#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgp s ILE 4 N 0.00 2.24 0.14 -0.18 1.01 -0.29 -4.62 121.20 119.50 2hgp s ILE 4 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 2hgp s ILE 4 Cb 0.00 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.53 2hgp s ILE 4 CO 0.00 0.55 0.51 -0.60 0.00 0.00 0.00 174.94 175.40 2hgp s ARG 5 N 0.41 3.89 0.05 2.79 6.06 -0.99 -1.11 118.95 130.04 2hgp s ARG 5 Ca -0.16 0.36 -0.16 0.00 -2.50 0.00 0.00 55.73 53.28 2hgp s ARG 5 Cb -0.17 -2.90 0.03 0.00 0.06 0.00 0.00 34.95 31.96 2hgp s ARG 5 CO 0.07 0.47 0.35 0.96 -2.50 0.00 0.00 175.30 174.66 2hgp s ILE 6 N -1.50 0.07 -0.04 4.11 -4.36 -1.26 -0.91 121.20 117.30 2hgp s ILE 6 Ca 0.38 -0.59 -0.02 0.00 -0.26 0.00 0.00 60.65 60.16 2hgp s ILE 6 Cb -0.14 -0.98 0.03 0.00 1.25 0.00 0.00 42.46 42.63 2hgp s ILE 6 CO 0.19 -0.33 0.07 -0.54 0.24 0.00 0.00 174.94 174.58 2hgp s LYS 7 N -2.67 -0.05 -0.34 0.37 1.02 -0.09 -4.06 119.74 113.93 2hgp s LYS 7 Ca -0.04 0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.36 2hgp s LYS 7 Cb -0.00 -0.41 0.10 0.00 -0.52 0.00 0.00 37.83 36.99 2hgp s LYS 7 CO -0.04 -0.29 0.05 -1.17 -0.92 0.00 0.00 175.35 172.98 2hgp s LEU 8 N 1.94 4.66 -0.27 3.17 1.98 -0.20 -1.35 118.68 128.61 2hgp s LEU 8 Ca 0.02 -2.13 -0.14 0.00 -2.89 0.00 0.00 54.13 48.99 2hgp s LEU 8 Cb -0.12 -1.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.09 2hgp s LEU 8 CO -0.04 -0.38 0.33 0.00 -1.89 0.00 0.00 176.35 174.38 2hgp s ARG 9 N 0.93 3.99 0.28 1.98 1.70 -1.26 -1.23 118.95 125.34 2hgp s ARG 9 Ca 0.11 -0.04 0.03 0.00 -0.47 0.00 0.00 55.73 55.35 2hgp s ARG 9 Cb -0.19 -3.66 -0.06 0.00 -0.57 0.00 0.00 34.95 30.47 2hgp s ARG 9 CO -0.08 -0.26 0.07 0.20 -1.08 0.00 0.00 175.30 174.14 2hgp s GLY 10 N 1.67 1.85 -0.10 3.88 0.00 -0.22 -4.13 107.32 110.27 2hgp s GLY 10 Ca 0.13 -1.93 -0.09 0.00 0.00 0.00 0.00 44.72 42.83 2hgp s GLY 10 CO 0.10 -1.69 -0.17 0.33 0.00 0.00 0.00 173.10 171.67 2hgp n PHE 11 N -0.55 0.27 -2.02 1.90 -0.00 -1.01 -1.15 117.46 114.91 2hgp n PHE 11 Ca -0.02 0.12 -0.38 0.00 -0.00 0.00 0.00 57.45 57.17 2hgp n PHE 11 Cb 0.66 -0.44 0.01 0.00 -0.00 0.00 0.00 39.48 39.72 2hgp n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2hgp s ASP 12 N -5.08 5.85 -0.45 -2.13 -1.08 -1.26 -4.71 116.67 107.82 2hgp s ASP 12 Ca -0.14 2.58 -0.01 0.00 -0.52 0.00 0.00 52.55 54.46 2hgp s ASP 12 Cb 0.02 -2.63 0.32 0.00 -1.46 0.00 0.00 42.92 39.17 2hgp s ASP 12 CO 0.21 -1.16 2.00 1.57 0.52 0.00 0.00 175.17 178.31 2hgp n HIS 13 N -0.54 2.19 0.00 -5.34 -0.00 -1.26 -3.11 115.22 107.17 2hgp n HIS 13 Ca 0.08 -2.32 0.00 0.00 -0.00 0.00 0.00 57.72 55.48 2hgp n HIS 13 Cb 0.46 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.32 2hgp n HIS 13 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgp n LYS 14 N -0.18 2.12 -0.04 1.57 4.01 -1.26 -4.77 118.16 119.61 2hgp n LYS 14 Ca 0.43 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 58.09 2hgp n LYS 14 Cb 0.66 -0.29 -0.09 0.00 -0.51 0.00 0.00 35.03 34.80 2hgp n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgp h THR 15 N 0.00 1.39 -0.22 -0.18 1.03 -1.87 -0.30 112.91 112.77 2hgp h THR 15 Ca 0.00 -1.35 -0.02 0.00 -0.01 0.00 0.00 66.41 65.02 2hgp h THR 15 Cb 0.00 2.10 -0.01 0.00 -1.07 0.00 0.00 68.15 69.16 2hgp h THR 15 CO 0.00 0.38 0.03 -0.07 -0.01 0.00 0.00 175.52 175.85 2hgp h LEU 16 