#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s MET 7 N 0.00 0.37 -0.14 -0.14 -1.94 -1.26 -4.97 119.30 111.22 2hgq s MET 7 Ca 0.00 0.74 0.13 0.00 -1.71 0.00 0.00 55.69 54.85 2hgq s MET 7 Cb 0.00 0.42 0.30 0.00 2.01 0.00 0.00 34.83 37.56 2hgq s MET 7 CO 0.00 -0.32 1.21 0.36 -0.01 0.00 0.00 175.02 176.26 2hgq n LYS 8 N 5.35 0.69 -1.41 2.03 2.85 -1.26 -3.37 118.16 123.04 2hgq n LYS 8 Ca -0.06 -1.72 -0.36 0.00 -1.05 0.00 0.00 58.31 55.12 2hgq n LYS 8 Cb 0.52 -0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.97 2hgq n LYS 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 2hgq n TYR 9 N -0.44 0.48 -4.03 5.58 0.18 -1.26 -3.65 117.16 114.02 2hgq n TYR 9 Ca -0.12 0.40 -0.45 0.00 1.88 0.00 0.00 57.90 59.62 2hgq n TYR 9 Cb 0.86 -2.07 0.02 0.00 -0.38 0.00 0.00 39.34 37.77 2hgq n TYR 9 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2hgq n ARG 10 N -1.47 -0.39 0.00 -3.48 1.74 -1.26 -4.93 116.66 106.87 2hgq n ARG 10 Ca 0.13 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2hgq n ARG 10 Cb 0.49 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2hgq n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgq n LYS 11 N -4.84 0.00 0.00 5.56 4.81 -1.24 -5.03 118.16 117.43 2hgq n LYS 11 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2hgq n LYS 11 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2hgq n LYS 11 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2hgq n GLN 12 N 0.00 0.00 -2.84 1.64 0.00 -1.26 -5.15 117.38 109.76 2hgq n GLN 12 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.91 2hgq n GLN 12 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 2hgq n GLN 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2hgq n GLN 13 N -0.27 1.10 0.00 3.69 1.13 -1.26 -5.12 117.38 116.65 2hgq n GLN 13 Ca 0.00 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 2hgq n GLN 13 Cb 0.00 0.52 0.00 0.00 0.11 0.00 0.00 30.24 30.87 2hgq n GLN 13 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hgq n ARG 14 N -0.35 0.00 -4.35 -1.09 5.12 -1.26 -5.08 116.66 109.65 2hgq n ARG 14 Ca -0.04 0.05 -0.18 0.00 -1.93 0.00 0.00 57.85 55.76 2hgq n ARG 14 Cb 0.21 -0.36 -0.10 0.00 -1.16 0.00 0.00 32.46 31.04 2hgq n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2hgq s GLY 15 N -1.93 1.59 0.00 -0.13 0.00 -1.26 -4.64 107.32 100.95 2hgq s GLY 15 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2hgq s GLY 15 CO 0.00 -1.70 0.00 0.54 0.00 0.00 0.00 173.10 171.94 2hgq n ARG 16 N -0.44 0.00 -0.37 2.90 5.12 -1.26 -5.05 116.66 117.56 2hgq n ARG 16 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2hgq n ARG 16 Cb 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.94 2hgq n ARG 16 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2hgq n LEU 17 N 0.00 0.00 -3.88 0.55 4.32 -1.26 -5.14 117.00 111.59 2hgq n LEU 17 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 2hgq n LEU 17 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 2hgq n LEU 17 CO 0.00 0.00 -0.37 -1.59 -1.22 0.00 0.00 177.39 174.21 2hgq s LYS 18 N 0.28 0.08 0.00 3.23 -2.85 -1.26 -5.07 119.74 114.15 2hgq s LYS 18 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 2hgq s LYS 18 Cb 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 2hgq s LYS 18 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2hgq n GLY 19 N 3.16 -1.41 0.00 0.59 0.00 -1.26 -5.20 105.19 101.07 2hgq n GLY 19 Ca -0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2hgq n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq n ALA 20 N -2.35 -0.35 0.00 4.61 0.00 -1.26 -5.12 120.51 116.04 2hgq n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 20 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2hgq n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2hgq n THR 21 N -0.61 0.00 0.00 0.00 5.66 -1.26 -5.18 114.28 112.89 2hgq n THR 21 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2hgq n THR 21 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2hgq n THR 21 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2hgq n LYS 22 N 0.00 0.00 0.00 1.09 3.00 -1.26 -4.76 118.16 116.23 2hgq n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgq n LYS 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgq n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgq n GLY 23 N -0.68 0.55 2.68 3.14 0.00 -1.26 -4.80 105.19 104.83 2hgq n GLY 23 Ca 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 2hgq n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 24 N 0.00 -1.24 3.16 -0.02 0.00 -1.26 -5.09 105.19 100.73 2hgq n GLY 24 Ca 0.00 0.77 -0.25 0.00 0.00 0.00 0.00 46.02 46.53 2hgq n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgq s ASP 25 N -0.50 2.13 0.20 1.61 1.11 -1.26 -4.97 116.67 114.99 2hgq s ASP 25 Ca 0.25 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.64 2hgq s ASP 25 Cb 0.25 -0.38 0.00 0.00 1.07 0.00 0.00 42.92 43.85 2hgq s ASP 25 CO -0.14 0.19 0.00 0.00 1.18 0.00 0.00 175.17 176.40 2hgq n TYR 26 N 2.84 -3.15 0.00 4.23 0.18 -1.26 -3.73 117.16 116.28 2hgq n TYR 26 Ca -0.16 0.69 0.00 0.00 1.88 0.00 0.00 57.90 60.31 2hgq n TYR 26 Cb 0.53 1.94 0.00 0.00 -0.38 0.00 0.00 39.34 41.44 2hgq n TYR 26 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2hgq n VAL 27 N -2.94 0.00 -2.61 -3.48 3.14 -1.26 -4.83 118.33 106.34 2hgq n VAL 27 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2hgq n VAL 27 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2hgq n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgq n ALA 28 N -0.08 0.00 0.00 1.55 0.00 -1.26 -4.81 120.51 115.91 2hgq n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgq n PHE 29 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.96 117.46 111.24 2hgq n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2hgq n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2hgq n PHE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hgq n GLY 30 N 0.00 0.32 0.54 7.13 0.00 -1.26 -4.97 105.19 106.95 2hgq n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgq n ASP 31 N 0.00 -0.81 -3.92 1.61 10.43 -1.26 -5.02 116.55 117.57 2hgq n ASP 31 Ca 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.07 2hgq n ASP 31 Cb 0.00 -0.14 -0.11 0.00 1.84 0.00 0.00 41.12 42.71 2hgq n ASP 31 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2hgq s TYR 32 N -2.00 3.63 -0.02 1.24 1.51 -1.26 -4.38 117.35 116.07 2hgq s TYR 32 Ca 0.00 -3.31 0.03 0.00 -1.01 0.00 0.00 57.07 52.77 2hgq s TYR 32 Cb 0.00 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 2hgq s TYR 32 CO 0.00 -0.56 -0.08 0.20 -1.11 0.00 0.00 175.55 173.99 2hgq s GLY 33 N -1.33 1.70 -0.21 0.71 0.00 -0.31 -1.11 107.32 106.78 2hgq s GLY 33 Ca 0.25 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 44.00 2hgq s GLY 33 CO -0.16 -0.82 -0.14 1.08 0.00 0.00 0.00 173.10 173.06 2hgq s LEU 34 N -1.16 2.61 -0.04 0.66 1.43 0.12 -1.07 118.68 121.23 2hgq s LEU 34 Ca 0.15 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 2hgq s LEU 34 Cb -0.11 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 2hgq s LEU 34 CO 0.05 -0.10 -0.24 0.54 0.23 0.00 0.00 176.35 176.82 2hgq s VAL 35 N 1.26 1.95 0.00 -1.59 0.11 0.01 -0.94 120.40 121.21 2hgq s VAL 35 Ca -0.01 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2hgq s VAL 35 Cb -0.16 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2hgq s VAL 35 CO -0.09 0.55 0.00 0.00 -3.33 0.00 0.00 175.10 172.23 2hgq n ALA 36 N 2.81 0.00 0.11 1.54 0.00 -0.20 -1.17 120.51 123.60 2hgq n ALA 36 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2hgq n ALA 36 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2hgq n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgq n LEU 37 N 0.00 -2.03 -2.29 0.00 4.77 -1.21 -3.14 117.00 113.11 2hgq n LEU 37 Ca 0.00 0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 2hgq n LEU 37 Cb 0.00 2.09 0.04 0.00 -2.33 0.00 0.00 43.42 43.22 2hgq n LEU 37 CO 0.00 0.01 0.71 -0.62 -1.33 0.00 0.00 177.39 176.16 2hgq n GLU 38 N -2.93 3.22 0.00 3.23 4.71 -0.33 -0.73 120.64 127.81 2hgq n GLU 38 Ca 0.00 -3.90 0.00 0.00 -0.01 0.00 0.00 57.16 53.25 2hgq n GLU 38 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.15 2hgq n GLU 38 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2hgq n PRO 39 N -0.71 0.00 0.00 3.49 -0.02 -1.21 -4.66 135.00 131.89 2hgq n PRO 39 Ca 0.50 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2hgq n PRO 39 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.22 2hgq n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgq n ALA 40 N -3.00 0.00 -2.25 3.55 0.00 0.04 -4.81 120.51 114.04 2hgq n ALA 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2hgq n ALA 40 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2hgq n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hgq s TRP 41 N -0.25 3.48 -0.06 0.00 0.51 -1.21 -0.75 118.94 120.66 2hgq s TRP 41 Ca 0.00 0.95 -0.02 0.00 -2.12 0.00 0.00 56.10 54.91 2hgq s TRP 41 Cb 0.00 -2.37 0.04 0.00 -0.81 0.00 0.00 33.47 30.33 2hgq s TRP 41 CO 0.00 -0.07 0.12 -1.50 -0.51 0.00 0.00 176.95 174.99 2hgq s ILE 42 N -2.36 -0.11 -0.09 2.03 -1.16 0.46 -4.91 121.20 115.07 2hgq s ILE 42 Ca 0.50 0.26 -0.41 0.00 -0.51 0.00 0.00 60.65 60.48 2hgq s ILE 42 Cb -0.10 -0.22 -0.19 0.00 0.61 0.00 0.00 42.46 42.56 2hgq s ILE 42 CO 0.32 0.11 1.26 1.07 -2.81 0.00 0.00 174.94 174.89 2hgq n THR 43 N 4.59 0.02 -0.24 4.00 5.66 -1.26 -1.01 114.28 126.04 2hgq n THR 43 Ca -0.19 -0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.85 2hgq n THR 43 Cb 0.51 -0.32 0.17 0.00 -1.55 0.00 0.00 70.33 69.13 2hgq n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hgq h ALA 44 N 3.92 0.94 -3.00 1.79 0.00 -1.43 0.18 119.26 121.66 2hgq h ALA 44 Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2hgq h ALA 44 Cb 1.39 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2hgq h ALA 44 CO 0.75 -0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.77 2hgq n GLN 45 N -5.08 0.00 -0.06 0.00 3.00 -1.26 -0.86 117.38 113.12 2hgq n GLN 45 Ca 0.13 0.18 0.02 0.00 -0.01 0.00 0.00 57.00 57.32 2hgq n GLN 45 Cb 0.41 -0.94 0.04 0.00 0.00 0.00 0.00 30.24 29.74 2hgq n GLN 45 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2hgq n GLN 46 N -0.63 -0.01 0.00 -1.09 7.27 -0.99 0.48 117.38 122.41 2hgq n GLN 46 Ca 0.00 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2hgq n GLN 46 Cb 0.00 -0.41 0.00 0.00 2.41 0.00 0.00 30.24 32.24 2hgq n GLN 46 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2hgq n ILE 47 N -4.16 0.00 -0.46 1.69 5.41 0.02 0.68 119.36 122.54 2hgq n ILE 47 Ca 0.03 1.34 0.37 0.00 1.00 0.00 0.00 62.75 65.49 2hgq n ILE 47 Cb 0.11 -2.00 0.66 0.00 -0.71 0.00 0.00 39.64 37.70 2hgq n ILE 47 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2hgq h GLU 48 N 0.00 0.09 0.00 0.38 9.09 1.29 0.76 114.58 126.19 2hgq h GLU 48 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2hgq h GLU 48 Cb 0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 2hgq h GLU 48 CO 0.00 0.06 -0.11 0.00 0.05 0.00 0.00 179.01 179.01 2hgq h ALA 49 N 1.54 -0.60 -0.69 1.06 0.00 0.27 0.12 119.26 120.96 2hgq h ALA 49 Ca 0.81 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.81 2hgq h ALA 49 Cb 2.61 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 20.87 2hgq h ALA 49 CO -0.36 -0.63 -0.36 0.00 0.00 0.00 0.00 179.25 177.89 2hgq h ALA 50 N -1.28 -0.04 -0.91 0.00 0.00 0.23 0.44 119.26 117.70 2hgq h ALA 50 Ca 0.00 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.25 2hgq h ALA 50 Cb 0.15 0.87 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 2hgq h ALA 50 CO -0.07 -0.69 -0.30 2.89 0.00 0.00 0.00 179.25 181.08 2hgq n ARG 51 N -5.44 -0.16 0.00 0.00 -4.01 -0.15 0.02 116.66 106.92 2hgq n ARG 51 Ca 0.05 1.41 0.00 0.00 -1.04 0.00 0.00 57.85 58.28 2hgq n ARG 51 Cb 0.36 -2.10 0.00 0.00 -3.04 0.00 0.00 32.46 27.68 2hgq n ARG 51 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2hgq n VAL 52 N -5.41 0.00 -0.15 8.89 0.31 0.14 -0.93 118.33 121.19 2hgq n VAL 52 Ca 0.12 1.40 -0.04 0.00 -0.01 0.00 0.00 64.34 65.81 2hgq n VAL 52 Cb 0.41 -2.32 -0.03 0.00 -0.91 0.00 0.00 33.84 30.98 2hgq n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgq n ALA 53 N -1.84 -0.22 -0.11 3.52 0.00 0.10 0.24 120.51 122.20 2hgq n ALA 53 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2hgq n ALA 53 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2hgq n ALA 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2hgq n MET 54 N -4.33 0.00 -0.29 0.00 2.81 -0.12 -1.02 117.12 114.16 2hgq n MET 54 Ca 0.01 0.56 -0.00 0.00 -1.81 0.00 0.00 57.70 56.46 2hgq n MET 54 Cb 0.09 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.19 2hgq n MET 54 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2hgq n VAL 55 N -2.06 -0.39 0.28 2.03 0.31 0.14 0.55 118.33 119.19 2hgq n VAL 55 Ca 0.00 1.79 -0.16 0.00 -0.01 0.00 0.00 64.34 65.97 2hgq n VAL 55 Cb 0.00 -2.38 -0.08 0.00 -0.91 0.00 0.00 33.84 30.46 2hgq n VAL 55 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2hgq h ARG 56 N 0.00 -0.68 -0.48 5.55 -0.00 -0.73 -3.07 114.38 114.98 2hgq h ARG 56 Ca 0.28 0.05 0.09 0.00 -0.00 0.00 0.00 59.98 60.39 2hgq h ARG 56 Cb 0.47 0.15 -0.10 0.00 -0.00 0.00 0.00 29.97 30.49 2hgq h ARG 56 CO -0.77 -0.40 -0.35 1.25 -0.00 0.00 0.00 179.97 179.71 2hgq h HIS 57 N -0.82 -0.97 0.00 4.08 2.76 0.18 -2.68 115.15 117.71 2hgq h HIS 57 Ca -0.07 0.07 -0.41 0.00 -2.20 0.00 0.00 60.37 57.76 2hgq h HIS 57 Cb 0.59 0.49 0.10 0.00 1.55 0.00 0.00 27.41 30.15 2hgq h HIS 57 CO -0.02 -0.39 1.14 1.19 -1.30 0.00 0.00 177.93 