#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmx s MET 2 N 0.00 0.22 0.00 -0.41 1.00 -1.26 -5.15 119.30 113.70 2hmx s MET 2 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 55.69 55.93 2hmx s MET 2 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 34.83 34.94 2hmx s MET 2 CO 0.00 -0.03 0.00 0.41 0.00 0.00 0.00 175.02 175.40 2hmx n GLY 3 N 1.69 0.18 5.00 -0.03 0.00 -1.26 -5.03 105.19 105.74 2hmx n GLY 3 Ca -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2hmx n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hmx n ALA 4 N -1.00 0.00 -2.74 4.61 0.00 -1.26 -4.82 120.51 115.30 2hmx n ALA 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2hmx n ALA 4 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2hmx n ALA 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2hmx s ARG 5 N 0.00 3.61 0.00 0.00 3.03 -1.26 -4.83 118.95 119.50 2hmx s ARG 5 Ca 0.00 -0.02 0.00 0.00 2.03 0.00 0.00 55.73 57.74 2hmx s ARG 5 Cb 0.00 -3.10 0.00 0.00 -1.03 0.00 0.00 34.95 30.82 2hmx s ARG 5 CO 0.00 0.66 0.00 0.00 -1.13 0.00 0.00 175.30 174.83 2hmx n ALA 6 N 1.27 0.00 -0.76 7.88 0.00 -1.26 -4.88 120.51 122.76 2hmx n ALA 6 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2hmx n ALA 6 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2hmx n ALA 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hmx n SER 7 N -1.84 0.00 -0.09 0.00 2.88 -1.26 0.10 113.62 113.41 2hmx n SER 7 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2hmx n SER 7 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2hmx n SER 7 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2hmx n VAL 8 N 0.00 1.50 -1.12 2.46 0.31 -1.26 -4.97 118.33 115.25 2hmx n VAL 8 Ca 0.00 0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 2hmx n VAL 8 Cb 0.00 -2.31 0.08 0.00 -0.91 0.00 0.00 33.84 30.70 2hmx n VAL 8 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2hmx n LEU 9 N -4.45 0.00 0.00 7.52 4.77 0.29 -4.85 117.00 120.27 2hmx n LEU 9 Ca -0.17 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.26 2hmx n LEU 9 Cb 0.53 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2hmx n LEU 9 CO 0.19 -1.06 -0.04 -1.54 -1.33 0.00 0.00 177.39 173.62 2hmx n SER 10 N -3.45 1.89 0.27 -1.43 3.41 -1.26 -4.62 113.62 108.44 2hmx n SER 10 Ca 0.06 -1.36 -0.16 0.00 -0.26 0.00 0.00 58.87 57.15 2hmx n SER 10 Cb 0.22 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 2hmx n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2hmx h GLY 11 N 0.21 -0.68 1.26 5.00 0.00 -1.95 0.58 103.07 107.49 2hmx h GLY 11 Ca -0.06 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 2hmx h GLY 11 CO 0.10 -0.25 -0.40 -1.33 0.00 0.00 0.00 176.54 174.67 2hmx h GLY 12 N -0.73 0.88 1.73 4.60 0.00 -1.97 -2.51 103.07 105.07 2hmx h GLY 12 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.36 2hmx h GLY 12 CO 0.11 0.81 -0.23 0.83 0.00 0.00 0.00 176.54 178.07 2hmx h GLU 13 N 0.66 0.00 0.12 4.80 5.08 -1.72 0.26 114.58 123.79 2hmx h GLU 13 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2hmx h GLU 13 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2hmx h GLU 13 CO 0.09 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.29 2hmx h LEU 14 N 0.00 -0.14 -0.43 1.33 7.12 0.20 -1.58 115.31 121.80 2hmx h LEU 14 Ca 0.00 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2hmx h LEU 14 Cb 0.85 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.01 2hmx h LEU 14 CO 0.00 0.46 0.00 0.47 -0.13 0.00 0.00 178.44 179.24 2hmx n ASP 15 N -4.86 0.18 0.01 1.25 8.00 -0.95 0.95 116.55 121.13 2hmx n ASP 15 Ca -0.06 0.58 -0.01 0.00 0.71 0.00 0.00 54.79 56.01 2hmx n ASP 15 Cb 0.24 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 2hmx n ASP 15 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hmx n LYS 16 N -1.74 0.63 0.02 -1.24 4.01 0.90 -3.86 118.16 116.89 2hmx n LYS 16 Ca -0.00 0.17 0.13 0.00 -0.51 0.00 0.00 58.31 58.09 2hmx n LYS 16 Cb 0.03 -1.75 0.33 0.00 -0.51 0.00 0.00 35.03 33.13 2hmx n LYS 16 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 2hmx n TRP 17 N -2.83 0.18 0.27 2.13 -0.00 0.27 -4.30 117.44 113.16 2hmx n TRP 17 Ca -0.12 0.05 0.10 0.00 -0.00 0.00 0.00 57.50 57.53 2hmx n TRP 17 Cb 0.87 -0.44 0.72 0.00 -0.00 0.00 0.00 31.31 32.45 2hmx n TRP 17 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2hmx h GLU 18 N 0.00 0.00 -0.73 5.87 4.57 0.03 -3.03 114.58 121.29 2hmx h GLU 18 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2hmx h GLU 18 Cb 0.57 