N -0.23 0.28 0.58 0.00 -0.00 -1.86 -1.02 115.31 113.06 2hgp h LEU 16 Ca 0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 2hgp h LEU 16 Cb 0.67 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2hgp h LEU 16 CO 0.03 0.31 -0.28 0.44 -0.00 0.00 0.00 178.44 178.94 2hgp h ASP 17 N 0.31 -0.65 -0.41 -0.43 3.32 -1.80 -0.36 116.42 116.40 2hgp h ASP 17 Ca 0.07 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2hgp h ASP 17 Cb 0.16 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2hgp h ASP 17 CO -0.00 -0.30 0.09 0.00 -1.72 0.00 0.00 179.24 177.32 2hgp h ALA 18 N -0.85 0.45 0.18 3.45 0.00 -0.93 -0.40 119.26 121.17 2hgp h ALA 18 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hgp h ALA 18 Cb 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hgp h ALA 18 CO 0.13 -0.31 -0.16 0.77 0.00 0.00 0.00 179.25 179.69 2hgp h SER 19 N 0.23 -0.42 -0.76 0.00 0.02 -1.18 -0.75 113.55 110.68 2hgp h SER 19 Ca 0.20 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2hgp h SER 19 Cb 0.23 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2hgp h SER 19 CO -0.25 -0.21 0.50 0.00 -1.14 0.00 0.00 176.83 175.73 2hgp h ALA 20 N -1.54 1.60 0.98 3.77 0.00 -1.07 -1.04 119.26 121.97 2hgp h ALA 20 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2hgp h ALA 20 Cb 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hgp h ALA 20 CO -0.01 0.30 -0.47 0.37 0.00 0.00 0.00 179.25 179.44 2hgp h GLN 21 N 0.87 -1.27 -0.41 0.00 4.15 -1.04 -0.11 115.11 117.29 2hgp h GLN 21 Ca 0.32 0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.86 2hgp h GLN 21 Cb 0.15 0.29 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2hgp h GLN 21 CO -0.10 -0.85 0.18 0.87 -1.93 0.00 0.00 178.83 177.00 2hgp h LYS 22 N -1.35 0.36 -0.46 1.69 1.79 -0.94 -1.14 116.57 116.53 2hgp h LYS 22 Ca -0.13 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.22 2hgp h LYS 22 Cb 1.01 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 2hgp h LYS 22 CO 0.22 0.24 -0.09 0.82 -1.08 0.00 0.00 179.45 179.56 2hgp h ILE 23 N 0.37 1.26 0.10 1.86 5.03 -1.18 -0.36 117.51 124.59 2hgp h ILE 23 Ca 0.18 -1.16 -0.27 0.00 -0.12 0.00 0.00 64.86 63.49 2hgp h ILE 23 Cb 0.13 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 2hgp h ILE 23 CO -0.15 0.40 -1.30 0.58 -0.68 0.00 0.00 178.15 177.00 2hgp h VAL 24 N 0.74 1.42 0.12 1.67 2.07 -0.96 -2.95 116.25 118.37 2hgp h VAL 24 Ca 0.13 -3.04 -0.32 0.00 0.82 0.00 0.00 66.70 64.29 2hgp h VAL 24 Cb 0.58 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2hgp h VAL 24 CO 0.04 0.87 -1.63 -0.33 0.02 0.00 0.00 177.57 176.54 2hgp h GLU 25 N 0.06 0.25 0.15 1.57 5.08 -1.25 -3.31 114.58 117.13 2hgp h GLU 25 Ca -0.15 -0.43 -0.29 0.00 -1.00 0.00 0.00 59.36 57.49 2hgp h GLU 25 Cb 1.96 0.16 0.02 0.00 0.50 0.00 0.00 28.75 31.39 2hgp h GLU 25 CO 0.18 1.10 -1.28 0.00 -1.00 0.00 0.00 179.01 178.01 2hgp h ALA 26 N 0.43 0.03 -0.03 3.43 0.00 -1.23 -3.00 119.26 118.89 2hgp h ALA 26 Ca -0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 2hgp h ALA 26 Cb 2.