178.56 2hgq n PHE 58 N -5.42 0.00 -0.37 5.26 3.72 -0.31 -4.09 117.46 116.25 2hgq n PHE 58 Ca 0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2hgq n PHE 58 Cb 0.35 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2hgq n PHE 58 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2hgq n ARG 59 N 6.74 -1.08 -3.45 -1.08 -4.01 -1.23 -1.96 116.66 110.59 2hgq n ARG 59 Ca 0.32 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.95 2hgq n ARG 59 Cb 0.33 -2.37 0.09 0.00 -3.04 0.00 0.00 32.46 27.47 2hgq n ARG 59 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2hgq n ARG 60 N -0.37 -6.83 0.00 2.89 3.00 -1.01 -4.94 116.66 109.40 2hgq n ARG 60 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.85 58.67 2hgq n ARG 60 Cb 0.00 -5.81 0.00 0.00 0.00 0.00 0.00 32.46 26.65 2hgq n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgq n GLY 61 N -1.34 -0.98 3.27 -0.13 0.00 -0.83 -4.99 105.19 100.20 2hgq n GLY 61 Ca -0.21 0.44 -0.48 0.00 0.00 0.00 0.00 46.02 45.76 2hgq n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 62 N -0.16 -0.32 3.33 -0.02 0.00 -1.26 -4.80 105.19 101.96 2hgq n GLY 62 Ca 0.00 1.10 -0.42 0.00 0.00 0.00 0.00 46.02 46.70 2hgq n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgq n LYS 63 N 7.76 0.09 -1.57 1.61 0.00 -1.26 -4.10 118.16 120.69 2hgq n LYS 63 Ca 0.59 0.03 -0.05 0.00 0.00 0.00 0.00 58.31 58.88 2hgq n LYS 63 Cb -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 35.03 33.95 2hgq n LYS 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2hgq n ILE 64 N -0.98 0.00 0.00 3.15 -5.35 -1.24 -0.92 119.36 114.01 2hgq n ILE 64 Ca 0.11 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2hgq n ILE 64 Cb 0.40 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 2hgq n ILE 64 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2hgq n PHE 65 N -1.33 0.00 -0.88 4.28 0.99 -1.24 -4.57 117.46 114.71 2hgq n PHE 65 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 2hgq n PHE 65 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 2hgq n PHE 65 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2hgq n ILE 66 N 0.00 0.00 0.00 4.37 -0.00 -0.11 -4.98 119.36 118.64 2hgq n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2hgq n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2hgq n ILE 66 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2hgq n ARG 67 N 0.00 0.00 -0.03 0.38 1.85 -1.26 -1.20 116.66 116.40 2hgq n ARG 67 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2hgq n ARG 67 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2hgq n ARG 67 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2hgq n ILE 68 N 0.00 0.00 -4.15 8.89 0.13 -1.26 -4.96 119.36 118.01 2hgq n ILE 68 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 2hgq n ILE 68 Cb 0.00 -0.04 -0.10 0.00 -0.84 0.00 0.00 39.64 38.66 2hgq n ILE 68 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 2hgq s PHE 69 N -0.75 0.87 -1.93 9.51 2.19 -1.26 -5.02 117.98 121.59 2hgq s PHE 69 Ca 0.03 -1.24 0.00 0.00 0.33 0.00 0.00 56.93 56.05 2hgq s PHE 69 Cb -0.01 -0.48 0.00 0.00 -1.31 0.00 0.00 43.02 41.23 2hgq s PHE 69 CO 0.03 -0.53 0.40 -2.30 1.83 0.00 0.00 175.22 174.65 2hgq n PRO 70 N -0.11 0.42 0.00 10.12 -0.02 -1.22 -2.37 135.00 141.83 2hgq n PRO 70 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2hgq n PRO 70 Cb 0.64 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2hgq n PRO 70 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2hgq n ASP 71 N -0.45 0.00 -4.84 2.55 8.00 -0.69 -0.32 116.55 120.81 2hgq n ASP 71 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2hgq n ASP 71 Cb 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2hgq n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2hgq s LYS 72 N 0.00 2.41 -0.34 -1.24 1.02 -0.02 -4.84 119.74 116.73 2hgq s LYS 72 Ca 0.00 -1.67 -0.05 0.00 0.02 0.00 0.00 55.97 54.27 2hgq s LYS 72 Cb 0.00 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 2hgq s LYS 72 CO 0.00 -0.20 0.10 -1.25 -0.92 0.00 0.00 175.35 173.08 2hgq s PRO 73 N -4.07 2.49 -0.04 -1.68 0.05 -1.26 -1.03 135.00 129.46 2hgq s PRO 73 Ca 0.45 -1.30 -0.17 0.00 0.05 0.00 0.00 61.00 60.03 2hgq s PRO 73 Cb -0.01 -3.42 -0.05 0.00 0.05 0.00 0.00 34.50 31.07 2hgq s PRO 73 CO 0.26 -0.72 0.46 0.71 0.05 0.00 0.00 177.00 177.76 2hgq s TYR 74 N 1.33 3.65 -0.07 0.56 4.12 0.30 -4.34 117.35 122.90 2hgq s TYR 74 Ca -0.01 0.99 0.01 0.00 0.02 0.00 0.00 57.07 58.08 2hgq s TYR 74 Cb -0.20 -2.44 0.02 0.00 -1.52 0.00 0.00 41.96 37.82 