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 28.92 2hmx h GLU 18 CO 0.00 0.03 -0.72 1.17 -1.18 0.00 0.00 179.01 178.32 2hmx n LYS 19 N -4.23 0.95 -1.87 1.92 4.81 -1.14 -4.58 118.16 114.02 2hmx n LYS 19 Ca -0.03 -2.42 -0.29 0.00 -0.87 0.00 0.00 58.31 54.70 2hmx n LYS 19 Cb 0.12 -1.30 0.12 0.00 0.02 0.00 0.00 35.03 33.98 2hmx n LYS 19 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hmx s ILE 20 N -0.56 2.00 -0.11 3.15 1.01 -0.91 -4.83 121.20 120.93 2hmx s ILE 20 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2hmx s ILE 20 Cb 0.29 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.80 2hmx s ILE 20 CO -0.09 0.00 -0.16 -0.13 0.00 0.00 0.00 174.94 174.56 2hmx s ARG 21 N -5.62 2.33 0.00 2.79 1.81 0.20 0.61 118.95 121.07 2hmx s ARG 21 Ca 0.65 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.06 2hmx s ARG 21 Cb -0.10 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 2hmx s ARG 21 CO 0.50 -0.06 0.00 1.47 -0.68 0.00 0.00 175.30 176.53 2hmx n LEU 22 N 4.20 0.00 -2.66 2.53 -0.00 0.42 0.59 117.00 122.08 2hmx n LEU 22 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.78 2hmx n LEU 22 Cb 0.51 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.03 2hmx n LEU 22 CO 0.24 -0.07 0.66 -2.11 -0.00 0.00 0.00 177.39 176.12 2hmx n ARG 23 N -0.13 0.15 0.26 1.47 1.85 -1.26 -2.12 116.66 116.88 2hmx n ARG 23 Ca 0.00 -0.72 0.08 0.00 -1.00 0.00 0.00 57.85 56.21 2hmx n ARG 23 Cb 0.00 -0.21 0.45 0.00 -1.05 0.00 0.00 32.46 31.65 2hmx n ARG 23 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2hmx h PRO 24 N 2.64 0.00 0.00 2.89 0.11 -1.94 -2.36 132.00 133.34 2hmx h PRO 24 Ca -0.28 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 2hmx h PRO 24 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 2hmx h PRO 24 CO -0.09 0.00 -0.26 0.41 -0.21 0.00 0.00 178.00 177.85 2hmx n GLY 25 N -1.29 0.64 0.00 -0.55 0.00 -1.26 -5.11 105.19 97.63 2hmx n GLY 25 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2hmx n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hmx n GLY 26 N -0.24 2.02 2.78 -0.02 0.00 -0.89 -5.05 105.19 103.79 2hmx n GLY 26 Ca -0.24 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 2hmx n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hmx n LYS 27 N 1.18 -2.44 -3.97 1.61 4.01 -1.26 -4.93 118.16 112.35 2hmx n LYS 27 Ca 0.00 2.15 -0.09 0.00 -0.51 0.00 0.00 58.31 59.86 2hmx n LYS 27 Cb 0.00 -5.49 -0.11 0.00 -0.51 0.00 0.00 35.03 28.92 2hmx n LYS 27 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hmx s LYS 28 N -2.42 0.41 -0.12 1.97 1.02 -0.90 -4.94 119.74 114.76 2hmx s LYS 28 Ca 0.21 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2hmx s LYS 28 Cb -0.06 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2hmx s LYS 28 CO 0.74 -0.08 -0.23 -0.65 -0.92 0.00 0.00 175.35 174.22 2hmx s GLN 29 N -1.91 3.05 0.32 1.68 1.11 -1.26 -0.43 119.66 122.21 2hmx s GLN 29 Ca -0.12 -0.86 -0.29 0.00 0.01 0.00 0.00 55.36 54.10 2hmx s GLN 29 Cb -0.06 -2.38 -0.12 0.00 -1.01 0.00 0.00 33.01 29.45 2hmx s GLN 29 CO -0.02 0.09 1.53 0.66 0.01 0.00 0.00 175.29 177.56 2hmx n TYR 30 N 3.78 2.83 -4.30 0.91 4.02 0.20 -4.83 117.16 119.77 2hmx n TYR 30 Ca -0.19 0.34 -0.19 0.00 -0.01 0.00 0.00 57.90 57.85 2hmx n TYR 30 Cb 0.52 -2.56 -0.09 0.00 -0.02 0.00 0.00 39.34 37.20 2hmx n TYR 30 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2hmx s LYS 31 N -1.11 1.67 0.00 -0.72 -2.85 -1.26 -2.15 119.74 113.32 2hmx s LYS 31 Ca 0.60 -1.96 0.08 0.00 -1.00 0.00 0.00 55.97 53.69 2hmx s LYS 31 Cb -0.50 0.19 0.37 0.00 -2.06 0.00 0.00 37.83 35.83 2hmx s LYS 31 CO 0.54 -0.57 1.15 -0.11 0.10 0.00 0.00 175.35 176.46 2hmx n LEU 32 N -0.59 0.00 0.04 2.77 7.94 -1.26 -0.51 117.00 125.39 2hmx n LEU 32 Ca 0.05 0.35 -0.12 0.00 -1.11 0.00 0.00 56.01 55.18 2hmx n LEU 32 Cb 0.63 -0.35 -0.09 0.00 0.53 0.00 0.00 43.42 44.15 2hmx n LEU 32 CO 0.33 -0.26 0.51 0.50 -1.11 0.00 0.00 177.39 177.35 2hmx h LYS 33 N 0.00 -0.15 0.00 1.96 3.64 -1.98 -0.00 116.57 120.04 2hmx h LYS 33 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2hmx h LYS 33 Cb 0.