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2hgp h ALA 26 CO 0.15 0.80 0.02 0.00 0.00 0.00 0.00 179.25 180.21 2hgp n ALA 27 N -2.63 2.59 -1.31 0.00 0.00 -1.11 -3.16 120.51 114.90 2hgp n ALA 27 Ca -0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 2hgp n ALA 27 Cb 1.02 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2hgp n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgp n ARG 28 N 0.29 2.22 -2.38 0.00 1.74 -1.13 -3.15 116.66 114.24 2hgp n ARG 28 Ca 0.02 -3.10 -0.02 0.00 -0.77 0.00 0.00 57.85 53.98 2hgp n ARG 28 Cb 0.45 -1.98 0.08 0.00 -1.02 0.00 0.00 32.46 29.99 2hgp n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgp n ARG 29 N -1.01 1.16 0.03 5.56 1.74 -1.19 -4.91 116.66 118.03 2hgp n ARG 29 Ca 0.42 -1.69 0.00 0.00 -0.77 0.00 0.00 57.85 55.81 2hgp n ARG 29 Cb 1.27 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.71 2hgp n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2hgp n SER 30 N -1.01 -0.48 0.00 0.55 3.41 -1.26 -4.75 113.62 110.08 2hgp n SER 30 Ca -0.13 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hgp n SER 30 Cb 0.85 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 2hgp n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgp n GLY 31 N -1.47 -2.18 0.66 5.00 0.00 -1.19 -4.20 105.19 101.82 2hgp n GLY 31 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.84 2hgp n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgp n ALA 32 N -3.00 2.75 -0.38 4.61 0.00 0.24 -4.62 120.51 120.11 2hgp n ALA 32 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 2hgp n ALA 32 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2hgp n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2hgp n GLN 33 N -0.66 0.00 0.00 0.00 -0.06 -1.26 -4.81 117.38 110.59 2hgp n GLN 33 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 2hgp n GLN 33 Cb 0.79 -0.98 0.00 0.00 -4.06 0.00 0.00 30.24 25.99 2hgp n GLN 33 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2hgp n VAL 34 N -2.05 0.00 -2.72 1.69 0.31 -1.25 -4.44 118.33 109.87 2hgp n VAL 34 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2hgp n VAL 34 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 2hgp n VAL 34 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hgp n SER 35 N 0.02 0.42 -1.78 4.52 2.88 0.91 -4.23 113.62 116.36 2hgp n SER 35 Ca 0.00 -2.41 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 2hgp n SER 35 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2hgp n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgp n GLY 36 N -0.51 -2.21 3.47 0.46 0.00 -1.26 -4.49 105.19 100.64 2hgp n GLY 36 Ca 0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2hgp n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgp n PRO 37 N 1.71 0.00 -1.56 1.61 -0.04 -1.26 -4.53 135.00 130.93 2hgp n PRO 37 Ca 0.00 -0.95 -0.53 0.00 -0.04 0.00 0.00 63.50 61.98 2hgp n PRO 37 Cb 0.00 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 30.96 2hgp n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2hgp n ILE 38 N 6.82 0.28 0.00 0.52 5.41 -1.26 -4.57 119.36 126.56 2hgp n ILE 38 Ca 0.44 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 64.04 2hgp n ILE 38 Cb 0.41 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.87 2hgp n ILE 38 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2hgp n PRO 39 N 6.98 0.00 0.00 0.38 -0.04 -1.26 -0.85 135.00 140.21 2hgp n PRO 39 Ca 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2hgp n PRO 39 Cb 0.19 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 2hgp n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hgp n LEU 40 N 0.00 0.00 -4.54 1.53 4.77 -1.23 -3.71 