2hgq s TYR 74 CO 0.01 0.42 -0.08 0.99 0.02 0.00 0.00 175.55 176.91 2hgq s THR 75 N -0.33 0.87 -1.81 -0.71 2.01 -1.26 -1.39 115.64 113.02 2hgq s THR 75 Ca 0.25 -0.28 0.21 0.00 0.31 0.00 0.00 61.69 62.18 2hgq s THR 75 Cb -0.16 -0.86 0.60 0.00 0.01 0.00 0.00 72.50 72.09 2hgq s THR 75 CO 0.13 0.31 1.50 2.29 -0.69 0.00 0.00 174.62 178.16 2hgq n LYS 76 N 4.25 2.77 0.00 4.92 -0.00 -1.26 -5.02 118.16 123.82 2hgq n LYS 76 Ca -0.20 -2.59 0.00 0.00 -0.00 0.00 0.00 58.31 55.52 2hgq n LYS 76 Cb 0.51 -1.54 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 2hgq n LYS 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hgq n LYS 77 N 1.49 0.00 0.00 -1.58 4.01 -1.26 -4.45 118.16 116.36 2hgq n LYS 77 Ca 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 2hgq n LYS 77 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 2hgq n LYS 77 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hgq n PRO 78 N 12.74 0.00 0.00 1.97 -0.02 -1.26 -4.85 135.00 143.58 2hgq n PRO 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgq n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2hgq n PRO 78 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgq n LEU 79 N 0.00 0.00 0.00 2.45 4.77 -1.26 -4.93 117.00 118.02 2hgq n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hgq n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hgq n LEU 79 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.22 2hgq n GLU 80 N 0.00 0.00 0.00 3.23 -0.00 -1.26 -5.16 120.64 117.45 2hgq n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2hgq n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2hgq n GLU 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hgq n VAL 81 N 0.00 0.00 -4.19 3.84 0.31 -1.26 -5.01 118.33 112.02 2hgq n VAL 81 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2hgq n VAL 81 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2hgq n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2hgq s ARG 82 N 0.00 0.88 -0.15 5.55 3.52 -1.26 -5.15 118.95 122.34 2hgq s ARG 82 Ca 0.00 -1.21 -0.12 0.00 -0.13 0.00 0.00 55.73 54.28 2hgq s ARG 82 Cb 0.00 -0.54 -0.05 0.00 -1.56 0.00 0.00 34.95 32.80 2hgq s ARG 82 CO 0.00 0.08 0.23 0.00 -0.81 0.00 0.00 175.30 174.80 2hgq s MET 83 N -2.96 4.07 0.00 5.12 0.23 -1.26 -4.75 119.30 119.74 2hgq s MET 83 Ca 0.07 -0.00 0.00 0.00 -1.03 0.00 0.00 55.69 54.73 2hgq s MET 83 Cb -0.02 -3.36 0.00 0.00 -1.53 0.00 0.00 34.83 29.92 2hgq s MET 83 CO -0.00 0.39 0.00 0.41 -2.03 0.00 0.00 175.02 173.79 2hgq n GLY 84 N 3.04 0.00 3.62 3.16 0.00 -1.26 -5.16 105.19 108.58 2hgq n GLY 84 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2hgq n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgq s LYS 85 N 0.00 0.24 0.00 1.61 2.47 -1.26 -4.70 119.74 118.10 2hgq s LYS 85 Ca 0.00 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.32 2hgq s LYS 85 Cb 0.00 -1.68 0.00 0.00 -1.46 0.00 0.00 37.83 34.69 2hgq s LYS 85 CO 0.00 -2.96 0.13 0.41 0.16 0.00 0.00 175.35 173.09 2hgq n GLY 86 N -0.15 -0.00 2.60 5.54 0.00 -1.26 -4.50 105.19 107.41 2hgq n GLY 86 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2hgq n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgq n LYS 87 N -0.14 -1.17 0.00 1.61 4.81 -1.26 -4.94 118.16 117.06 2hgq n LYS 87 Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2hgq n LYS 87 Cb 0.02 -4.18 0.00 0.00 0.02 0.00 0.00 35.03 30.89 2hgq n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgq n GLY 88 N -0.64 -2.27 1.21 3.14 0.00 -1.26 -4.78 105.19 100.58 2hgq n GLY 88 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2hgq n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgq n ASN 89 N 0.00 -6.11 -4.75 1.61 5.03 -1.26 -4.34 115.26 105.44 2hgq n ASN 89 Ca 0.00 0.77 -0.29 0.00 0.87 0.00 0.00 54.58 55.93 2hgq n ASN 89 Cb 0.00 -2.83 -0.07 0.00 -1.02 0.00 0.00 39.78 35.87 2hgq n ASN 89 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2hgq s VAL 90 N -1.00 4.35 0.11 2.41 -7.23 -1.26 -4.59 120.40 113.20 2hgq s VAL 90 Ca 0.00 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2hgq s VAL 90 Cb 0.00 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2hgq s VAL 90 CO 0.00 0.04 0.00 -1.84 -0.31 0.00 0.00 175.10 172.99 2hgq n GLU 91 N 0.22 0.00 -4.36 4.82 0.00 -1.10 -4.98 120.64 115.24 2hgq n GLU 91 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.76 2hgq n GLU 91 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.80 2hgq n GLU 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2hgq s GLY 92 N -2.00 