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2hmx h LYS 33 CO 0.00 0.32 0.00 0.72 -2.27 0.00 0.00 179.45 178.22 2hmx n HIS 34 N -4.91 0.00 0.04 1.91 -0.00 0.33 0.59 115.22 113.18 2hmx n HIS 34 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.62 2hmx n HIS 34 Cb 0.27 -0.47 -0.01 0.00 -0.00 0.00 0.00 29.99 29.79 2hmx n HIS 34 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2hmx h ILE 35 N 0.00 0.00 -0.16 1.59 1.08 -1.36 0.18 117.51 118.84 2hmx h ILE 35 Ca 0.00 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2hmx h ILE 35 Cb 0.40 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 2hmx h ILE 35 CO 0.00 0.00 0.08 0.58 -0.69 0.00 0.00 178.15 178.12 2hmx h VAL 36 N -0.10 1.06 0.46 1.67 2.07 -0.09 0.94 116.25 122.25 2hmx h VAL 36 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2hmx h VAL 36 Cb 0.07 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2hmx h VAL 36 CO 0.02 0.06 -0.23 -0.25 0.02 0.00 0.00 177.57 177.19 2hmx h TRP 37 N 0.22 -0.60 0.05 1.57 7.01 0.03 -1.33 115.95 122.91 2hmx h TRP 37 Ca 0.06 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2hmx h TRP 37 Cb 0.02 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2hmx h TRP 37 CO 0.00 -0.37 -0.03 0.00 -2.79 0.00 0.00 178.44 175.25 2hmx h ALA 38 N -0.09 -0.96 0.00 2.65 0.00 0.27 -0.66 119.26 120.48 2hmx h ALA 38 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hmx h ALA 38 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2hmx h ALA 38 CO 0.09 -0.95 0.04 1.03 0.00 0.00 0.00 179.25 179.46 2hmx h SER 39 N -0.08 0.00 0.35 0.00 0.87 0.07 0.10 113.55 114.86 2hmx h SER 39 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2hmx h SER 39 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2hmx h SER 39 CO 0.01 0.00 -0.17 0.03 -0.53 0.00 0.00 176.83 176.18 2hmx h ARG 40 N 0.00 -0.45 0.00 2.24 3.08 -1.24 -2.44 114.38 115.57 2hmx h ARG 40 Ca 0.00 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2hmx h ARG 40 Cb 0.07 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2hmx h ARG 40 CO 0.00 -0.30 -0.01 1.49 -1.07 0.00 0.00 179.97 180.08 2hmx h GLU 41 N -0.86 0.00 0.00 0.04 4.22 0.55 -0.21 114.58 118.32 2hmx h GLU 41 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2hmx h GLU 41 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2hmx h GLU 41 CO 0.08 0.01 0.00 -0.11 -2.18 0.00 0.00 179.01 176.81 2hmx n LEU 42 N -4.32 0.04 0.31 1.64 7.94 0.18 0.19 117.00 122.98 2hmx n LEU 42 Ca -0.03 0.88 0.20 0.00 -1.11 0.00 0.00 56.01 55.95 2hmx n LEU 42 Cb 0.09 -0.45 1.06 0.00 0.53 0.00 0.00 43.42 44.65 2hmx n LEU 42 CO 0.32 -0.45 1.12 -0.08 -1.11 0.00 0.00 177.39 177.19 2hmx h GLU 43 N 0.00 0.00 -0.00 1.96 4.22 -0.88 -0.09 114.58 119.78 2hmx h GLU 43 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2hmx h GLU 43 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hmx h GLU 43 CO 0.00 0.00 -0.66 -2.13 -2.18 0.00 0.00 179.01 174.04 2hmx n ARG 44 N -2.90 1.83 0.48 1.92 0.00 -0.15 -1.17 116.66 116.67 2hmx n ARG 44 Ca -0.03 -0.15 -0.19 0.00 -0.00 0.00 0.00 57.85 57.49 2hmx n ARG 44 Cb 0.11 -1.24 -0.09 0.00 0.00 0.00 0.00 32.46 31.24 2hmx n ARG 44 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2hmx h PHE 45 N 0.33 -1.13 0.00 -0.14 0.04 0.16 -3.45 116.94 112.75 2hmx h PHE 45 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2hmx h PHE 45 Cb 0.40 0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2hmx h PHE 45 CO 0.00 -0.70 0.00 0.00 -0.60 0.00 0.00 178.31 177.01 2hmx n ALA 46 N -2.64 0.33 -2.49 2.45 0.00 -0.87 -5.09 120.51 112.21 2hmx n ALA 46 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2hmx n ALA 46 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 2hmx n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hmx s VAL 47 N 0.00 1.73 -0.08 0.00 1.01 -0.31 -5.00 120.40 117.74 2hmx s VAL 47 Ca 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.91 2hmx s VAL 47 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2hmx s VAL 47 CO 0.00 -0.16 -0.12 0.21 0.00 0.00 0.00 175.10 175.03 2hmx s ASN 48 N -3.54 4.18 -0.00 3.32 3.84 -1.26 -4.39 114.94 117.10 2hmx s ASN 48 Ca 0.33 -0.19 -0.24 0.00 0.21 0.00 0.00 52.86 52.97 2hmx s ASN 48 Cb 0.06 -1.13 -0.17 0.00 -0.55 0.00 0.00 41.25 39.46 2hmx s ASN 48 CO 0.15 0.30 1.18 1.55 -2.79 0.00 0.00 177.10 177.49 2hmx h PRO 49 N 5.70 -0.34 0.00 0.43 0.13 -1.91 -2.16 132.00 133.86 2hmx h PRO 49 Ca -0.41 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2hmx h PRO 49 Cb 1.17 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2hmx h PRO 49 CO 0.53 0.01 -0.09 0.78 -0.23 0.00 0.00 178.00 178.99 2hmx h GLY 50 N -0.75 0.00 1.02 1.56 0.00 -1.97 0.96 103.07 103.89 2hmx h GLY 50 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2hmx h GLY 50 CO 0.06 0.00 0.65 -2.00 0.00 0.00 0.00 176.54 175.25 2hmx h LEU 51 N 0.00 1.15 0.00 3.11 6.46 -1.90 -1.35 115.31 122.78 2hmx h LEU 51 Ca -0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2hmx h LEU 51 Cb 0.21 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2hmx h LEU 51 CO 0.01 0.84 -0.98 0.25 -0.62 0.00 0.00 178.44 177.95 2hmx h LEU 52 N 1.35 0.00 -1.64 2.25 7.12 0.13 -2.76 115.31 121.76 2hmx h LEU 52 Ca 0.36 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.34 2hmx h LEU 52 Cb -0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2hmx h LEU 52 CO -0.08 0.01 0.07 -0.08 -0.13 0.00 0.00 178.44 178.24 2hmx h GLU 53 N 0.00 0.31 -7.42 1.25 4.22 0.13 -3.33 114.58 109.73 2hmx h GLU 53 Ca 0.00 -0.03 -0.50 0.00 0.08 0.00 0.00 59.36 58.91 2hmx h GLU 53 Cb 0.98 -0.06 0.07 0.00 0.50 0.00 0.00 28.75 30.24 2hmx h GLU 53 CO 0.00 0.27 0.41 0.95 -2.18 0.00 0.00 179.01 178.47 2hmx s THR 54 N -5.14 4.04 0.19 0.32 -4.23 -0.90 -4.89 115.64 105.04 2hmx s THR 54 Ca -0.07 0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 2hmx s THR 54 Cb 0.17 -3.64 0.11 0.00 1.34 0.00 0.00 72.50 70.47 2hmx s THR 54 CO 0.72 -0.87 1.81 0.77 -0.54 0.00 0.00 174.62 176.51 2hmx h SER 55 N -0.51 0.51 -0.63 3.99 4.64 -1.83 -2.35 113.55 117.37 2hmx h SER 55 Ca -0.45 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2hmx h SER 55 Cb 1.22 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 2hmx h SER 55 CO 0.63 0.34 0.33 -0.08 -0.87 0.00 0.00 176.83 177.18 2hmx h GLU 56 N 0.64 0.88 0.03 4.77 4.81 -1.90 0.63 114.58 124.44 2hmx h GLU 56 Ca 0.25 -0.11 -0.25 0.00 -0.13 0.00 0.00 59.36 59.12 2hmx h GLU 56 Cb 0.11 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.34 2hmx h GLU 56 CO -0.15 0.68 -1.04 0.78 -0.73 0.00 0.00 179.01 178.55 2hmx h GLY 57 N 0.85 0.59 1.96 1.92 0.00 -1.51 0.21 103.07 107.09 2hmx h GLY 57 Ca 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2hmx h GLY 57 CO -0.03 0.96 0.02 0.00 0.00 0.00 0.00 176.54 177.48 2hmx n ARG 59 N -2.67 0.70 0.25 0.00 0.63 0.20 0.59 116.66 116.36 2hmx n ARG 59 Ca -0.02 0.20 0.10 0.00 -0.92 0.00 0.00 57.85 57.21 2hmx n ARG 59 Cb 0.07 -1.61 0.65 0.00 0.45 0.00 0.00 32.46 32.02 2hmx n ARG 59 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2hmx h GLN 60 N 0.03 0.00 0.12 -0.14 -0.00 0.23 -2.23 115.11 113.13 2hmx h GLN 60 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.14 2hmx h GLN 60 Cb 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.46 2hmx h GLN 60 CO 0.00 0.15 -0.06 0.82 0.00 0.00 0.00 178.83 179.74 2hmx h ILE 61 N 0.00 0.00 0.00 2.39 1.08 0.16 -2.39 117.51 118.75 2hmx h ILE 61 Ca -0.00 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2hmx h ILE 61 Cb 0.35 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2hmx h ILE 61 CO 0.02 0.00 0.00 -0.11 -0.69 0.00 0.00 178.15 177.37 2hmx n LEU 62 N -3.40 0.51 -0.10 1.44 7.94 0.20 0.98 117.00 124.57 2hmx n LEU 62 Ca -0.02 0.74 -0.20 0.00 -1.11 0.00 0.00 56.01 55.41 2hmx n LEU 62 Cb 0.06 -0.80 -0.11 0.00 0.53 0.00 0.00 43.42 43.10 2hmx n LEU 62 CO 0.05 -0.90 -0.38 1.23 -1.11 0.00 0.00 177.39 176.28 2hmx h GLY 63 N 0.06 0.00 2.00 -3.96 0.00 -1.51 -2.38 103.07 97.29 2hmx h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hmx h GLY 63 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 2hmx n GLN 64 N -4.47 0.07 -0.06 4.80 -0.06 0.27 -3.39 117.38 114.55 2hmx n GLN 64 Ca -0.28 0.40 -0.06 0.00 -2.00 0.00 0.00 57.00 55.07 2hmx n GLN 64 Cb 0.64 -1.66 -0.09 0.00 -4.06 0.00 0.00 30.24 25.08 2hmx n GLN 64 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2hmx n LEU 65 N -1.79 0.20 0.26 1.69 7.94 0.21 -3.34 117.00 122.17 2hmx n LEU 65 Ca 0.02 -0.01 -0.16 0.00 -1.11 0.00 0.00 56.01 54.75 2hmx n LEU 65 Cb 0.13 0.22 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 2hmx n LEU 65 CO 0.11 0.31 0.69 1.56 -1.11 0.00 0.00 177.39 178.95 2hmx h GLN 66 N 0.00 -0.60 -0.46 1.96 1.08 -1.44 0.94 115.11 116.59 2hmx h GLN 66 Ca -0.31 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.03 2hmx h GLN 66 Cb 1.68 0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 29.16 2hmx h GLN 66 CO 0.01 -0.38 -0.06 -1.35 -0.95 0.00 0.00 178.83 176.10 2hmx h PRO 67 N -0.67 0.05 0.00 1.46 0.11 -1.81 -2.02 132.00 129.12 2hmx h PRO 67 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2hmx h PRO 67 Cb 0.50 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2hmx h PRO 67 CO 0.11 0.03 0.00 0.45 -0.21 0.00 0.00 178.00 178.38 2hmx n SER 68 N -5.28 0.00 0.08 -2.05 2.88 0.15 -1.64 113.62 107.75 2hmx n SER 68 Ca 0.04 -0.58 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 2hmx n SER 68 Cb 0.25 