#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmx n MET 2 N 0.00 -1.30 0.00 -0.41 -0.00 -1.26 -4.62 117.12 109.53 2hmx n MET 2 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 2hmx n MET 2 Cb 0.00 -4.70 0.00 0.00 -0.00 0.00 0.00 33.22 28.52 2hmx n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hmx n GLY 3 N -0.13 1.37 2.76 3.17 0.00 -1.26 -4.36 105.19 106.74 2hmx n GLY 3 Ca -0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 -3.02 -0.78 4.61 0.00 -1.26 -3.75 120.51 113.30 2hmx n ALA 4 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 53.44 54.55 2hmx n ALA 4 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 15.90 2hmx n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hmx n ARG 5 N -0.31 0.00 -3.62 0.00 1.74 -1.26 -4.49 116.66 108.73 2hmx n ARG 5 Ca 0.11 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.14 2hmx n ARG 5 Cb 0.43 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.82 2hmx n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hmx s ALA 6 N -1.00 -2.06 0.00 7.54 0.00 -1.25 -5.18 121.76 119.81 2hmx s ALA 6 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2hmx s ALA 6 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2hmx s ALA 6 CO 0.00 -0.25 0.00 0.45 0.00 0.00 0.00 175.76 175.96 2hmx n SER 7 N 0.69 0.65 0.37 0.00 2.88 -1.25 -5.05 113.62 111.90 2hmx n SER 7 Ca -0.04 -0.39 -0.14 0.00 -1.33 0.00 0.00 58.87 56.97 2hmx n SER 7 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 2hmx n SER 7 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2hmx h VAL 8 N 0.13 0.00 -3.81 2.46 2.07 -1.97 -3.47 116.25 111.66 2hmx h VAL 8 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2hmx h VAL 8 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2hmx h VAL 8 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 2hmx n LEU 9 N -4.64 0.00 -4.80 2.57 4.77 -1.26 -4.81 117.00 108.83 2hmx n LEU 9 Ca -0.12 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.54 2hmx n LEU 9 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2hmx n LEU 9 CO 0.28 -0.38 -0.20 -0.94 -1.33 0.00 0.00 177.39 174.81 2hmx s SER 10 N -0.98 4.23 0.07 -1.43 1.04 -1.26 -4.93 113.70 110.43 2hmx s SER 10 Ca 0.00 -1.61 -0.25 0.00 0.48 0.00 0.00 55.95 54.57 2hmx s SER 10 Cb 0.00 0.58 -0.16 0.00 0.10 0.00 0.00 66.02 66.53 2hmx s SER 10 CO 0.00 -0.93 1.62 1.23 0.98 0.00 0.00 173.24 176.14 2hmx h GLY 11 N 1.22 -0.19 0.94 7.32 0.00 -1.95 0.58 103.07 110.99 2hmx h GLY 11 Ca -0.43 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2hmx h GLY 11 CO 0.71 -0.07 -0.14 -1.33 0.00 0.00 0.00 176.54 175.71 2hmx h GLY 12 N -0.27 0.74 1.92 4.60 0.00 -1.97 -2.53 103.07 105.55 2hmx h GLY 12 Ca -0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 2hmx h GLY 12 CO 0.03 0.59 -0.55 0.83 0.00 0.00 0.00 176.54 177.44 2hmx h GLU 13 N 0.45 0.09 0.49 4.80 5.08 -1.72 0.31 114.58 124.08 2hmx h GLU 13 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2hmx h GLU 13 Cb 0.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2hmx h GLU 13 CO 0.04 0.62 -0.23 1.25 -1.00 0.00 0.00 179.01 179.69 2hmx h LEU 14 N 0.07 -0.55 -2.18 1.33 7.12 0.15 0.55 115.31 121.81 2hmx h LEU 14 Ca -0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2hmx h LEU 14 Cb 1.00 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2hmx h LEU 14 CO 0.08 -0.38 0.00 -0.78 -0.13 0.00 0.00 178.44 177.23 2hmx h ASP 15 N -0.69 0.00 0.73 1.25 1.82 -1.13 0.84 116.42 119.24 2hmx h ASP 15 Ca -0.07 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.32 2hmx h ASP 15 Cb 0.50 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 2hmx h ASP 15 CO 0.11 0.00 -1.37 0.50 -1.61 0.00 0.00 179.24 176.87 2hmx h LYS 16 N 0.00 0.00 0.00 0.28 3.11 -0.40 -3.24 116.57 116.33 2hmx h LYS 16 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hmx h LYS 16 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2hmx h LYS 16 CO 0.00 0.73 0.00 1.87 -2.81 0.00 0.00 179.45 179.24 2hmx n TRP 17 N -3.19 0.66 -0.87 1.91 -0.00 0.27 -3.23 117.44 113.00 2hmx n TRP 17 Ca -0.09 0.29 -0.21 0.00 -0.00 0.00 0.00 57.50 57.49 2hmx n TRP 17 Cb 1.00 -0.96 0.11 0.00 -0.00 0.00 0.00 31.31 31.46 2hmx n TRP 17 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2hmx n GLU 18 N -2.13 2.08 -2.65 5.87 1.02 -0.17 -3.80 120.64 120.86 2hmx n GLU 18 Ca 0.01 -2.39 -0.04 0.00 -0.02 0.00 0.00 57.16 54.72 2hmx n GLU 18 Cb 0.15 -1.94 0.07 0.00 -0.02 