117.00 113.83 2hgp n LEU 40 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2hgp n LEU 40 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2hgp n LEU 40 CO 0.00 0.00 1.15 -0.81 -1.33 0.00 0.00 177.39 176.40 2hgp n PRO 41 N -1.00 0.25 -0.67 3.23 -0.04 -1.26 -4.52 135.00 130.98 2hgp n PRO 41 Ca 0.00 -1.25 -0.27 0.00 -0.04 0.00 0.00 63.50 61.94 2hgp n PRO 41 Cb 0.00 -3.60 -0.04 0.00 -0.04 0.00 0.00 33.50 29.82 2hgp n PRO 41 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2hgp n THR 42 N 8.63 0.00 -2.97 0.52 -1.04 -1.26 -4.80 114.28 113.35 2hgp n THR 42 Ca 0.42 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 62.03 2hgp n THR 42 Cb 0.45 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 2hgp n THR 42 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hgp s ARG 43 N 1.26 4.57 -0.05 -2.82 3.52 -0.03 -4.92 118.95 120.48 2hgp s ARG 43 Ca 0.42 1.16 0.06 0.00 -0.13 0.00 0.00 55.73 57.24 2hgp s ARG 43 Cb -0.59 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2hgp s ARG 43 CO 0.32 0.56 -0.24 0.08 -0.81 0.00 0.00 175.30 175.21 2hgp s VAL 44 N -1.11 1.96 -0.25 7.11 1.01 -1.26 -1.04 120.40 126.81 2hgp s VAL 44 Ca 0.36 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2hgp s VAL 44 Cb -0.23 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.56 2hgp s VAL 44 CO 0.26 0.55 -0.04 -0.13 0.00 0.00 0.00 175.10 175.74 2hgp s ARG 45 N -0.16 1.64 0.21 2.72 1.81 -0.17 -5.01 118.95 119.99 2hgp s ARG 45 Ca -0.03 -1.14 -0.10 0.00 -1.72 0.00 0.00 55.73 52.75 2hgp s ARG 45 Cb -0.13 -2.66 -0.07 0.00 -0.45 0.00 0.00 34.95 31.64 2hgp s ARG 45 CO 0.03 -0.65 0.53 1.03 -0.68 0.00 0.00 175.30 175.56 2hgp s ARG 46 N 1.31 3.80 -0.11 3.54 1.81 -1.26 -0.96 118.95 127.08 2hgp s ARG 46 Ca -0.04 0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 54.15 2hgp s ARG 46 Cb -0.19 -2.70 0.03 0.00 -0.45 0.00 0.00 34.95 31.64 2hgp s ARG 46 CO -0.07 0.35 0.29 -0.59 -0.68 0.00 0.00 175.30 174.60 2hgp s PHE 47 N -1.75 -0.34 0.17 -0.53 -0.12 -0.08 -4.98 117.98 110.35 2hgp s PHE 47 Ca 0.45 0.82 0.11 0.00 -0.05 0.00 0.00 56.93 58.26 2hgp s PHE 47 Cb -0.12 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2hgp s PHE 47 CO 0.21 -0.19 -0.23 0.99 -0.05 0.00 0.00 175.22 175.95 2hgp s THR 48 N 0.53 2.19 -0.06 -4.49 2.01 -1.26 -1.08 115.64 113.47 2hgp s THR 48 Ca -0.03 -1.93 -0.31 0.00 0.31 0.00 0.00 61.69 59.73 2hgp s THR 48 Cb -0.05 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.53 2hgp s THR 48 CO -0.03 -0.12 0.71 -0.69 -0.69 0.00 0.00 174.62 173.81 2hgp s VAL 49 N -1.60 0.00 0.06 3.82 1.01 -0.36 -4.95 120.40 118.38 2hgp s VAL 49 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.83 2hgp s VAL 49 Cb -0.08 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.18 2hgp s VAL 49 CO 0.08 0.00 1.80 -0.38 0.00 0.00 0.00 175.10 176.60 2hgp n ILE 50 N 0.90 0.38 0.09 2.22 5.41 -1.26 -2.73 119.36 124.37 2hgp n ILE 50 Ca -0.18 -0.07 -0.16 0.00 1.00 0.00 0.00 62.75 63.34 2hgp n ILE 50 Cb 0.57 -1.92 -0.14 0.00 -0.71 0.00 0.00 39.64 37.44 2hgp n ILE 50 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2hgp h ARG 51 N 8.31 0.27 -4.58 0.38 3.08 -1.79 -3.40 114.38 116.65 2hgp h ARG 51 Ca -0.47 -0.46 -0.73 0.00 0.07 0.00 0.00 59.98 58.39 2hgp h ARG 51 Cb 1.25 0.17 -0.20 0.00 0.08 0.00 0.00 29.97 31.26 2hgp h ARG 51 CO 0.93 1.19 0.77 