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.59 2hmx n SER 68 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2hmx h LEU 69 N 0.00 0.68 -1.88 2.46 3.38 0.14 0.83 115.31 120.92 2hmx h LEU 69 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2hmx h LEU 69 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2hmx h LEU 69 CO 0.00 1.41 0.00 0.06 0.09 0.00 0.00 178.44 180.00 2hmx h GLN 70 N 0.24 0.00 0.00 1.13 3.07 -1.45 -2.06 115.11 116.04 2hmx h GLN 70 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2hmx h GLN 70 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.33 2hmx h GLN 70 CO 0.20 0.00 -1.26 0.25 0.09 0.00 0.00 178.83 178.11 2hmx n THR 71 N -2.59 0.00 0.00 1.86 -2.24 -0.48 -4.89 114.28 105.94 2hmx n THR 71 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2hmx n THR 71 Cb 0.09 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2hmx n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hmx n GLY 72 N 2.11 -0.32 3.70 3.38 0.00 0.28 -5.08 105.19 109.27 2hmx n GLY 72 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2hmx n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hmx s SER 73 N -2.40 -0.00 0.08 1.61 1.04 -1.21 -4.83 113.70 108.00 2hmx s SER 73 Ca 0.00 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.49 2hmx s SER 73 Cb 0.00 0.01 0.36 0.00 0.10 0.00 0.00 66.02 66.49 2hmx s SER 73 CO 0.00 -0.02 1.22 -0.62 0.98 0.00 0.00 173.24 174.79 2hmx n GLU 74 N -0.65 0.04 0.01 4.02 1.02 -1.26 -1.01 120.64 122.81 2hmx n GLU 74 Ca -0.05 0.51 -0.12 0.00 -0.02 0.00 0.00 57.16 57.48 2hmx n GLU 74 Cb 0.62 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 30.29 2hmx n GLU 74 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2hmx h GLU 75 N 0.00 0.10 -0.24 3.49 5.08 -1.96 -2.10 114.58 118.95 2hmx h GLU 75 Ca 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2hmx h GLU 75 Cb 0.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2hmx h GLU 75 CO 0.00 0.81 0.02 1.25 -1.00 0.00 0.00 179.01 180.09 2hmx h LEU 76 N 0.03 0.32 -0.13 1.33 6.46 -1.39 -1.36 115.31 120.56 2hmx h LEU 76 Ca -0.26 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2hmx h LEU 76 Cb 1.99 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.83 2hmx h LEU 76 CO 0.11 0.36 0.04 -0.09 -0.62 0.00 0.00 178.44 178.24 2hmx h ARG 77 N 0.35 0.19 -0.48 1.25 2.43 -0.63 0.58 114.38 118.07 2hmx h ARG 77 Ca 0.08 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2hmx h ARG 77 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2hmx h ARG 77 CO 0.00 0.32 0.28 1.03 -1.51 0.00 0.00 179.97 180.09 2hmx h SER 78 N 0.03 0.57 0.04 -3.80 0.87 -1.41 0.63 113.55 110.48 2hmx h SER 78 Ca 0.04 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2hmx h SER 78 Cb 0.20 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2hmx h SER 78 CO -0.00 0.45 -0.03 0.25 -0.53 0.00 0.00 176.83 176.97 2hmx h LEU 79 N 0.66 0.00 0.00 2.23 5.85 -0.57 -1.82 115.31 121.66 2hmx h LEU 79 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2hmx h LEU 79 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2hmx h LEU 79 CO -0.03 0.03 -0.93 0.00 -0.34 0.00 0.00 178.44 177.16 2hmx n TYR 80 N -4.30 0.73 0.09 1.25 9.36 0.21 -1.86 117.16 122.64 2hmx n TYR 80 Ca -0.03 0.21 -0.16 0.00 3.32 0.00 0.00 57.90 61.24 2hmx n TYR 80 Cb 0.11 -0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 37.93 2hmx n TYR 80 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 2hmx h ASN 81 N 0.00 0.53 0.80 2.98 7.08 -0.46 -1.81 115.58 124.70 2hmx h ASN 81 Ca 0.00 -0.50 -0.23 0.00 -3.08 0.00 0.00 56.30 52.49 2hmx h ASN 81 Cb 0.89 -0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 36.95 2hmx h ASN 81 CO 0.00 1.35 -1.07 0.71 -2.08 0.00 0.00 177.43 176.34 2hmx h THR 82 N 0.15 1.60 0.02 6.14 1.35 -1.44 0.03 112.91 120.77 2hmx h THR 82 Ca -0.13 -3.16 -0.00 0.00 -0.55 0.00 0.00 66.41 62.57 2hmx h THR 82 Cb 1.83 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 71.07 2hmx h THR 82 CO 0.20 0.91 -0.01 0.40 -0.25 0.00 0.00 175.52 176.77 2hmx h ILE 83 N 0.04 1.41 -0.48 6.82 1.08 -1.45 0.57 117.51 125.50 2hmx h ILE 83 Ca -0.06 -1.43 -0.06 0.00 -0.39 0.00 0.00 64.86 62.93 2hmx h ILE 83 Cb 1.80 2.35 -0.02 0.00 -3.07 0.00 0.00 36.82 37.88 2hmx h ILE 83 CO 0.16 0.36 0.06 0.00 -0.69 0.00 0.00 178.15 178.04 2hmx h ALA 84 N 0.27 1.21 0.83 1.87 0.00 -1.28 0.64 119.26 122.80 2hmx h ALA 84 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2hmx h ALA 84 Cb 0.61 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2hmx