#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 0.00 0.00 -0.41 -0.00 -1.26 -4.86 117.12 110.59 2hmx n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2hmx n MET 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.22 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 0.00 0.03 7.00 3.17 0.00 -1.26 -5.12 105.19 109.02 2hmx n GLY 3 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.36 0.00 -2.70 4.61 0.00 -1.26 -4.86 120.51 114.94 2hmx n ALA 4 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2hmx n ALA 4 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2hmx n ALA 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hmx s ARG 5 N 0.00 2.55 -0.02 0.00 3.00 -1.26 -5.06 118.95 118.16 2hmx s ARG 5 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 55.73 54.14 2hmx s ARG 5 Cb 0.00 -2.32 -0.07 0.00 0.00 0.00 0.00 34.95 32.56 2hmx s ARG 5 CO 0.00 0.35 1.80 0.00 0.00 0.00 0.00 175.30 177.45 2hmx s ALA 6 N -2.26 3.58 0.00 2.13 0.00 -1.26 -4.81 121.76 119.14 2hmx s ALA 6 Ca 0.33 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2hmx s ALA 6 Cb -0.07 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2hmx s ALA 6 CO 0.22 -1.51 0.00 0.45 0.00 0.00 0.00 175.76 174.92 2hmx n SER 7 N 7.42 0.00 -0.11 0.00 2.88 -1.26 -5.01 113.62 117.54 2hmx n SER 7 Ca 0.19 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2hmx n SER 7 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 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 1.51 -2.53 2.46 0.31 -1.26 -4.99 118.33 113.82 2hmx n VAL 8 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2hmx n VAL 8 Cb 0.00 -2.18 0.07 0.00 -0.91 0.00 0.00 33.84 30.82 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 -4.39 0.00 0.00 7.52 4.77 -1.26 -4.94 117.00 118.70 2hmx n LEU 9 Ca -0.28 -1.28 -0.14 0.00 -0.03 0.00 0.00 56.01 54.28 2hmx n LEU 9 Cb 0.64 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2hmx n LEU 9 CO 0.14 -0.77 -0.10 -1.54 -1.33 0.00 0.00 177.39 173.79 2hmx n SER 10 N -2.90 2.36 0.32 -1.43 3.41 -1.26 -4.79 113.62 109.33 2hmx n SER 10 Ca 0.10 -1.99 -0.17 0.00 -0.26 0.00 0.00 58.87 56.55 2hmx n SER 10 Cb 0.35 0.21 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.57 -0.82 0.92 5.00 0.00 -1.96 0.58 103.07 107.36 2hmx h GLY 11 Ca -0.18 0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2hmx h GLY 11 CO 0.30 -0.30 -0.13 -1.33 0.00 0.00 0.00 176.54 175.08 2hmx h GLY 12 N -0.86 0.70 2.00 4.60 0.00 -1.98 -2.52 103.07 105.01 2hmx h GLY 12 Ca -0.08 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 2hmx h GLY 12 CO 0.13 0.56 -0.54 0.83 0.00 0.00 0.00 176.54 177.52 2hmx h GLU 13 N 0.41 0.00 0.60 4.80 5.08 -1.81 0.58 114.58 124.24 2hmx h GLU 13 Ca 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2hmx h GLU 13 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2hmx h GLU 13 CO 0.04 0.54 -0.29 1.25 -1.00 0.00 0.00 179.01 179.55 2hmx h LEU 14 N 0.00 -0.68 0.00 1.33 7.12 0.17 0.57 115.31 123.83 2hmx h LEU 14 Ca -0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2hmx h LEU 14 Cb 0.96 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2hmx h LEU 14 CO 0.07 -0.45 0.00 0.47 -0.13 0.00 0.00 178.44 178.40 2hmx n ASP 15 N -4.32 0.00 -0.04 1.25 8.00 -0.88 0.98 116.55 121.53 2hmx n ASP 15 Ca -0.10 0.50 0.02 0.00 0.71 0.00 0.00 54.79 55.92 2hmx n ASP 15 Cb 0.32 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.50 0.67 0.02 -1.24 5.02 0.20 -3.89 118.16 117.43 2hmx n LYS 16 Ca 0.00 -0.09 0.14 0.00 -2.02 0.00 0.00 58.31 56.34 2hmx n LYS 16 Cb 0.01 -1.54 0.58 0.00 -0.02 0.00 0.00 35.03 34.06 2hmx n LYS 16 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2hmx n TRP 17 N -2.50 0.14 -0.46 2.13 -0.00 0.27 -4.04 117.44 112.98 2hmx n TRP 17 Ca -0.16 0.04 -0.13 0.00 -0.00 0.00 0.00 57.50 57.25 2hmx n TRP 17 Cb 0.82 -0.56 0.15 0.00 -0.00 0.00 0.00 31.31 31.72 2hmx n TRP 17 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2hmx n GLU 18 N -1.61 2.13 0.00 5.87 2.13 0.20 -3.41 120.64 125.94 2hmx n GLU 18 Ca 0.07 -2.03 0.00 0.00 0.66 0.00 0.00 57.16 