1.22 -0.11 -1.84 0.00 -0.49 -4.97 107.32 99.14 2hgq s GLY 92 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 2hgq s GLY 92 CO 0.00 0.23 -0.09 -0.19 0.00 0.00 0.00 173.10 173.05 2hgq s TYR 93 N 1.10 2.89 0.01 1.90 1.51 -1.26 -0.54 117.35 122.97 2hgq s TYR 93 Ca -0.02 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 2hgq s TYR 93 Cb -0.14 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2hgq s TYR 93 CO -0.06 0.04 0.02 1.33 -1.11 0.00 0.00 175.55 175.78 2hgq n VAL 94 N 3.00 0.00 -2.24 0.71 0.24 0.56 -1.08 118.33 119.53 2hgq n VAL 94 Ca -0.18 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 2hgq n VAL 94 Cb 0.53 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.90 2hgq n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgq s ALA 95 N -1.03 3.04 -0.43 2.33 0.00 -0.18 -0.84 121.76 124.65 2hgq s ALA 95 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.13 2hgq s ALA 95 Cb -0.00 -3.12 0.16 0.00 0.00 0.00 0.00 23.12 20.16 2hgq s ALA 95 CO 0.00 -0.40 0.33 0.08 0.00 0.00 0.00 175.76 175.77 2hgq s VAL 96 N -2.74 0.63 -0.07 0.00 1.01 -1.26 -0.41 120.40 117.56 2hgq s VAL 96 Ca 0.58 -2.66 0.03 0.00 0.00 0.00 0.00 61.98 59.93 2hgq s VAL 96 Cb -0.11 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2hgq s VAL 96 CO 0.37 -1.15 -0.16 0.68 0.00 0.00 0.00 175.10 174.84 2hgq s VAL 97 N 0.08 1.40 0.00 2.92 -7.23 0.07 -4.94 120.40 112.71 2hgq s VAL 97 Ca 0.29 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2hgq s VAL 97 Cb -0.03 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.67 2hgq s VAL 97 CO -0.15 0.41 0.00 0.29 -0.31 0.00 0.00 175.10 175.34 2hgq n LYS 98 N 3.60 0.00 -3.31 4.82 4.01 -1.26 -0.78 118.16 125.24 2hgq n LYS 98 Ca -0.21 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.15 2hgq n LYS 98 Cb 0.52 -0.74 -0.07 0.00 -0.51 0.00 0.00 35.03 34.23 2hgq n LYS 98 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2hgq s PRO 99 N -1.54 3.02 0.00 1.97 0.04 -1.26 -3.31 135.00 133.93 2hgq s PRO 99 Ca 0.00 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 59.83 2hgq s PRO 99 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2hgq s PRO 99 CO 0.00 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2hgq n GLY 100 N 5.19 0.00 3.87 0.56 0.00 0.09 -4.76 105.19 110.14 2hgq n GLY 100 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2hgq n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 101 N 0.00 3.25 -0.76 1.61 1.81 -1.19 -4.66 118.95 119.01 2hgq s ARG 101 Ca 0.00 -0.52 -0.26 0.00 -1.72 0.00 0.00 55.73 53.23 2hgq s ARG 101 Cb 0.00 -2.93 -0.08 0.00 -0.45 0.00 0.00 34.95 31.49 2hgq s ARG 101 CO 0.00 0.60 2.16 0.54 -0.68 0.00 0.00 175.30 177.91 2hgq s VAL 102 N -1.46 3.22 -0.26 3.52 0.11 -1.24 -1.03 120.40 123.25 2hgq s VAL 102 Ca 0.33 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2hgq s VAL 102 Cb -0.13 -3.52 -0.03 0.00 -1.53 0.00 0.00 36.38 31.17 2hgq s VAL 102 CO 0.26 -0.49 0.11 -0.04 -3.33 0.00 0.00 175.10 171.60 2hgq s MET 103 N 7.84 3.71 -0.34 1.54 -1.94 -0.11 -4.65 119.30 125.35 2hgq s MET 103 Ca 0.81 -0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 54.29 2hgq s MET 103 Cb -0.11 -3.44 0.05 0.00 2.01 0.00 0.00 34.83 33.34 2hgq s MET 103 CO 0.09 -0.20 0.10 -0.06 -0.01 0.00 0.00 175.02 174.94 2hgq s PHE 104 N 1.66 3.29 -0.12 -0.03 0.40 -0.34 -0.70 117.98 122.13 2hgq s PHE 104 Ca 0.06 -1.63 -0.01 0.00 -0.60 0.00 0.00 56.93 54.75 2hgq s PHE 104 Cb -0.15 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.03 2hgq s PHE 104 CO 0.06 -0.78 -0.04 -1.21 0.70 0.00 0.00 175.22 173.95 2hgq s GLU 105 N 1.34 1.16 0.00 0.44 8.01 -0.26 -0.94 118.70 128.46 2hgq s GLU 105 Ca -0.01 -0.24 0.00 0.00 0.01 0.00 0.00 54.97 54.72 2hgq s GLU 105 Cb -0.20 -1.59 0.00 0.00 -4.31 0.00 0.00 34.13 28.03 2hgq s GLU 105 CO 0.01 -0.36 0.00 1.55 0.01 0.00 0.00 175.26 176.47 2hgq n VAL 106 N 4.99 0.00 0.00 2.63 3.14 -1.26 -4.28 118.33 123.55 2hgq n VAL 106 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2hgq n VAL 106 Cb 0.49 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 2hgq n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgq n ALA 107 N -3.00 0.00 0.00 1.55 0.00 -0.10 -3.71 120.51 115.24 2hgq n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 108 N 0.00 1.15 0.19 0.00 0.00 -1.26 -4.49 105.19 100.78 2hgq n GLY 108 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hgq n GLY 108 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2hgq h VAL 109 N 0.00 1.35 -5.90 1.61 3.04 -1.94 -3.48 