h ALA 84 CO 0.01 0.53 -0.40 0.28 0.00 0.00 0.00 179.25 179.67 2hmx h VAL 85 N 0.72 0.12 0.00 0.00 2.07 -0.87 0.56 116.25 118.84 2hmx h VAL 85 Ca 0.15 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2hmx h VAL 85 Cb 0.35 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2hmx h VAL 85 CO 0.01 0.01 -0.00 0.25 0.02 0.00 0.00 177.57 177.85 2hmx h LEU 86 N -1.20 0.00 -0.09 2.57 5.85 0.23 0.97 115.31 123.64 2hmx h LEU 86 Ca -0.11 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 2hmx h LEU 86 Cb 0.86 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.90 2hmx h LEU 86 CO 0.19 0.00 -0.53 0.22 -0.34 0.00 0.00 178.44 177.98 2hmx h TYR 87 N 0.00 0.72 -0.59 1.25 5.03 0.10 0.12 116.97 123.60 2hmx h TYR 87 Ca -0.00 -0.32 0.10 0.00 2.58 0.00 0.00 58.73 61.08 2hmx h TYR 87 Cb 0.09 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 2hmx h TYR 87 CO 0.00 1.11 0.40 0.00 -1.32 0.00 0.00 178.16 178.35 2hmx h VAL 89 N 0.41 0.82 -0.11 0.00 2.07 0.40 0.44 116.25 120.28 2hmx h VAL 89 Ca 0.27 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 2hmx h VAL 89 Cb 0.52 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2hmx h VAL 89 CO -0.07 0.71 -0.06 0.45 0.02 0.00 0.00 177.57 178.61 2hmx h HIS 90 N -0.27 0.17 0.00 1.57 3.86 -0.47 0.18 115.15 120.19 2hmx h HIS 90 Ca -0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2hmx h HIS 90 Cb 1.80 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.22 2hmx h HIS 90 CO 0.10 0.24 0.00 1.04 0.86 0.00 0.00 177.93 180.16 2hmx n GLN 91 N -4.37 0.00 0.00 2.45 1.13 -0.65 -4.88 117.38 111.07 2hmx n GLN 91 Ca -0.01 0.50 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2hmx n GLN 91 Cb 0.20 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2hmx n GLN 91 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2hmx n ARG 92 N -1.99 0.00 -1.88 -1.09 3.00 0.65 -5.13 116.66 110.22 2hmx n ARG 92 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2hmx n ARG 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 2hmx n ARG 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2hmx s ILE 93 N 0.00 2.25 0.23 5.15 1.09 0.15 -4.91 121.20 125.16 2hmx s ILE 93 Ca 0.00 0.23 0.12 0.00 -1.10 0.00 0.00 60.65 59.90 2hmx s ILE 93 Cb 0.00 -3.15 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 2hmx s ILE 93 CO 0.00 0.05 -0.22 1.51 -0.10 0.00 0.00 174.94 176.18 2hmx s ASP 94 N 0.07 3.53 0.28 3.58 -4.77 -1.26 -2.90 116.67 115.21 2hmx s ASP 94 Ca 0.56 -0.93 0.03 0.00 -3.30 0.00 0.00 52.55 48.91 2hmx s ASP 94 Cb -0.45 -0.29 -0.04 0.00 -1.09 0.00 0.00 42.92 41.05 2hmx s ASP 94 CO 0.54 0.08 0.19 0.68 0.70 0.00 0.00 175.17 177.36 2hmx s VAL 95 N -2.06 0.14 -0.15 2.11 -7.23 -1.26 -5.03 120.40 106.91 2hmx s VAL 95 Ca 0.25 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2hmx s VAL 95 Cb -0.07 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.29 2hmx s VAL 95 CO 0.12 0.00 -0.16 0.29 -0.31 0.00 0.00 175.10 175.04 2hmx n LYS 96 N -0.51 0.35 -3.96 4.82 4.76 -1.26 -4.83 118.16 117.54 2hmx n LYS 96 Ca 0.03 0.11 -0.19 0.00 -2.87 0.00 0.00 58.31 55.40 2hmx n LYS 96 Cb 0.64 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.58 2hmx n LYS 96 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2hmx n ASP 97 N -3.27 0.23 0.52 4.39 5.75 -1.26 0.60 116.55 123.52 2hmx n ASP 97 Ca -0.28 -2.85 -0.21 0.00 -0.01 0.00 0.00 54.79 51.44 2hmx n ASP 97 Cb 0.75 1.16 -0.10 0.00 -1.03 0.00 0.00 41.12 41.91 2hmx n ASP 97 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2hmx h THR 98 N 1.75 0.02 0.00 2.12 2.02 -0.22 -2.42 112.91 116.18 2hmx h THR 98 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2hmx h THR 98 Cb 1.02 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2hmx h THR 98 CO 0.35 0.00 0.00 0.07 0.37 0.00 0.00 175.52 176.31 2hmx h LYS 99 N -1.33 0.00 0.12 6.66 2.10 -1.97 0.61 116.57 122.75 2hmx h LYS 99 Ca -0.13 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.24 2hmx h LYS 99 Cb 1.