0.20 -1.07 0.00 0.00 179.97 182.00 2hgp s GLY 52 N -4.74 2.32 0.02 0.04 0.00 -1.26 -4.92 107.32 98.78 2hgp s GLY 52 Ca -0.05 -3.13 -0.13 0.00 0.00 0.00 0.00 44.72 41.41 2hgp s GLY 52 CO 0.88 1.80 0.32 -1.55 0.00 0.00 0.00 173.10 174.55 2hgp n PRO 53 N 5.44 0.00 -1.33 2.90 -0.04 -1.26 -4.56 135.00 136.14 2hgp n PRO 53 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2hgp n PRO 53 Cb 0.46 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2hgp n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2hgp n PHE 54 N 0.35 -3.65 0.00 0.54 7.35 -1.26 -4.89 117.46 115.90 2hgp n PHE 54 Ca 0.07 1.98 0.00 0.00 -0.76 0.00 0.00 57.45 58.73 2hgp n PHE 54 Cb 0.05 -3.14 0.00 0.00 0.35 0.00 0.00 39.48 36.74 2hgp n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2hgp n LYS 55 N -2.29 0.00 0.00 -4.13 2.85 -1.26 -4.92 118.16 108.41 2hgp n LYS 55 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2hgp n LYS 55 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 2hgp n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2hgp n HIS 56 N 0.30 0.00 -0.50 5.58 8.25 -1.26 -5.02 115.22 122.56 2hgp n HIS 56 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2hgp n HIS 56 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2hgp n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2hgp n LYS 57 N 0.00 1.18 0.00 -0.41 4.81 -1.26 -2.68 118.16 119.80 2hgp n LYS 57 Ca 0.00 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.69 2hgp n LYS 57 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.09 2hgp n LYS 57 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hgp n ASP 58 N 3.37 0.00 0.13 3.14 8.00 -1.26 -5.01 116.55 124.92 2hgp n ASP 58 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2hgp n ASP 58 Cb 0.30 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 2hgp n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2hgp h SER 59 N 0.00 0.00 -0.01 -2.24 0.02 -1.87 -3.47 113.55 105.98 2hgp h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hgp h SER 59 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hgp h SER 59 CO 0.00 0.62 0.00 0.54 -1.14 0.00 0.00 176.83 176.85 2hgp n ARG 60 N -3.35 2.61 -3.85 3.45 3.00 -1.24 -3.39 116.66 113.88 2hgp n ARG 60 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2hgp n ARG 60 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.20 2hgp n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2hgp n GLU 61 N -0.02 -2.85 -4.01 5.56 2.13 -1.11 -4.53 120.64 115.82 2hgp n GLU 61 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2hgp n GLU 61 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2hgp n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2hgp s HIS 62 N -2.48 0.43 0.00 4.31 -3.43 -1.26 -1.22 115.29 111.64 2hgp s HIS 62 Ca 0.00 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 2hgp s HIS 62 Cb 0.00 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 2hgp s HIS 62 CO 0.00 -1.00 0.00 1.97 -2.00 0.00 0.00 174.74 173.71 2hgp n PHE 63 N -0.39 -0.29 -3.54 0.38 1.16 -0.24 -4.99 117.46 109.55 2hgp n PHE 63 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.46 2hgp n PHE 63 Cb 0.62 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.47 2hgp n PHE 63 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 2hgp s GLU 64 N -0.96 1.33 0.05 3.97 -1.05 -1.26 -0.90 118.70 