116.25 110.94 2hgq h VAL 109 Ca 0.00 -1.92 -0.19 0.00 -1.01 0.00 0.00 66.70 63.58 2hgq h VAL 109 Cb 0.00 1.92 0.01 0.00 -2.01 0.00 0.00 31.29 31.21 2hgq h VAL 109 CO 0.00 0.58 -0.69 0.41 -1.01 0.00 0.00 177.57 176.87 2hgq n THR 110 N -3.91 -7.66 0.00 3.17 -1.04 -1.26 -4.72 114.28 98.87 2hgq n THR 110 Ca -0.03 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2hgq n THR 110 Cb 0.63 -5.47 0.00 0.00 -1.82 0.00 0.00 70.33 63.67 2hgq n THR 110 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hgq n GLU 111 N -0.99 0.00 0.00 -2.82 -0.58 -1.26 -4.71 120.64 110.28 2hgq n GLU 111 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2hgq n GLU 111 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 2hgq n GLU 111 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2hgq n GLU 112 N -1.79 0.00 0.08 3.49 -0.00 -1.26 0.97 120.64 122.13 2hgq n GLU 112 Ca 0.00 0.05 -0.12 0.00 -0.00 0.00 0.00 57.16 57.09 2hgq n GLU 112 Cb 0.00 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 29.86 2hgq n GLU 112 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2hgq h GLN 113 N 0.00 -0.25 -0.35 3.44 4.20 -1.87 0.58 115.11 120.85 2hgq h GLN 113 Ca 0.00 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.80 2hgq h GLN 113 Cb 0.00 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 2hgq h GLN 113 CO 0.00 0.15 -0.21 0.00 -0.67 0.00 0.00 178.83 178.10 2hgq h ALA 114 N -0.23 0.03 -1.50 3.87 0.00 0.32 -0.73 119.26 121.01 2hgq h ALA 114 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hgq h ALA 114 Cb 0.52 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2hgq h ALA 114 CO 0.04 -0.59 0.00 -1.33 0.00 0.00 0.00 179.25 177.37 2hgq n MET 115 N -5.37 0.00 -0.30 0.00 2.81 -0.52 0.44 117.12 114.18 2hgq n MET 115 Ca 0.01 0.45 -0.08 0.00 -1.81 0.00 0.00 57.70 56.27 2hgq n MET 115 Cb 0.29 -0.80 -0.07 0.00 -0.71 0.00 0.00 33.22 31.93 2hgq n MET 115 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2hgq n GLU 116 N -1.37 -0.31 -0.32 0.03 -0.58 0.15 0.21 120.64 118.45 2hgq n GLU 116 Ca 0.00 1.12 -0.08 0.00 -0.42 0.00 0.00 57.16 57.78 2hgq n GLU 116 Cb 0.00 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.16 2hgq n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgq n ALA 117 N -3.39 -0.45 0.46 0.62 0.00 0.17 0.10 120.51 118.02 2hgq n ALA 117 Ca 0.01 0.66 -0.20 0.00 0.00 0.00 0.00 53.44 53.91 2hgq n ALA 117 Cb 0.18 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 2hgq n ALA 117 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2hgq h LEU 118 N 0.00 -1.13 -0.11 0.00 -0.00 0.13 -0.65 115.31 113.55 2hgq h LEU 118 Ca 0.14 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.08 2hgq h LEU 118 Cb 0.33 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 2hgq h LEU 118 CO -0.72 -0.74 -0.06 0.54 -0.00 0.00 0.00 178.44 177.46 2hgq n ARG 119 N -5.62 -0.05 0.16 0.17 1.74 0.28 0.10 116.66 113.44 2hgq n ARG 119 Ca -0.15 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 2hgq n ARG 119 Cb 0.49 -0.35 -0.05 0.00 -1.02 0.00 0.00 32.46 31.53 2hgq n ARG 119 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2hgq h ILE 120 N 0.00 0.29 -0.43 0.55 2.04 -1.08 0.14 117.51 119.02 2hgq h ILE 120 Ca 0.02 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.19 2hgq h ILE 120 Cb 0.04 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 2hgq h ILE 120 CO -0.10 0.07 -0.25 0.00 0.00 0.00 0.00 178.15 177.87 2hgq n ALA 121 N -2.67 -0.27 0.04 1.87 0.00 0.28 -0.67 120.51 119.09 2hgq n ALA 121 Ca -0.08 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2hgq n ALA 121 Cb 0.24 -0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.54 2hgq n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgq h GLY 122 N 0.00 0.36 -0.74 0.00 0.00 -1.13 -0.32 103.07 101.24 2hgq h GLY 122 Ca 0.07 -0.91 0.23 0.00 0.00 0.00 0.00 47.33 46.72 2hgq h GLY 122 CO -0.40 0.80 0.13 1.57 0.00 0.00 0.00 176.54 178.64 2hgq n HIS 123 N -3.83 0.59 0.00 5.60 -0.00 0.04 -0.32 115.22 117.29 2hgq n HIS 123 Ca -0.24 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2hgq n HIS 123 Cb 0.96 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.82 2hgq n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hgq n LYS 124 N -4.93 0.00 0.00 1.57 4.76 0.16 -4.75 118.16 114.97 2hgq n LYS 124 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2hgq n LYS 124 Cb 0.68 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 2hgq n LYS 124 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hgq n LEU 125 N 0.00 