0.00 0.00 31.44 29.70 2hmx n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2hmx n LYS 19 N -0.63 0.02 -3.11 3.49 4.81 -0.51 -4.71 118.16 117.53 2hmx n LYS 19 Ca 0.47 -0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 56.95 2hmx n LYS 19 Cb 1.13 0.04 -0.07 0.00 0.02 0.00 0.00 35.03 36.15 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 0.19 4.88 0.48 3.15 1.01 -0.86 -4.71 121.20 125.35 2hmx s ILE 20 Ca 0.25 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.16 2hmx s ILE 20 Cb 0.19 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 2hmx s ILE 20 CO -0.07 -0.37 1.37 -0.60 0.00 0.00 0.00 174.94 175.27 2hmx s ARG 21 N 2.73 3.51 0.00 2.79 6.06 -0.40 0.62 118.95 134.26 2hmx s ARG 21 Ca 0.24 2.27 0.04 0.00 -2.50 0.00 0.00 55.73 55.78 2hmx s ARG 21 Cb -0.14 -2.50 -0.04 0.00 0.06 0.00 0.00 34.95 32.33 2hmx s ARG 21 CO 0.16 -0.90 0.17 1.47 -2.50 0.00 0.00 175.30 173.70 2hmx n LEU 22 N -0.50 0.19 -3.64 -0.88 -0.00 -0.69 -1.00 117.00 110.48 2hmx n LEU 22 Ca 0.07 -0.50 -0.04 0.00 -0.00 0.00 0.00 56.01 55.54 2hmx n LEU 22 Cb 0.44 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.79 2hmx n LEU 22 CO 0.55 0.05 0.77 0.00 -0.00 0.00 0.00 177.39 178.76 2hmx s ARG 23 N -1.38 0.36 0.10 1.47 1.70 -1.23 -4.91 118.95 115.06 2hmx s ARG 23 Ca 0.02 0.54 -0.23 0.00 -0.47 0.00 0.00 55.73 55.58 2hmx s ARG 23 Cb 0.03 0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.43 2hmx s ARG 23 CO 0.16 -0.06 1.71 -1.00 -1.08 0.00 0.00 175.30 175.03 2hmx h PRO 24 N 5.17 -0.12 0.00 3.89 0.14 -1.95 -0.92 132.00 138.22 2hmx h PRO 24 Ca -0.28 0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.87 2hmx h PRO 24 Cb 1.19 0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.35 2hmx h PRO 24 CO 0.17 -0.08 0.00 0.78 0.14 0.00 0.00 178.00 179.01 2hmx h GLY 25 N -0.13 0.00 0.36 1.56 0.00 -1.99 -3.26 103.07 99.62 2hmx h GLY 25 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 2hmx h GLY 25 CO -0.08 0.00 -1.23 -1.33 0.00 0.00 0.00 176.54 173.90 2hmx h GLY 26 N 0.43 0.18 -0.77 4.60 0.00 -1.61 -3.47 103.07 102.42 2hmx h GLY 26 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 47.33 46.53 2hmx h GLY 26 CO 0.00 0.41 -0.30 0.28 0.00 0.00 0.00 176.54 176.92 2hmx n LYS 27 N -4.11 -1.31 -3.74 4.80 5.02 -0.57 -4.99 118.16 113.27 2hmx n LYS 27 Ca -0.25 1.07 -0.36 0.00 -2.02 0.00 0.00 58.31 56.75 2hmx n LYS 27 Cb 0.80 -5.34 -0.07 0.00 -0.02 0.00 0.00 35.03 30.40 2hmx n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hmx s LYS 28 N -3.35 4.01 0.10 1.97 3.01 -1.26 -5.06 119.74 119.17 2hmx s LYS 28 Ca 0.00 -0.15 0.01 0.00 -1.01 0.00 0.00 55.97 54.81 2hmx s LYS 28 Cb 0.00 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 2hmx s LYS 28 CO 0.00 0.41 -0.04 1.14 0.51 0.00 0.00 175.35 177.37 2hmx s GLN 29 N 0.02 0.82 0.43 1.68 0.00 -1.26 -1.71 119.66 119.64 2hmx s GLN 29 Ca 0.11 -1.34 -0.26 0.00 -0.00 0.00 0.00 55.36 53.87 2hmx s GLN 29 Cb -0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 33.01 32.71 2hmx s GLN 29 CO 0.00 -0.07 1.41 0.71 0.00 0.00 0.00 175.29 177.35 2hmx s TYR 30 N -3.72 2.54 0.39 9.60 1.51 0.20 -4.77 117.35 123.10 2hmx s TYR 30 Ca 0.13 1.28 0.04 0.00 -1.01 0.00 0.00 57.07 57.51 2hmx s TYR 30 Cb 0.06 -3.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.00 2hmx s TYR 30 CO -0.05 -2.78 0.12 0.15 -1.11 0.00 0.00 175.55 171.88 2hmx s LYS 31 N -2.37 1.85 0.00 -0.62 1.02 -1.26 -1.43 119.74 116.93 2hmx s LYS 31 Ca 0.59 -2.11 0.03 0.00 0.02 0.00 0.00 55.97 54.50 2hmx s LYS 31 Cb -0.43 -0.63 0.12 0.00 -0.52 0.00 0.00 37.83 36.37 2hmx s LYS 31 CO 0.56 -0.42 1.02 -0.11 -0.92 0.00 0.00 175.35 175.48 2hmx n LEU 32 N -0.85 0.00 0.10 3.17 -0.00 -1.26 0.97 117.00 119.13 2hmx n LEU 32 Ca -0.05 0.42 -0.06 0.00 -0.00 0.00 0.00 56.01 56.33 2hmx n LEU 32 Cb 0.65 -0.42 0.05 0.00 -0.00 0.00 0.00 43.42 43.70 2hmx n LEU 32 CO 0.37 -0.38 0.35 0.50 -0.00 0.00 0.00 177.39 178.22 2hmx h LYS 33 N 0.00 0.12 -0.22 1.96 3.64 -1.96 0.24 116.57 120.36 2hmx h LYS 33 Ca 0.00 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 2hmx h LYS 33 Cb 0.04 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2hmx h LYS 33 CO 0.00 0.83 -0.34 0.45 -2.27 0.00 0.00 179.45 178.12 2hmx h HIS 34 N 0.08 0.76 -0.28 1.91 3.86 0.24 -2.29 115.15 119.42 2hmx h HIS 34 Ca -0.02 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2hmx h HIS 34 Cb 1.34 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2hmx