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2hmx h LYS 99 CO 0.21 0.00 -1.39 0.93 -2.00 0.00 0.00 179.45 177.20 2hmx h GLU 100 N 0.00 0.24 0.77 0.07 4.39 -1.90 -1.42 114.58 116.73 2hmx h GLU 100 Ca 0.00 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.24 2hmx h GLU 100 Cb 0.05 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2hmx h GLU 100 CO 0.00 1.20 -0.37 0.00 -1.16 0.00 0.00 179.01 178.68 2hmx h ALA 101 N -0.04 -1.03 0.00 3.43 0.00 -1.10 -2.17 119.26 118.35 2hmx h ALA 101 Ca -0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2hmx h ALA 101 Cb 1.76 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2hmx h ALA 101 CO 0.06 -1.06 0.00 1.25 0.00 0.00 0.00 179.25 179.50 2hmx h LEU 102 N -1.06 0.00 0.04 0.00 5.85 0.21 0.97 115.31 121.32 2hmx h LEU 102 Ca -0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2hmx h LEU 102 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2hmx h LEU 102 CO 0.17 0.00 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.47 2hmx h ASP 103 N 0.00 -0.04 0.00 1.25 1.82 -1.13 0.57 116.42 118.89 2hmx h ASP 103 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2hmx h ASP 103 Cb 0.02 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2hmx h ASP 103 CO 0.00 0.55 0.02 1.17 -1.61 0.00 0.00 179.24 179.38 2hmx n LYS 104 N -4.78 0.13 -0.01 0.28 3.00 0.28 0.97 118.16 118.04 2hmx n LYS 104 Ca -0.03 0.62 0.10 0.00 -0.00 0.00 0.00 58.31 59.00 2hmx n LYS 104 Cb 0.13 -1.94 -0.14 0.00 0.00 0.00 0.00 35.03 33.08 2hmx n LYS 104 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2hmx n ILE 105 N -2.19 0.00 0.95 3.15 2.08 0.17 -0.69 119.36 122.84 2hmx n ILE 105 Ca -0.01 -0.30 0.12 0.00 0.56 0.00 0.00 62.75 63.11 2hmx n ILE 105 Cb 0.06 0.41 0.30 0.00 -0.75 0.00 0.00 39.64 39.65 2hmx n ILE 105 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2hmx n GLU 106 N -1.91 2.07 -0.23 0.38 2.13 0.27 -1.02 120.64 122.34 2hmx n GLU 106 Ca -0.01 -1.60 0.07 0.00 0.66 0.00 0.00 57.16 56.28 2hmx n GLU 106 Cb 0.43 -1.46 0.19 0.00 0.27 0.00 0.00 31.44 30.87 2hmx n GLU 106 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2hmx n GLU 107 N 0.85 2.05 -0.91 5.31 4.07 0.21 -4.84 120.64 127.37 2hmx n GLU 107 Ca 0.17 -1.52 0.00 0.00 -0.06 0.00 0.00 57.16 55.75 2hmx n GLU 107 Cb 0.47 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 2hmx n GLU 107 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2hmx n GLU 108 N 0.70 -1.99 0.00 5.31 -0.58 -0.19 -4.45 120.64 119.44 2hmx n GLU 108 Ca 0.14 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2hmx n GLU 108 Cb 0.38 -4.78 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 2hmx n GLU 108 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2hmx n GLN 109 N 0.90 0.00 -1.55 3.49 -0.06 0.14 -4.36 117.38 115.94 2hmx n GLN 109 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 2hmx n GLN 109 Cb 0.46 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.60 2hmx n GLN 109 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2hmx n ASN 110 N 2.43 2.37 -4.75 1.69 6.94 -1.26 -4.85 115.26 117.84 2hmx n ASN 110 Ca 0.00 -0.46 -0.39 0.00 -0.02 0.00 0.00 54.58 53.71 2hmx n ASN 110 Cb 0.00 -1.58 0.04 0.00 -2.36 0.00 0.00 39.78 35.88 2hmx n ASN 110 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2hmx n LYS 111 N 8.99 1.81 -0.78 -3.83 2.85 -1.26 -4.90 118.16 121.04 2hmx n LYS 111 Ca 0.37 0.66 -0.04 0.00 -1.05 0.00 0.00 58.31 58.25 2hmx n LYS 111 Cb 0.54 -2.58 -0.04 0.00 -0.65 0.00 0.00 35.03 32.30 2hmx n LYS 111 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2hmx n SER 112 N -0.79 -0.56 -4.91 -5.58 3.41 -1.26 -5.11 113.62 98.82 2hmx n SER 112 Ca 0.09 -1.12 -0.28 0.00 -0.26 0.00 0.00 58.87 57.30 2hmx n SER 112 Cb 0.44 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 2hmx n SER 112 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hmx s LYS 113 N 0.00 2.82 0.17 4.33 2.20 -1.26 -4.96 119.74 123.03 2hmx s LYS 113 Ca 0.00 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 2hmx s LYS 113 Cb 0.00 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2hmx s LYS 113 CO 0.00 -0.88 0.00 1.17 -0.36 0.00 0.00 175.35 175.28 2hmx n LYS 114 N -2.77 0.00 -1.12 4.03 0.00 -1.26 -5.18 118.16 111.87 2hmx n LYS 114 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.50 2hmx n LYS 114 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.53 2hmx n LYS 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2hmx n LYS 115 N -2.75 -2.60 0.00 1.64 4.81 -1.26 -5.07 118.16 112.93 2hmx n LYS 115 Ca 0.00 2.13 0.00 0.00 -0.87 0.00 0.00 58.31 59.57 2hmx n LYS 115 Cb 0.00 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.02 2hmx n LYS 115 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hmx n ALA 116 N -3.80 0.00 -0.78 3.14 0.00 -1.26 -5.17 120.51 112.64 2hmx n ALA 116 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2hmx n ALA 116 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2hmx n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hmx n