 59 Cb 0.00 0.06 -0.14 0.00 0.22 0.00 0.00 35.95 36.09 2hgq h PHE 59 CO 0.00 -0.06 0.22 0.00 -2.00 0.00 0.00 178.31 176.47 2hgq n GLN 60 N -2.64 -0.05 0.00 6.09 10.64 -1.22 0.17 117.38 130.37 2hgq n GLN 60 Ca -0.01 1.10 0.00 0.00 -1.83 0.00 0.00 57.00 56.26 2hgq n GLN 60 Cb 0.04 -1.86 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 2hgq n GLN 60 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2hgq n ARG 61 N -4.89 0.00 -0.30 2.61 1.74 0.01 -1.04 116.66 114.79 2hgq n ARG 61 Ca 0.24 0.32 -0.03 0.00 -0.77 0.00 0.00 57.85 57.60 2hgq n ARG 61 Cb 0.79 -1.05 -0.00 0.00 -1.02 0.00 0.00 32.46 31.18 2hgq n ARG 61 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgq n ARG 62 N -0.93 -0.23 0.33 5.56 1.74 0.46 0.17 116.66 123.75 2hgq n ARG 62 Ca 0.00 1.17 -0.18 0.00 -0.77 0.00 0.00 57.85 58.07 2hgq n ARG 62 Cb 0.00 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 29.62 2hgq n ARG 62 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2hgq h TYR 63 N 0.00 -1.22 -0.44 -1.55 0.99 -1.24 -1.59 116.97 111.92 2hgq h TYR 63 Ca 0.22 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.00 2hgq h TYR 63 Cb 0.41 0.46 -0.07 0.00 1.00 0.00 0.00 36.73 38.53 2hgq h TYR 63 CO -0.71 -0.64 -0.44 0.78 -0.00 0.00 0.00 178.16 177.16 2hgq h GLY 64 N -0.99 -1.25 0.04 3.88 0.00 0.14 0.32 103.07 105.22 2hgq h GLY 64 Ca -0.07 0.79 0.16 0.00 0.00 0.00 0.00 47.33 48.22 2hgq h GLY 64 CO 0.00 -0.25 0.33 1.29 0.00 0.00 0.00 176.54 177.92 2hgq h ASP 65 N -0.22 0.30 -0.17 0.19 2.03 -0.99 2.92 116.42 120.48 2hgq h ASP 65 Ca 0.07 0.12 0.05 0.00 -0.73 0.00 0.00 57.03 56.55 2hgq h ASP 65 Cb 0.42 0.10 -0.07 0.00 -0.83 0.00 0.00 39.33 38.95 2hgq h ASP 65 CO -0.53 0.08 -0.40 0.28 -1.03 0.00 0.00 179.24 177.63 2hgq h SER 66 N 0.44 -1.27 -0.49 4.15 0.02 0.60 -0.05 113.55 116.95 2hgq h SER 66 Ca 0.46 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.63 2hgq h SER 66 Cb 0.75 0.53 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 2hgq h SER 66 CO -0.44 -0.41 -0.41 1.88 -1.14 0.00 0.00 176.83 176.31 2hgq h TYR 67 N -0.45 -1.30 0.00 3.45 0.99 0.69 0.24 116.97 120.59 2hgq h TYR 67 Ca 0.09 0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2hgq h TYR 67 Cb 0.61 0.63 0.00 0.00 1.00 0.00 0.00 36.73 38.97 2hgq h TYR 67 CO -0.49 -0.31 0.00 0.54 -0.00 0.00 0.00 178.16 177.89 2hgq n ARG 68 N -4.62 0.19 0.11 4.88 3.00 -0.41 0.43 116.66 120.23 2hgq n ARG 68 Ca -0.01 0.41 -0.13 0.00 -0.01 0.00 0.00 57.85 58.12 2hgq n ARG 68 Cb 0.22 -1.86 -0.07 0.00 0.00 0.00 0.00 32.46 30.75 2hgq n ARG 68 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2hgq h LYS 69 N 0.00 -0.23 -0.78 5.56 1.57 0.14 0.29 116.57 123.12 2hgq h LYS 69 Ca 0.00 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 2hgq h LYS 69 Cb 0.36 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.59 2hgq h LYS 69 CO 0.00 -0.15 0.02 0.78 -0.57 0.00 0.00 179.45 179.52 2hgq h GLY 70 N -0.24 0.90 0.00 3.86 0.00 0.15 -3.51 103.07 104.23 2hgq h GLY 70 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2hgq h GLY 70 CO -0.01 -0.31 0.00 -2.13 0.00 0.00 0.00 176.54 174.09