55.86 2hmx n GLU 18 Cb 0.35 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.24 2hmx n GLU 18 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hmx n LYS 19 N -0.44 0.00 -2.66 5.31 5.02 -1.05 -4.85 118.16 119.49 2hmx n LYS 19 Ca 0.37 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.23 2hmx n LYS 19 Cb 1.22 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 36.21 2hmx n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hmx s ILE 20 N 0.00 4.47 0.55 -0.18 1.09 -0.93 -4.79 121.20 121.41 2hmx s ILE 20 Ca 0.00 1.58 -0.20 0.00 -1.10 0.00 0.00 60.65 60.93 2hmx s ILE 20 Cb 0.00 -4.43 -0.05 0.00 -1.06 0.00 0.00 42.46 36.91 2hmx s ILE 20 CO 0.00 -0.57 1.17 -0.60 -0.10 0.00 0.00 174.94 174.83 2hmx s ARG 21 N 3.75 3.25 -0.12 2.79 3.52 0.20 0.65 118.95 132.99 2hmx s ARG 21 Ca 0.45 1.72 -0.12 0.00 -0.13 0.00 0.00 55.73 57.65 2hmx s ARG 21 Cb -0.11 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 2hmx s ARG 21 CO 0.18 -0.96 -0.22 -0.11 -0.81 0.00 0.00 175.30 173.38 2hmx n LEU 22 N -1.32 1.32 0.00 -0.88 -0.00 -0.92 -2.04 117.00 113.15 2hmx n LEU 22 Ca 0.12 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2hmx n LEU 22 Cb 0.50 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2hmx n LEU 22 CO 0.44 -0.36 0.00 -2.11 -0.00 0.00 0.00 177.39 175.35 2hmx n ARG 23 N -3.85 0.00 -1.54 1.96 1.85 -1.26 -4.81 116.66 109.01 2hmx n ARG 23 Ca -0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.57 2hmx n ARG 23 Cb 0.33 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.63 2hmx n ARG 23 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2hmx n PRO 24 N 0.00 0.42 0.00 2.89 -0.02 -1.26 -1.96 135.00 135.06 2hmx n PRO 24 Ca 0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 2hmx n PRO 24 Cb 0.00 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 2hmx n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hmx n GLY 25 N 6.35 -1.31 0.00 -1.23 0.00 -1.26 -5.11 105.19 102.63 2hmx n GLY 25 Ca 0.53 0.49 0.00 0.00 0.00 0.00 0.00 46.02 47.04 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 0.00 -2.42 0.08 -0.02 0.00 -0.83 -4.98 105.19 97.02 2hmx n GLY 26 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 2hmx n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hmx n LYS 27 N 0.00 0.88 -0.64 1.61 0.00 -1.26 -5.06 118.16 113.69 2hmx n LYS 27 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2hmx n LYS 27 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.66 2hmx n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2hmx n LYS 28 N -2.86 0.00 -3.66 1.64 4.01 -1.26 -5.00 118.16 111.02 2hmx n LYS 28 Ca -0.29 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.39 2hmx n LYS 28 Cb 0.89 -0.78 -0.12 0.00 -0.51 0.00 0.00 35.03 34.52 2hmx n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2hmx s GLN 29 N -0.65 0.23 0.39 1.97 1.11 -1.26 -2.17 119.66 119.28 2hmx s GLN 29 Ca 0.00 0.88 -0.27 0.00 0.01 0.00 0.00 55.36 55.98 2hmx s GLN 29 Cb 0.00 0.13 -0.09 0.00 -1.01 0.00 0.00 33.01 32.03 2hmx s GLN 29 CO 0.00 -0.27 1.37 0.71 0.01 0.00 0.00 175.29 177.12 2hmx s TYR 30 N 2.49 2.73 0.36 0.91 1.51 0.21 -4.88 117.35 120.68 2hmx s TYR 30 Ca -0.00 1.32 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 2hmx s TYR 30 Cb -0.12 -3.81 0.04 0.00 -0.11 0.00 0.00 41.96 37.95 2hmx s TYR 30 CO -0.10 -2.44 0.68 0.21 -1.11 0.00 0.00 175.55 172.79 2hmx s LYS 31 N -2.16 2.08 0.20 -0.62 2.20 -1.26 -2.20 119.74 117.98 2hmx s LYS 31 Ca 0.55 -1.48 0.20 0.00 -0.36 0.00 0.00 55.97 54.88 2hmx s LYS 31 Cb -0.42 0.57 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2hmx s LYS 31 CO 0.55 -0.94 1.08 1.25 -0.36 0.00 0.00 175.35 176.93 2hmx h LEU 32 N 2.04 0.00 -1.09 5.43 5.85 -1.94 0.58 115.31 126.17 2hmx h LEU 32 Ca -0.30 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2hmx h LEU 32 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2hmx h LEU 32 CO 0.38 0.22 -0.15 0.11 -0.34 0.00 0.00 178.44 178.66 2hmx h LYS 33 N 0.00 0.00 0.00 1.25 1.57 -1.99 -2.16 116.57 115.24 2hmx h LYS 33 Ca -0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2hmx