h HIS 34 CO 0.02 1.00 0.15 0.97 0.86 0.00 0.00 177.93 180.93 2hmx h ILE 35 N 0.31 1.13 -0.31 2.45 2.10 -0.93 0.43 117.51 122.68 2hmx h ILE 35 Ca 0.02 -0.34 -0.06 0.00 1.08 0.00 0.00 64.86 65.56 2hmx h ILE 35 Cb 0.92 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 2hmx h ILE 35 CO 0.08 0.13 -0.07 0.58 -1.08 0.00 0.00 178.15 177.79 2hmx h VAL 36 N 0.34 1.21 0.73 2.19 2.07 -0.55 0.58 116.25 122.82 2hmx h VAL 36 Ca 0.10 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2hmx h VAL 36 Cb 0.07 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2hmx h VAL 36 CO -0.02 0.30 -0.49 -0.25 0.02 0.00 0.00 177.57 177.13 2hmx h TRP 37 N 0.47 -1.32 0.23 1.57 7.01 -1.35 -1.06 115.95 121.51 2hmx h TRP 37 Ca 0.10 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 2hmx h TRP 37 Cb 0.41 0.48 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 2hmx h TRP 37 CO 0.01 -0.72 -0.11 0.00 -2.79 0.00 0.00 178.44 174.84 2hmx h ALA 38 N -1.06 -1.05 0.00 2.65 0.00 0.15 0.35 119.26 120.31 2hmx h ALA 38 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hmx h ALA 38 Cb 0.94 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2hmx h ALA 38 CO 0.07 -1.02 0.01 1.03 0.00 0.00 0.00 179.25 179.33 2hmx h SER 39 N -0.31 0.00 0.20 0.00 0.87 0.07 0.89 113.55 115.27 2hmx h SER 39 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2hmx h SER 39 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2hmx h SER 39 CO 0.05 0.00 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.16 2hmx h ARG 40 N 0.00 -0.26 0.00 2.24 2.43 -1.18 -2.47 114.38 115.14 2hmx h ARG 40 Ca 0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2hmx h ARG 40 Cb 0.02 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2hmx h ARG 40 CO 0.00 -0.18 -0.04 1.49 -1.51 0.00 0.00 179.97 179.73 2hmx h GLU 41 N -0.36 0.00 0.25 0.20 4.57 0.28 0.98 114.58 120.50 2hmx h GLU 41 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2hmx h GLU 41 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2hmx h GLU 41 CO 0.05 0.04 -0.12 1.25 -1.18 0.00 0.00 179.01 179.05 2hmx h LEU 42 N 0.00 -0.28 -2.90 1.64 5.85 -0.45 0.37 115.31 119.54 2hmx h LEU 42 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2hmx h LEU 42 Cb 0.11 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2hmx h LEU 42 CO 0.01 -0.19 0.03 1.05 -0.34 0.00 0.00 178.44 178.99 2hmx h GLU 43 N -0.35 0.00 0.00 1.25 -0.00 -0.40 0.11 114.58 115.19 2hmx h GLU 43 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2hmx h GLU 43 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.00 2hmx h GLU 43 CO 0.06 0.00 -1.23 2.89 -0.00 0.00 0.00 179.01 180.72 2hmx n ARG 44 N -3.11 0.19 0.28 1.06 1.85 -0.10 -1.51 116.66 115.32 2hmx n ARG 44 Ca -0.03 -0.05 -0.11 0.00 -1.00 0.00 0.00 57.85 56.66 2hmx n ARG 44 Cb 0.10 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 2hmx n ARG 44 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2hmx h PHE 45 N 0.00 -0.66 0.00 2.89 0.04 0.23 -3.46 116.94 115.98 2hmx h PHE 45 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2hmx h PHE 45 Cb 0.62 0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2hmx h PHE 45 CO 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 178.31 177.30 2hmx n ALA 46 N -2.39 0.57 -2.43 2.45 0.00 -0.87 -5.10 120.51 112.74 2hmx n ALA 46 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 2hmx n ALA 46 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 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 0.60 -0.06 0.00 1.01 -0.57 -5.01 120.40 116.39 2hmx s VAL 47 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.02 2hmx s VAL 47 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2hmx s VAL 47 CO 0.00 0.00 -0.17 0.21 0.00 0.00 0.00 175.10 175.14 2hmx s ASN 48 N -3.49 2.20 0.26 3.32 3.84 -1.26 -4.39 114.94 115.43 2hmx s ASN 48 Ca 0.31 -0.37 -0.02 0.00 0.21 0.00 0.00 52.86 52.99 2hmx s ASN 48 Cb 0.05 -0.78 0.56 0.00 -0.55 0.00 0.00 41.25 40.54 2hmx s ASN 48 CO 0.16 0.12 1.67 1.55 -2.79 0.00 0.00 177.10 177.81 2hmx h PRO 49 N 6.50 0.25 0.00 0.43 0.13 -1.90 -1.43 132.00 135.98 2hmx h PRO 49 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2hmx h PRO 49 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2hmx h PRO 49 CO 0.48 0.16 -0.70 0.78 -0.23 0.00 0.00 178.00 178.49 2hmx h GLY 50 N 0.26 0.00 1.80 1.56 0.00 -1.96 0.89 103.07 105.61 2hmx h GLY 50 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2hmx