GLN 117 N -0.52 -1.66 -0.11 0.00 1.13 -1.26 -4.84 117.38 110.13 2hmx n GLN 117 Ca 0.00 1.20 -0.21 0.00 -1.94 0.00 0.00 57.00 56.04 2hmx n GLN 117 Cb 0.00 -1.99 -0.08 0.00 0.11 0.00 0.00 30.24 28.28 2hmx n GLN 117 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2hmx n GLN 118 N -3.26 0.49 -3.08 -1.09 0.00 -1.26 -5.02 117.38 104.15 2hmx n GLN 118 Ca -0.01 0.18 -0.21 0.00 -0.00 0.00 0.00 57.00 56.96 2hmx n GLN 118 Cb 0.36 -1.33 0.04 0.00 0.00 0.00 0.00 30.24 29.31 2hmx n GLN 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hmx n ALA 119 N -3.74 -0.96 -1.35 1.69 0.00 -1.26 -4.78 120.51 110.11 2hmx n ALA 119 Ca -0.42 0.29 0.16 0.00 0.00 0.00 0.00 53.44 53.48 2hmx n ALA 119 Cb 0.84 -3.97 -0.09 0.00 0.00 0.00 0.00 19.45 16.23 2hmx n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx n ALA 120 N -3.74 -3.56 -2.25 0.00 0.00 -1.26 -4.99 120.51 104.71 2hmx n ALA 120 Ca -0.08 0.89 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 2hmx n ALA 120 Cb 0.60 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.58 2hmx n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx n ALA 121 N -4.18 -0.27 -0.70 0.00 0.00 -1.26 -5.16 120.51 108.93 2hmx n ALA 121 Ca -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.10 2hmx n ALA 121 Cb 0.64 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 2hmx n ALA 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hmx n ASP 122 N -0.32 -4.19 -0.07 0.00 8.00 -1.26 -4.64 116.55 114.07 2hmx n ASP 122 Ca -0.07 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 2hmx n ASP 122 Cb 0.54 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 2hmx n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hmx h THR 123 N -0.21 0.88 -1.78 -3.53 1.03 -2.06 -3.49 112.91 103.76 2hmx h THR 123 Ca 0.00 -2.24 -0.12 0.00 -0.01 0.00 0.00 66.41 64.04 2hmx h THR 123 Cb 0.21 2.35 0.02 0.00 -1.07 0.00 0.00 68.15 69.66 2hmx h THR 123 CO 0.00 0.49 -0.19 0.61 -0.01 0.00 0.00 175.52 176.42 2hmx n GLY 124 N 1.59 0.34 3.59 2.99 0.00 -1.26 -5.00 105.19 107.43 2hmx n GLY 124 Ca -0.31 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 2hmx n GLY 124 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hmx s ASN 125 N -2.93 3.21 0.34 1.61 2.47 -1.26 -5.10 114.94 113.28 2hmx s ASN 125 Ca 0.10 -1.61 0.00 0.00 0.42 0.00 0.00 52.86 51.77 2hmx s ASN 125 Cb -0.04 0.38 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2hmx s ASN 125 CO 0.12 -0.84 0.00 -0.46 -3.72 0.00 0.00 177.10 172.21 2hmx n ASN 126 N -1.19 -8.20 -1.26 -4.21 6.94 -1.26 -4.76 115.26 101.32 2hmx n ASN 126 Ca -0.09 0.61 -0.16 0.00 -0.02 0.00 0.00 54.58 54.91 2hmx n ASN 126 Cb 0.66 -4.21 -0.07 0.00 -2.36 0.00 0.00 39.78 33.80 2hmx n ASN 126 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2hmx n SER 127 N -4.12 -5.37 -4.35 0.53 7.64 -1.26 -4.88 113.62 101.81 2hmx n SER 127 Ca 0.00 0.41 -0.18 0.00 1.01 0.00 0.00 58.87 60.11 2hmx n SER 127 Cb 0.63 -4.31 -0.10 0.00 -1.01 0.00 0.00 64.21 59.41 2hmx n SER 127 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2hmx s GLN 128 N -3.36 1.48 0.00 1.43 -1.52 -1.26 -5.13 119.66 111.30 2hmx s GLN 128 Ca 0.00 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 51.60 2hmx s GLN 128 Cb 0.00 -0.43 0.00 0.00 -0.22 0.00 0.00 33.01 32.36 2hmx s GLN 128 CO 0.00 -0.27 0.00 0.28 -0.25 0.00 0.00 175.29 175.05 2hmx n VAL 129 N -0.53 0.00 -2.22 1.09 0.31 -1.26 -5.14 118.33 110.58 2hmx n VAL 129 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.05 2hmx n VAL 129 Cb 0.66 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.76 2hmx n VAL 129 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hmx s SER 130 N 1.00 3.42 -0.44 4.52 1.04 -1.26 -5.06 113.70 116.91 2hmx s SER 130 Ca 0.00 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2hmx s SER 130 Cb 0.00 0.01 0.12 0.00 0.10 0.00 0.00 66.02 66.25 2hmx s SER 130 CO 0.00 -2.51 0.17 -1.58 0.98 0.00 0.00 173.24 170.31 2hmx s GLN 131 N -5.63 1.78 -1.73 4.02 0.74 -1.26 -4.74 119.66 112.85 2hmx s GLN 131 Ca 0.73 -2.30 0.00 0.00 0.05 0.00 0.00 55.36 53.84 2hmx s GLN 131 Cb -0.03 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.79 2hmx s GLN 131 CO 0.50 -1.04 0.00 0.09 -0.55 0.00 0.00 175.29 174.29 2hmx n ASN 132 N 3.62 -5.54 -0.56 6.67 4.13 -1.26 -5.36 115.26 116.96 2hmx n ASN 132 Ca 0.05 0.06 0.07 0.00 1.68 0.00 0.00 54.58 56.44 2hmx n ASN 132 Cb 0.37 -4.61 0.06 0.00 -1.54 0.00 0.00 39.78 34.06 2hmx n ASN 132 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32