0.00 -2.81 -0.35 4.77 0.56 -4.38 117.00 114.80 2hgq n LEU 125 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2hgq n LEU 125 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2hgq n LEU 125 CO 0.00 0.00 0.05 -0.81 -1.33 0.00 0.00 177.39 175.30 2hgq n PRO 126 N 0.00 1.10 -3.81 3.23 -0.04 -1.26 -5.02 135.00 129.20 2hgq n PRO 126 Ca 0.00 -2.79 0.03 0.00 -0.04 0.00 0.00 63.50 60.70 2hgq n PRO 126 Cb 0.00 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 2hgq n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2hgq n ILE 127 N -0.04 0.00 -2.63 0.52 -6.64 -1.26 -4.94 119.36 104.37 2hgq n ILE 127 Ca 0.10 -0.09 -0.43 0.00 -1.77 0.00 0.00 62.75 60.56 2hgq n ILE 127 Cb 0.77 0.49 -0.02 0.00 -1.44 0.00 0.00 39.64 39.44 2hgq n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2hgq s LYS 128 N -2.01 4.28 0.23 6.28 1.02 -1.26 -4.90 119.74 123.38 2hgq s LYS 128 Ca 0.28 1.41 -0.16 0.00 0.02 0.00 0.00 55.97 57.52 2hgq s LYS 128 Cb -0.00 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2hgq s LYS 128 CO -0.01 -0.60 0.53 0.95 -0.92 0.00 0.00 175.35 175.30 2hgq s THR 129 N 3.09 0.01 0.22 2.17 -4.23 -1.26 -1.19 115.64 114.46 2hgq s THR 129 Ca 0.46 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2hgq s THR 129 Cb -0.16 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2hgq s THR 129 CO 0.09 -0.05 0.12 -0.75 -0.54 0.00 0.00 174.62 173.49 2hgq s LYS 130 N -3.95 1.29 0.07 3.99 2.20 -0.32 -4.96 119.74 118.06 2hgq s LYS 130 Ca 0.16 -1.69 -0.08 0.00 -0.36 0.00 0.00 55.97 54.00 2hgq s LYS 130 Cb -0.02 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2hgq s LYS 130 CO 0.05 -0.37 0.16 0.42 -0.36 0.00 0.00 175.35 175.25 2hgq s ILE 131 N -4.00 0.14 0.00 5.43 1.01 -1.26 -0.81 121.20 121.72 2hgq s ILE 131 Ca 0.39 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2hgq s ILE 131 Cb 0.07 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2hgq s ILE 131 CO 0.13 -0.65 0.00 1.33 0.00 0.00 0.00 174.94 175.75 2hgq n VAL 132 N 0.18 0.00 -2.28 2.92 0.24 -0.23 -4.98 118.33 114.18 2hgq n VAL 132 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2hgq n VAL 132 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2hgq n VAL 132 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgq n ARG 133 N 0.00 0.11 -2.83 7.34 0.00 -1.26 -1.16 116.66 118.86 2hgq n ARG 133 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2hgq n ARG 133 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 32.46 32.42 2hgq n ARG 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2hgq s ARG 134 N 1.72 3.84 0.00 2.89 6.06 -1.26 -4.91 118.95 127.28 2hgq s ARG 134 Ca 0.00 0.55 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 2hgq s ARG 134 Cb 0.00 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.21 2hgq s ARG 134 CO 0.00 -0.92 0.49 -0.40 -2.50 0.00 0.00 175.30 171.96 2hgq n ASP 135 N 6.70 0.97 -2.49 -2.12 5.75 -1.26 -4.89 116.55 119.21 2hgq n ASP 135 Ca 0.06 -0.99 -0.03 0.00 -0.01 0.00 0.00 54.79 53.83 2hgq n ASP 135 Cb 0.48 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 2hgq n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgq n ALA 136 N -0.02 -2.56 0.00 2.12 0.00 -1.26 -5.14 120.51 113.64 2hgq n ALA 136 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2hgq n ALA 136 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2hgq n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgq n TYR 137 N -0.44 0.00 0.00 0.00 4.02 -1.26 -4.93 117.16 114.54 2hgq n TYR 137 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2hgq n TYR 137 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 2hgq n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2hgq n ASP 138 N 0.03 0.00 -4.41 7.72 8.00 -1.26 -4.88 116.55 121.75 2hgq n ASP 138 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2hgq n ASP 138 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2hgq n ASP 138 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2hgq s GLU 139 N -2.88 3.54 0.30 -1.24 -6.30 -1.26 -5.12 118.70 105.75 2hgq s GLU 139 Ca 0.00 -0.56 0.02 0.00 -2.50 0.00 0.00 54.97 51.93 2hgq s GLU 139 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 34.13 31.16 2hgq s GLU 139 CO 0.00 0.02 0.16 0.00 0.02 0.00 0.00 175.26 175.46 2hgq n ALA 140 N 4.18 0.40 1.95 6.30 0.00 -1.26 -5.32 120.51 126.76 2hgq n ALA 140 Ca -0.18 -1.26 0.16 0.00 0.00 0.00 0.00 53.44 52.17 2hgq n ALA 140 Cb 0.52 0.57 0.91 0.00 0.00 0.00 0.00 19.45 21.45 2hgq n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50