h GLY 50 CO -0.57 0.00 0.09 -2.00 0.00 0.00 0.00 176.54 174.06 2hmx h LEU 51 N 0.00 0.00 0.00 3.11 6.46 -1.67 0.12 115.31 123.33 2hmx h LEU 51 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2hmx h LEU 51 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2hmx h LEU 51 CO 0.00 0.00 -0.35 -0.11 -0.62 0.00 0.00 178.44 177.36 2hmx n LEU 52 N -2.74 0.20 0.32 2.25 -0.00 0.28 -1.13 117.00 116.18 2hmx n LEU 52 Ca -0.02 -0.44 0.20 0.00 -0.00 0.00 0.00 56.01 55.75 2hmx n LEU 52 Cb 0.14 0.00 1.08 0.00 -0.00 0.00 0.00 43.42 44.64 2hmx n LEU 52 CO 0.15 0.05 1.15 -0.08 -0.00 0.00 0.00 177.39 178.66 2hmx h GLU 53 N 0.00 0.00 -5.88 1.96 4.81 0.20 -3.39 114.58 112.27 2hmx h GLU 53 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 2hmx h GLU 53 Cb 0.13 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 2hmx h GLU 53 CO 0.00 0.01 -0.53 0.95 -0.73 0.00 0.00 179.01 178.71 2hmx s THR 54 N -4.27 5.13 0.34 0.32 -4.23 -0.89 -4.92 115.64 107.12 2hmx s THR 54 Ca -0.05 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 2hmx s THR 54 Cb 0.13 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.91 2hmx s THR 54 CO 0.47 0.35 1.89 0.77 -0.54 0.00 0.00 174.62 177.56 2hmx h SER 55 N 4.00 0.72 0.55 3.99 4.64 -1.86 0.40 113.55 125.98 2hmx h SER 55 Ca -0.49 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2hmx h SER 55 Cb 1.19 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2hmx h SER 55 CO 0.65 0.40 -0.26 -0.08 -0.87 0.00 0.00 176.83 176.68 2hmx h GLU 56 N 0.78 -0.71 0.00 4.77 4.81 -1.93 0.61 114.58 122.91 2hmx h GLU 56 Ca 0.41 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2hmx h GLU 56 Cb 0.52 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2hmx h GLU 56 CO -0.18 -0.41 -0.61 0.78 -0.73 0.00 0.00 179.01 177.86 2hmx h GLY 57 N -0.91 0.00 0.96 1.92 0.00 -1.28 0.52 103.07 104.28 2hmx h GLY 57 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2hmx h GLY 57 CO 0.12 0.00 0.54 0.00 0.00 0.00 0.00 176.54 177.20 2hmx h ARG 59 N 1.08 0.00 0.00 0.00 2.43 0.50 0.97 114.38 119.36 2hmx h ARG 59 Ca 0.31 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2hmx h ARG 59 Cb -0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2hmx h ARG 59 CO -0.08 0.45 -0.06 0.37 -1.51 0.00 0.00 179.97 179.13 2hmx h GLN 60 N 0.00 0.00 0.00 0.20 5.75 0.59 -1.79 115.11 119.86 2hmx h GLN 60 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2hmx h GLN 60 Cb 0.87 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.42 2hmx h GLN 60 CO 0.06 0.06 -0.47 0.82 -2.65 0.00 0.00 178.83 176.65 2hmx h ILE 61 N 0.00 0.00 0.00 2.39 1.08 0.17 -2.49 117.51 118.66 2hmx h ILE 61 Ca -0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2hmx h ILE 61 Cb 0.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 2hmx h ILE 61 CO 0.01 0.00 0.00 0.25 -0.69 0.00 0.00 178.15 177.72 2hmx h LEU 62 N -0.94 0.00 0.07 1.44 5.85 0.16 0.99 115.31 122.88 2hmx h LEU 62 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hmx h LEU 62 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2hmx h LEU 62 CO 0.00 0.00 -0.03 1.23 -0.34 0.00 0.00 178.44 179.30 2hmx h GLY 63 N 0.18 -0.10 2.00 3.75 0.00 -1.43 -2.47 103.07 105.00 2hmx h GLY 63 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2hmx h GLY 63 CO 0.00 -0.04 0.00 -1.61 0.00 0.00 0.00 176.54 174.89 2hmx h GLN 64 N -1.01 0.00 0.00 4.80 5.75 0.12 -3.28 115.11 121.49 2hmx h GLN 64 Ca -0.01 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.19 2hmx h GLN 64 Cb 0.07 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 2hmx h GLN 64 CO 0.02 0.00 -2.11 -0.11 -2.65 0.00 0.00 178.83 173.97 2hmx n LEU 65 N -2.63 0.77 0.20 -2.39 7.94 0.21 -2.88 117.00 118.22 2hmx n LEU 65 Ca -0.02 -0.03 -0.15 0.00 -1.11 0.00 0.00 56.01 54.71 2hmx n LEU 65 Cb 0.08 0.11 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 2hmx n LEU 65 CO 0.15 0.51 0.74 1.56 -1.11 0.00 0.00 177.39 179.24 2hmx h GLN 66 N 0.00 -0.43 -0.50 1.96 4.20 -1.49 0.95 115.11 119.80 2hmx h GLN 66 Ca -0.44 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.40 2hmx h GLN 66 Cb 1.91 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 29.70 2hmx h GLN 66 CO -0.00 -0.26 -0.05 -1.00 -0.67 0.00 0.00 178.83 176.85 2hmx h PRO 67 N -0.49 0.06 0.00 1.46 0.13 -1.78 -2.09 132.00 129.29 2hmx h PRO 67 Ca -0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2hmx h PRO 67 Cb 0.37 