119.88 2hgp s GLU 64 Ca 0.00 -0.57 0.07 0.00 -0.15 0.00 0.00 54.97 54.32 2hgp s GLU 64 Cb 0.00 0.56 -0.03 0.00 -0.44 0.00 0.00 34.13 34.23 2hgp s GLU 64 CO 0.00 -0.59 -0.21 -1.17 0.95 0.00 0.00 175.26 174.24 2hgp s LEU 65 N -2.76 2.18 0.00 1.83 0.20 -0.14 -4.99 118.68 115.00 2hgp s LEU 65 Ca 0.04 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 2hgp s LEU 65 Cb -0.02 -0.97 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 2hgp s LEU 65 CO -0.08 0.15 0.25 -2.11 -0.29 0.00 0.00 176.35 174.27 2hgp n ARG 66 N 1.79 0.36 -3.79 1.98 1.85 -1.26 -1.00 116.66 116.58 2hgp n ARG 66 Ca -0.17 -0.87 -0.25 0.00 -1.00 0.00 0.00 57.85 55.56 2hgp n ARG 66 Cb 0.53 0.98 -0.17 0.00 -1.05 0.00 0.00 32.46 32.76 2hgp n ARG 66 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2hgp s THR 67 N -2.64 0.56 0.05 8.89 2.01 -0.21 -4.76 115.64 119.53 2hgp s THR 67 Ca 0.07 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 2hgp s THR 67 Cb -0.01 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 2hgp s THR 67 CO 0.05 0.17 0.40 -1.00 -0.69 0.00 0.00 174.62 173.56 2hgp s HIS 68 N 1.89 3.63 -0.10 4.92 0.09 -0.30 -0.85 115.29 124.57 2hgp s HIS 68 Ca 0.04 0.86 0.03 0.00 -0.00 0.00 0.00 55.06 55.98 2hgp s HIS 68 Cb -0.13 -2.20 0.01 0.00 -0.00 0.00 0.00 32.58 30.25 2hgp s HIS 68 CO -0.06 0.56 -0.19 -0.80 -0.00 0.00 0.00 174.74 174.25 2hgp s ASN 69 N -1.51 2.62 -0.17 1.40 0.01 -1.26 -1.05 114.94 114.98 2hgp s ASN 69 Ca 0.29 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2hgp s ASN 69 Cb -0.15 -1.20 0.02 0.00 0.41 0.00 0.00 41.25 40.33 2hgp s ASN 69 CO 0.16 0.09 -0.19 -0.13 -1.51 0.00 0.00 177.10 175.52 2hgp s ARG 70 N 0.62 2.85 -0.66 -0.60 1.81 -0.36 -3.49 118.95 119.12 2hgp s ARG 70 Ca -0.14 -0.77 0.01 0.00 -1.72 0.00 0.00 55.73 53.10 2hgp s ARG 70 Cb -0.16 -2.46 0.40 0.00 -0.45 0.00 0.00 34.95 32.27 2hgp s ARG 70 CO 0.04 -0.20 1.73 1.28 -0.68 0.00 0.00 175.30 177.47 2hgp n LEU 71 N 4.61 6.64 0.00 2.53 7.99 -0.03 -1.04 117.00 137.70 2hgp n LEU 71 Ca -0.20 -4.82 0.00 0.00 -0.01 0.00 0.00 56.01 50.98 2hgp n LEU 71 Cb 0.50 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 2hgp n LEU 71 CO 0.25 1.85 0.00 0.52 -1.51 0.00 0.00 177.39 178.50 2hgp n VAL 72 N -0.61 0.00 0.00 4.08 0.31 -1.26 -4.33 118.33 116.52 2hgp n VAL 72 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2hgp n VAL 72 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2hgp n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2hgp n ASP 73 N 0.00 -0.88 -3.83 4.52 9.92 -1.26 -4.17 116.55 120.84 2hgp n ASP 73 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 2hgp n ASP 73 Cb 0.00 0.56 -0.15 0.00 -0.64 0.00 0.00 41.12 40.89 2hgp n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2hgp s ILE 74 N -1.00 0.11 0.53 0.53 1.01 -0.27 0.31 121.20 122.42 2hgp s ILE 74 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2hgp s ILE 74 Cb 0.00 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.32 2hgp s ILE 74 CO 0.00 0.10 0.75 -0.63 0.00 0.00 0.00 174.94 175.15 2hgp s ILE 75 N 0.69 2.98 -0.44 2.92 1.01 -1.26 -1.14 121.20 125.95 2hgp s ILE 75 Ca -0.06 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2hgp s ILE 75 Cb -0.09 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2hgp s ILE 75 CO -0.01 -0.08 0.61 0.59 0.00 0.00 0.00 174.94 176.05 2hgp n ASN 76 N -2.27 -7.77 -0.62 3.58 5.03 -1.26 0.83 115.26 112.78 2hgp n ASN 76 Ca 0.06 0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.97 2hgp n ASN 76 Cb 0.59 -5.11 0.00 0.00 -1.02 0.00 0.00 39.78 34.24 2hgp n ASN 76 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2hgp n PRO 77 N -0.36 0.00 -1.50 3.52 -0.04 -1.26 -4.00 135.00 131.36 2hgp n PRO 77 Ca 0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 2hgp n PRO 77 Cb 0.48 -0.79 -0.17 0.00 -0.04 0.00 0.00 33.50 32.98 2hgp n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2hgp n ASN 78 N 0.33 -0.17 0.00 3.54 4.05 -1.26 -4.77 115.26 116.98 2hgp n ASN 78 Ca 0.00 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2hgp n ASN 78 Cb 0.00 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.18 2hgp n ASN 78 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2hgp n ARG 79 N 7.67 0.00 0.00 1.20 0.00 -1.26 -1.09 116.66 123.18 2hgp n ARG 79 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 2hgp n ARG 79 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.53 2hgp n ARG 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgp n LYS 80 N -0.23 0.00 -0.28 -0.14 3.00 -1.26 -1.05 118.16 118.21 2hgp n LYS 80 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 2hgp n LYS 80 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 2hgp n LYS 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2hgp h THR 81 N 0.00 0.44 0.00 3.15 2.02 -1.28 -0.89 112.91 116.35 2hgp h THR 81 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2hgp h THR 81 Cb 0.00 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2hgp h THR 81 CO 0.00 0.05 0.47 0.40 0.37 0.00 0.00 175.52 176.82 2hgp h ILE 82 N 0.29 0.00 0.00 3.11 2.04 -1.34 0.12 117.51 121.73 2hgp h ILE 82 Ca 0.50 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.36 2hgp h ILE 82 Cb 0.93 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2hgp h ILE 82 CO -0.56 0.00 -0.02 1.21 0.00 0.00 0.00 178.15 178.78 2hgp n GLU 83 N -2.02 1.48 -0.32 2.37 4.07 -0.34 -3.18 120.64 122.71 2hgp n GLU 83 Ca -0.01 -2.36 0.07 0.00 -0.06 0.00 0.00 57.16 54.81 2hgp n GLU 83 Cb 0.49 -1.39 0.22 0.00 -0.06 0.00 0.00 31.44 30.70 2hgp n GLU 83 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2hgp n GLN 84 N -1.25 3.00 0.00 5.31 1.13 0.03 -4.54 117.38 121.07 2hgp n GLN 84 Ca 0.13 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 2hgp n GLN 84 Cb 0.58 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.41 2hgp n GLN 84 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2hgp n LEU 85 N 0.42 0.00 0.08 1.08 4.32 -1.25 -3.04 117.00 118.60 2hgp n LEU 85 Ca 0.17 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.23 2hgp n LEU 85 Cb 0.62 0.17 0.36 0.00 -1.62 0.00 0.00 43.42 42.94 2hgp n LEU 85 CO 0.13 -0.18 0.73 0.80 -1.22 0.00 0.00 177.39 177.65 2hgp n MET 86 N -1.87 0.09 -0.56 3.23 1.56 -1.19 -2.97 117.12 115.41 2hgp n MET 86 Ca 0.00 0.47 -0.00 0.00 -0.27 0.00 0.00 57.70 57.89 2hgp n MET 86 Cb 0.00 -1.73 -0.00 0.00 2.15 0.00 0.00 33.22 33.64 2hgp n MET 86 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2hgp n THR 87 N -1.91 0.00 -2.66 1.12 -1.04 -1.26 -4.88 114.28 103.65 2hgp n THR 87 Ca 0.01 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 2hgp n THR 87 Cb 0.10 0.22 0.03 0.00 -1.82 0.00 0.00 70.33 68.86 2hgp