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2hmx h PRO 67 CO 0.07 0.04 0.00 0.45 -0.23 0.00 0.00 178.00 178.33 2hmx n SER 68 N -5.29 0.00 0.08 1.44 2.88 0.20 -1.55 113.62 111.38 2hmx n SER 68 Ca 0.05 -0.74 -0.16 0.00 -1.33 0.00 0.00 58.87 56.69 2hmx n SER 68 Cb 0.27 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.62 -1.18 2.46 3.38 0.13 0.83 115.31 121.55 2hmx h LEU 69 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2hmx h LEU 69 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2hmx h LEU 69 CO 0.00 1.35 0.00 0.00 0.09 0.00 0.00 178.44 179.88 2hmx n GLN 70 N -3.73 0.13 -0.00 1.13 10.64 -0.59 -1.87 117.38 123.09 2hmx n GLN 70 Ca -0.09 0.59 0.01 0.00 -1.83 0.00 0.00 57.00 55.69 2hmx n GLN 70 Cb 0.90 -1.90 -0.02 0.00 -0.86 0.00 0.00 30.24 28.37 2hmx n GLN 70 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2hmx n THR 71 N -2.17 0.00 0.00 -0.39 -2.24 -0.49 -4.92 114.28 104.07 2hmx n THR 71 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2hmx n THR 71 Cb 0.06 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.19 -0.24 3.58 3.38 0.00 0.28 -5.08 105.19 109.30 2hmx n GLY 72 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.50 -0.02 0.39 1.61 1.04 -1.23 -4.80 113.70 109.19 2hmx s SER 73 Ca 0.00 -0.03 0.27 0.00 0.48 0.00 0.00 55.95 56.67 2hmx s SER 73 Cb 0.00 0.04 1.40 0.00 0.10 0.00 0.00 66.02 67.56 2hmx s SER 73 CO 0.00 -0.07 1.82 -0.08 0.98 0.00 0.00 173.24 175.89 2hmx h GLU 74 N 2.00 0.00 0.00 4.02 4.22 -1.99 0.34 114.58 123.17 2hmx h GLU 74 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.18 2hmx h GLU 74 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hmx h GLU 74 CO 0.27 0.00 -0.63 1.49 -2.18 0.00 0.00 179.01 177.96 2hmx h GLU 75 N 0.00 0.00 0.00 1.92 4.81 -1.97 0.14 114.58 119.48 2hmx h GLU 75 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2hmx h GLU 75 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2hmx h GLU 75 CO 0.00 0.00 -0.74 1.25 -0.73 0.00 0.00 179.01 178.79 2hmx h LEU 76 N 0.00 0.00 -1.18 1.64 6.46 -0.73 -2.41 115.31 119.10 2hmx h LEU 76 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2hmx h LEU 76 Cb 0.80 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 2hmx h LEU 76 CO 0.00 0.74 0.27 -0.09 -0.62 0.00 0.00 178.44 178.74 2hmx h ARG 77 N 0.00 0.85 0.01 1.25 2.43 0.71 0.58 114.38 120.21 2hmx h ARG 77 Ca -0.01 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2hmx h ARG 77 Cb 1.52 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2hmx h ARG 77 CO 0.10 0.67 -0.01 0.77 -1.51 0.00 0.00 179.97 179.99 2hmx h SER 78 N 0.85 -0.01 0.19 -3.80 0.02 -1.40 -2.25 113.55 107.14 2hmx h SER 78 Ca 0.21 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2hmx h SER 78 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2hmx h SER 78 CO -0.03 0.24 0.00 0.25 -1.14 0.00 0.00 176.83 176.16 2hmx h LEU 79 N -0.27 0.00 0.02 5.07 5.85 -0.88 -0.47 115.31 124.62 2hmx h LEU 79 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 2hmx h LEU 79 Cb 0.26 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2hmx h LEU 79 CO 0.00 0.00 -1.78 0.00 -0.34 0.00 0.00 178.44 176.32 2hmx n TYR 80 N -2.41 1.00 0.01 1.25 9.36 0.20 -1.96 117.16 124.61 2hmx n TYR 80 Ca -0.01 0.33 -0.14 0.00 3.32 0.00 0.00 57.90 61.41 2hmx n TYR 80 Cb 0.09 -1.18 -0.02 0.00 -0.63 0.00 0.00 39.34 37.60 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 0.01 0.74 0.45 2.98 7.08 -0.53 0.24 115.58 126.54 2hmx h ASN 81 Ca -0.32 -0.48 -0.25 0.00 -3.08 0.00 0.00 56.30 52.17 2hmx h ASN 81 Cb 2.03 -0.22 0.01 0.00 -2.08 0.00 0.00 38.32 38.05 2hmx h ASN 81 CO 0.08 1.25 -1.09 0.71 -2.08 0.00 0.00 177.43 176.29 2hmx h THR 82 N 0.43 1.43 0.08 6.14 1.35 -1.41 0.24 112.91 121.17 2hmx h THR 82 Ca -0.04 -2.70 -0.00 0.00 -0.55 0.00 0.00 66.41 63.11 2hmx h THR 82 Cb 1.35 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 2hmx h THR 82 CO 0.14 0.80 -0.04 0.40 -0.25 0.00 0.00 175.52 176.57 2hmx h ILE 83 N 0.16 1.01 -0.27 6.82 1.08 -1.32 0.58 117.51 125.58 2hmx h ILE 83 Ca -0.11 -0.31 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2hmx h ILE 83 Cb 1.77 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2hmx h ILE 83 CO 0.19 0.08 -0.30 0.00 -0.69 0.00 0.00 178.15 177.42 2hmx h ALA 84 N 0.67 0.98 0.83 1.87 0.00 -0.27 0.58 119.26 123.92 2hmx h ALA 84 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2hmx h ALA 84 Cb 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hmx h ALA 84 CO 0.02 0.60 -0.40 0.28 0.00 0.00 0.00 179.25 179.75 2hmx h VAL 85 N 0.48 0.16 0.00 0.00 2.07 -0.41 0.41 116.25 118.95 2hmx h VAL 85 Ca 0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2hmx h VAL 85 Cb 0.76 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2hmx h VAL 85 CO 0.06 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.87 2hmx h LEU 86 N -1.15 0.00 -0.26 2.57 5.85 0.71 0.97 115.31 124.00 2hmx h LEU 86 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2hmx h LEU 86 Cb 0.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2hmx h LEU 86 CO 0.19 0.04 0.06 0.22 -0.34 0.00 0.00 178.44 178.61 2hmx h TYR 87 N 0.00 0.43 -0.45 1.25 5.03 0.88 0.39 116.97 124.50 2hmx h TYR 87 Ca -0.00 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.30 2hmx h TYR 87 Cb 0.09 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2hmx h TYR 87 CO 0.00 0.49 0.30 0.00 -1.32 0.00 0.00 178.16 177.63 2hmx h VAL 89 N 0.45 0.90 0.00 0.00 2.07 0.61 0.16 116.25 120.43 2hmx h VAL 89 Ca 0.19 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.21 2hmx h VAL 89 Cb 0.18 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2hmx h VAL 89 CO -0.05 0.84 -0.16 0.45 0.02 0.00 0.00 177.57 178.67 2hmx h HIS 90 N 0.03 0.00 0.00 1.57 3.86 0.15 0.28 115.15 121.04 2hmx h HIS 90 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2hmx h HIS 90 Cb 2.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.50 2hmx h HIS 90 CO 0.10 0.16 0.00 1.04 0.86 0.00 0.00 177.93 180.09 2hmx n GLN 91 N -4.30 0.00 0.00 2.45 1.13 -0.80 -4.86 117.38 111.00 2hmx n GLN 91 Ca -0.02 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 2hmx n GLN 91 Cb 0.23 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.48 0.00 -1.80 -1.09 3.00 0.97 -5.14 116.66 111.13 2hmx n ARG 92 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2hmx n ARG 92 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 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 2.15 0.16 5.15 1.09 0.54 -4.92 121.20 125.37 2hmx s ILE 93 Ca 0.00 0.12 0.11 0.00 -1.10 0.00 0.00 60.65 59.78 2hmx s ILE 93 Cb 0.00 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2hmx s ILE 93 CO 0.00 0.02 -0.25 1.51 -0.10 0.00 0.00 174.94 176.12 2hmx s ASP 94 N 0.75 3.25 0.45 3.58 1.47 -1.26 -2.88 116.67 122.02 2hmx s ASP 94 Ca 0.67 -0.80 0.03 0.00 1.18 0.00 0.00 52.55 53.63 2hmx s ASP 94 Cb -0.48 -0.22 -0.01 0.00 -0.34 0.00 0.00 42.92 41.87 2hmx s ASP 94 CO 0.41 0.13 0.12 0.68 0.68 0.00 0.00 175.17 177.19 2hmx s VAL 95 N -1.40 0.60 -0.34 2.11 -7.23 -1.26 -5.03 120.40 107.85 2hmx s VAL 95 Ca 0.16 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 2hmx s VAL 95 Cb -0.09 -2.22 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 2hmx s VAL 95 CO 0.07 0.00 0.30 0.29 -0.31 0.00 0.00 175.10 175.45 2hmx n LYS 96 N -1.04 4.61 -3.77 4.82 4.76 -1.26 -4.86 118.16 121.41 2hmx n LYS 96 Ca -0.10 -0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.28 2hmx n LYS 96 Cb 0.65 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 2hmx n LYS 96 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2hmx s ASP 97 N -1.54 -0.07 0.00 4.39 2.15 -1.26 -1.28 116.67 119.07 2hmx s ASP 97 Ca 0.03 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.65 2hmx s ASP 97 Cb 0.05 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2hmx s ASP 97 CO 0.25 -0.65 0.32 0.41 -0.17 0.00 0.00 175.17 175.34 2hmx n THR 98 N -0.59 0.00 0.08 1.71 -1.04 -0.17 -2.05 114.28 112.22 2hmx n THR 98 Ca -0.05 0.81 0.01 0.00 -2.04 0.00 0.00 64.05 62.79 2hmx n THR 98 Cb 0.61 -1.80 0.05 0.00 -1.82 0.00 0.00 70.33 67.37 2hmx n THR 98 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2hmx n LYS 99 N -0.33 0.01 0.01 -2.82 2.85 -1.26 0.99 118.16 117.61 2hmx n LYS 99 Ca 0.00 0.41 -0.19 0.00 -1.05 0.00 0.00 58.31 57.49 2hmx n LYS 99 Cb 0.00 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.74 2hmx n LYS 99 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2hmx h GLU 100 N 0.00 0.21 0.16 -1.58 4.22 -1.96 0.28 114.58 115.91 2hmx h GLU 100 Ca 0.00 -0.36 0.01 0.00 0.08 0.00 0.00 59.36 59.09 2hmx h GLU 100 Cb 0.03 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2hmx h GLU 100 CO 0.00 1.17 -0.19 0.00 -2.18 0.00 0.00 179.01 177.81 2hmx h ALA 101 N 0.03 -0.37 0.00 2.92 0.00 0.12 -1.50 119.26 120.47 2hmx h ALA 101 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hmx