n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hgp n LEU 88 N 0.02 1.86 -4.98 -4.42 4.77 -1.16 -5.03 117.00 108.06 2hgp n LEU 88 Ca -0.01 -3.74 -0.18 0.00 -0.03 0.00 0.00 56.01 52.05 2hgp n LEU 88 Cb 0.60 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2hgp n LEU 88 CO -0.01 1.53 0.12 1.51 -1.33 0.00 0.00 177.39 179.21 2hgp s ASP 89 N -3.31 5.57 0.00 -1.43 -4.77 -1.21 -4.50 116.67 107.01 2hgp s ASP 89 Ca 0.30 -0.46 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 2hgp s ASP 89 Cb 0.42 -0.68 0.00 0.00 -1.09 0.00 0.00 42.92 41.57 2hgp s ASP 89 CO 0.00 -0.72 0.00 0.18 0.70 0.00 0.00 175.17 175.33 2hgp n LEU 90 N -1.78 0.00 0.00 2.11 4.77 -1.26 -5.14 117.00 115.69 2hgp n LEU 90 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2hgp n LEU 90 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2hgp n LEU 90 CO 0.40 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.65 2hgp n PRO 91 N -0.11 0.93 0.00 3.23 -0.04 -1.26 -5.04 135.00 132.72 2hgp n PRO 91 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2hgp n PRO 91 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2hgp n PRO 91 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2hgp n THR 92 N -0.47 0.00 -0.84 0.52 5.66 -1.26 -4.99 114.28 112.91 2hgp n THR 92 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 2hgp n THR 92 Cb 0.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 2hgp n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hgp n GLY 93 N -0.11 4.30 0.00 1.09 0.00 -1.26 -4.89 105.19 104.32 2hgp n GLY 93 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2hgp n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgp n VAL 94 N -0.16 0.00 -3.51 1.61 0.31 -1.26 -2.40 118.33 112.92 2hgp n VAL 94 Ca 0.39 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.55 2hgp n VAL 94 Cb 0.78 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.66 2hgp n VAL 94 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2hgp s GLU 95 N 1.66 1.07 -1.11 5.55 1.03 -1.26 -5.04 118.70 120.61 2hgp s GLU 95 Ca 0.00 0.16 -0.22 0.00 0.03 0.00 0.00 54.97 54.94 2hgp s GLU 95 Cb 0.00 0.50 0.02 0.00 -0.80 0.00 0.00 34.13 33.85 2hgp s GLU 95 CO 0.00 -0.36 1.71 0.96 -1.33 0.00 0.00 175.26 176.24 2hgp s ILE 96 N -1.53 3.83 -0.48 1.83 -4.36 -1.26 -4.35 121.20 114.89 2hgp s ILE 96 Ca -0.09 -1.06 -0.22 0.00 -0.26 0.00 0.00 60.65 59.01 2hgp s ILE 96 Cb -0.00 -4.83 0.03 0.00 1.25 0.00 0.00 42.46 38.91 2hgp s ILE 96 CO 0.07 -1.63 0.76 -1.61 0.24 0.00 0.00 174.94 172.77 2hgp s GLU 97 N 5.37 3.32 -0.04 0.37 0.41 -0.45 -5.02 118.70 122.66 2hgp s GLU 97 Ca 0.57 -0.31 0.06 0.00 -0.41 0.00 0.00 54.97 54.88 2hgp s GLU 97 Cb -0.00 -3.99 -0.02 0.00 -1.78 0.00 0.00 34.13 28.34 2hgp s GLU 97 CO 0.01 -1.19 -0.23 0.42 -0.49 0.00 0.00 175.26 173.79 2hgp s ILE 98 N 3.23 2.31 0.00 -1.63 1.09 -1.26 -0.91 121.20 124.03 2hgp s ILE 98 Ca 0.26 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 58.82 2hgp s ILE 98 Cb -0.14 -1.84 0.00 0.00 -1.06 0.00 0.00 42.46 39.42 2hgp s ILE 98 CO 0.20 0.58 0.00 0.29 -0.10 0.00 0.00 174.94 175.90 2hgp n LYS 99 N 2.64 0.00 0.00 2.79 4.76 -0.09 -5.01 118.16 123.26 2hgp n LYS 99 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2hgp n LYS 99 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2hgp n LYS 99 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66