h ALA 101 Cb 1.47 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2hmx h ALA 101 CO 0.10 -0.74 0.00 1.25 0.00 0.00 0.00 179.25 179.86 2hmx h LEU 102 N -0.40 0.00 0.13 0.00 5.85 0.29 0.92 115.31 122.10 2hmx h LEU 102 Ca 0.01 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 2hmx h LEU 102 Cb 0.39 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.44 2hmx h LEU 102 CO -0.07 0.00 -0.87 -0.78 -0.34 0.00 0.00 178.44 176.39 2hmx h ASP 103 N 0.00 0.53 -0.80 1.25 1.82 0.61 0.58 116.42 120.40 2hmx h ASP 103 Ca 0.00 -0.92 0.12 0.00 -0.39 0.00 0.00 57.03 55.84 2hmx h ASP 103 Cb 0.13 -0.17 -0.08 0.00 0.68 0.00 0.00 39.33 39.89 2hmx h ASP 103 CO 0.00 1.41 0.41 0.50 -1.61 0.00 0.00 179.24 179.95 2hmx h LYS 104 N -0.26 0.63 -0.00 0.28 1.63 0.12 -2.02 116.57 116.95 2hmx h LYS 104 Ca -0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2hmx h LYS 104 Cb 1.66 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.15 2hmx h LYS 104 CO 0.16 0.42 -0.47 -0.89 -3.45 0.00 0.00 179.45 175.23 2hmx n ILE 105 N -4.84 0.00 0.16 2.00 2.08 0.04 -0.58 119.36 118.21 2hmx n ILE 105 Ca 0.14 -0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.57 2hmx n ILE 105 Cb 0.35 0.21 0.04 0.00 -0.75 0.00 0.00 39.64 39.49 2hmx n ILE 105 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2hmx h GLU 106 N 0.02 0.00 0.00 0.38 4.57 0.75 -1.97 114.58 118.33 2hmx h GLU 106 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hmx h GLU 106 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2hmx h GLU 106 CO 0.00 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 175.92 2hmx n GLU 107 N -2.70 0.08 -1.34 1.92 2.13 -0.82 -4.75 120.64 115.17 2hmx n GLU 107 Ca 0.01 0.24 -0.12 0.00 0.66 0.00 0.00 57.16 57.95 2hmx n GLU 107 Cb 0.54 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 2hmx n GLU 107 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2hmx n GLU 108 N -1.39 -1.68 -2.70 5.31 -0.58 -0.74 -4.19 120.64 114.66 2hmx n GLU 108 Ca 0.04 0.92 -0.02 0.00 -0.42 0.00 0.00 57.16 57.68 2hmx n GLU 108 Cb 0.11 -5.35 -0.02 0.00 -0.57 0.00 0.00 31.44 25.62 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 -0.93 -3.77 -1.34 3.49 0.00 0.25 -4.81 117.38 110.27 2hmx n GLN 109 Ca -0.12 2.95 0.00 0.00 -0.00 0.00 0.00 57.00 59.84 2hmx n GLN 109 Cb 0.60 -5.14 0.00 0.00 0.00 0.00 0.00 30.24 25.70 2hmx n GLN 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2hmx n ASN 110 N 1.06 -7.37 -2.17 1.69 3.02 -1.26 -5.02 115.26 105.21 2hmx n ASN 110 Ca -0.13 1.11 -0.01 0.00 -0.03 0.00 0.00 54.58 55.52 2hmx n ASN 110 Cb 0.22 -3.91 -0.01 0.00 -0.61 0.00 0.00 39.78 35.47 2hmx n ASN 110 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hmx n LYS 111 N -1.08 -4.33 -3.95 3.52 4.76 -1.26 -4.99 118.16 110.84 2hmx n LYS 111 Ca 0.00 3.23 -0.36 0.00 -2.87 0.00 0.00 58.31 58.31 2hmx n LYS 111 Cb 0.04 -4.11 -0.08 0.00 -1.84 0.00 0.00 35.03 29.04 2hmx n LYS 111 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2hmx s SER 112 N -0.51 6.00 0.11 4.39 0.01 -1.26 -4.55 113.70 117.89 2hmx s SER 112 Ca -0.03 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2hmx s SER 112 Cb 0.00 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2hmx s SER 112 CO 0.08 0.30 0.00 0.29 0.41 0.00 0.00 173.24 174.32 2hmx n LYS 113 N 2.71 -4.32 -0.09 12.44 4.76 -1.26 -4.98 118.16 127.43 2hmx n LYS 113 Ca -0.18 3.19 -0.16 0.00 -2.87 0.00 0.00 58.31 58.28 2hmx n LYS 113 Cb 0.53 -3.53 -0.10 0.00 -1.84 0.00 0.00 35.03 30.09 2hmx n LYS 113 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2hmx h LYS 114 N 3.39 0.00 -6.49 1.97 1.63 -1.92 -3.44 116.57 111.70 2hmx h LYS 114 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 2hmx h LYS 114 Cb 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.66 2hmx h LYS 114 CO 0.00 0.83 0.96 0.21 -3.45 0.00 0.00 179.45 178.00 2hmx s LYS 115 N -2.25 4.21 0.00 1.90 2.20 -1.26 -4.97 119.74 119.57 2hmx s LYS 115 Ca -0.23 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 2hmx s LYS 115 Cb 0.02 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2hmx s LYS 115 CO 0.55 -0.69 0.00 0.00 -0.36 0.00 0.00 175.35 174.85 2hmx n ALA 116 N 5.09 0.00 -0.52 3.13 0.00 -1.26 -4.92 120.51 122.03 2hmx n ALA 116 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2hmx n ALA 116 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2hmx n ALA 116 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2hmx n GLN 117 N 0.00 0.00 0.00 0.00 -0.06 -1.26 -4.46 117.38 111.60 2hmx n GLN 117 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hmx n GLN 117 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2hmx n GLN 117 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2hmx n GLN 118 N 0.00 0.00 -2.89 3.69 6.02 -1.26 -5.10 117.38 117.83 2hmx n GLN 118 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2hmx n GLN 118 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2hmx n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hmx s ALA 119 N -1.00 -4.33 0.00 -1.58 0.00 -1.26 -5.15 121.76 108.44 2hmx s ALA 119 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2hmx s ALA 119 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2hmx s ALA 119 CO 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 175.76 173.39 2hmx n ALA 120 N 4.15 0.00 -2.71 0.00 0.00 -1.26 -4.44 120.51 116.25 2hmx n ALA 120 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2hmx n ALA 120 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 2hmx n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx s ALA 121 N -1.93 2.96 -0.11 0.00 0.00 -1.26 -4.68 121.76 116.74 2hmx s ALA 121 Ca 0.00 -2.01 0.16 0.00 0.00 0.00 0.00 51.96 50.11 2hmx s ALA 121 Cb 0.00 -4.18 0.36 0.00 0.00 0.00 0.00 23.12 19.30 2hmx s ALA 121 CO 0.00 -3.17 1.17 -0.40 0.00 0.00 0.00 175.76 173.35 2hmx n ASP 122 N 8.23 1.37 -3.09 0.00 5.75 -1.26 -4.83 116.55 122.72 2hmx n ASP 122 Ca 0.13 -2.95 -0.17 0.00 -0.01 0.00 0.00 54.79 51.79 2hmx n ASP 122 Cb 0.49 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2hmx n ASP 122 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2hmx n THR 123 N -0.51 -0.61 -0.39 2.12 -2.24 -1.26 -5.11 114.28 106.29 2hmx n THR 123 Ca 0.12 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.33 2hmx n THR 123 Cb 0.83 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2hmx n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hmx n GLY 124 N 2.45 5.20 2.02 3.38 0.00 -1.26 -5.12 105.19 111.86 2hmx n GLY 124 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2hmx n GLY 124 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hmx n ASN 125 N 0.00 -0.48 -1.51 1.61 4.13 -1.26 -5.02 115.26 112.74 2hmx n ASN 125 Ca 0.00 0.28 -0.19 0.00 1.68 0.00 0.00 54.58 56.35 2hmx n ASN 125 Cb 0.00 0.59 -0.07 0.00 -1.54 0.00 0.00 39.78 38.75 2hmx n ASN 125 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2hmx n ASN 126 N -2.97 -5.27 -3.75 6.41 4.13 -1.26 -4.93 115.26 107.61 2hmx n ASN 126 Ca 0.00 0.42 0.03 0.00 1.68 0.00 0.00 54.58 56.70 2hmx n ASN 126 Cb 0.00 -4.41 0.01 0.00 -1.54 0.00 0.00 39.78 33.83 2hmx n ASN 126 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2hmx s SER 127 N -2.74 -0.01 -0.10 6.41 1.04 -1.26 -5.01 113.70 112.03 2hmx s SER 127 Ca 0.00 -0.12 0.15 0.00 0.48 0.00 0.00 55.95 56.46 2hmx s SER 127 Cb 0.00 0.10 0.23 0.00 0.10 0.00 0.00 66.02 66.46 2hmx s SER 127 CO 0.00 -0.20 1.12 0.00 0.98 0.00 0.00 173.24 175.14 2hmx n GLN 128 N -0.74 1.23 -1.27 4.02 -0.00 -1.26 -4.55 117.38 114.81 2hmx n GLN 128 Ca -0.01 -2.30 -0.15 0.00 -0.00 0.00 0.00 57.00 54.53 2hmx n GLN 128 Cb 0.61 -1.34 0.13 0.00 -0.00 0.00 0.00 30.24 29.63 2hmx n GLN 128 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2hmx n VAL 129 N -1.19 2.73 0.00 -0.39 0.24 -1.26 -4.43 118.33 114.03 2hmx n VAL 129 Ca 0.13 -3.25 0.00 0.00 -2.04 0.00 0.00 64.34 59.18 2hmx n VAL 129 Cb 0.62 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2hmx n VAL 129 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2hmx n SER 130 N -0.97 2.73 -2.03 -1.34 7.64 -1.26 -5.13 113.62 113.25 2hmx n SER 130 Ca 0.41 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.29 2hmx n SER 130 Cb 0.95 0.02 0.01 0.00 -1.01 0.00 0.00 64.21 64.18 2hmx n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hmx n GLN 131 N -2.13 0.25 0.00 1.43 10.64 -1.26 -5.15 117.38 121.15 2hmx n GLN 131 Ca 0.00 -0.59 0.00 0.00 -1.83 0.00 0.00 57.00 54.58 2hmx n GLN 131 Cb 0.34 0.81 0.00 0.00 -0.86 0.00 0.00 30.24 30.53 2hmx n GLN 131 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2hmx n ASN 132 N -0.83 0.00 0.00 2.61 3.02 -1.26 -4.65 115.26 114.15 2hmx n ASN 132 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2hmx n ASN 132 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2hmx n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64