h LYS 33 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2hmx h LYS 33 CO 0.02 0.15 -1.13 1.25 -0.57 0.00 0.00 179.45 179.17 2hmx h HIS 34 N 0.00 0.00 -0.22 -1.35 2.76 -1.87 -1.64 115.15 112.83 2hmx h HIS 34 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2hmx h HIS 34 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 2hmx h HIS 34 CO 0.00 0.45 0.11 0.97 -1.30 0.00 0.00 177.93 178.15 2hmx h ILE 35 N 0.00 1.14 -0.12 6.26 2.10 0.21 -1.42 117.51 125.67 2hmx h ILE 35 Ca -0.10 -0.39 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 2hmx h ILE 35 Cb 1.43 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 38.15 2hmx h ILE 35 CO 0.04 0.13 0.01 0.58 -1.08 0.00 0.00 178.15 177.84 2hmx h VAL 36 N 0.23 1.07 0.68 2.19 2.07 -0.64 0.63 116.25 122.48 2hmx h VAL 36 Ca 0.08 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2hmx h VAL 36 Cb 0.12 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2hmx h VAL 36 CO -0.01 0.09 -0.36 -0.25 0.02 0.00 0.00 177.57 177.06 2hmx h TRP 37 N 0.16 -0.94 0.19 1.57 7.01 -1.14 -1.76 115.95 121.04 2hmx h TRP 37 Ca 0.04 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2hmx h TRP 37 Cb 0.10 0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 2hmx h TRP 37 CO 0.00 -0.56 -0.09 0.00 -2.79 0.00 0.00 178.44 175.00 2hmx h ALA 38 N -0.66 -1.05 -0.28 2.65 0.00 0.02 -1.25 119.26 118.69 2hmx h ALA 38 Ca -0.09 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2hmx h ALA 38 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2hmx h ALA 38 CO 0.13 -1.03 0.23 0.77 0.00 0.00 0.00 179.25 179.35 2hmx h SER 39 N -0.26 0.00 0.70 0.00 0.02 0.11 0.74 113.55 114.86 2hmx h SER 39 Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2hmx h SER 39 Cb 0.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2hmx h SER 39 CO 0.04 0.00 -0.34 0.03 -1.14 0.00 0.00 176.83 175.42 2hmx h ARG 40 N 0.00 -0.91 0.00 3.45 3.08 -1.34 -1.91 114.38 116.75 2hmx h ARG 40 Ca 0.13 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2hmx h ARG 40 Cb 0.59 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 2hmx h ARG 40 CO -0.00 -0.58 -0.06 1.49 -1.07 0.00 0.00 179.97 179.75 2hmx h GLU 41 N -1.13 0.00 0.23 0.04 4.57 0.16 -1.07 114.58 117.37 2hmx h GLU 41 Ca -0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2hmx h GLU 41 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2hmx h GLU 41 CO 0.16 0.06 -0.11 1.25 -1.18 0.00 0.00 179.01 179.19 2hmx h LEU 42 N 0.00 -0.26 -2.78 1.64 5.85 -0.77 0.37 115.31 119.36 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 0.12 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2hmx h LEU 42 CO 0.01 -0.17 0.04 -0.33 -0.34 0.00 0.00 178.44 177.65 2hmx h GLU 43 N -0.33 0.00 0.00 1.25 5.08 -0.44 0.87 114.58 121.01 2hmx h GLU 43 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hmx h GLU 43 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2hmx h GLU 43 CO 0.05 0.00 -1.04 2.89 -1.00 0.00 0.00 179.01 179.91 2hmx n ARG 44 N -3.21 0.17 0.39 2.33 1.85 -0.52 -1.26 116.66 116.42 2hmx n ARG 44 Ca -0.03 -0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.66 2hmx n ARG 44 Cb 0.12 -1.48 -0.07 0.00 -1.05 0.00 0.00 32.46 29.97 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 -0.92 0.00 2.89 0.04 0.22 -3.46 116.94 115.71 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 0.52 0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2hmx h PHE 45 CO 0.00 -0.57 0.00 0.00 -0.60 0.00 0.00 178.31 177.14 2hmx n ALA 46 N -2.55 0.35 -2.62 2.45 0.00 -0.84 -5.10 120.51 112.21 2hmx n ALA 46 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2hmx n ALA 46 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 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 1.45 0.08 0.00 1.01 -0.39 -5.00 120.40 117.55 2hmx s VAL 47 Ca 0.00 -2.00 0.09 0.00 0.00 0.00 0.00 61.98 60.07 2hmx s VAL 47 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2hmx s VAL 47 CO 0.00 0.00 -0.24 0.21 0.00 0.00 0.00 175.10 175.07 2hmx s ASN 48 N -3.70 3.39 -0.03 3.32 3.84 -1.26 -4.21 114.94 116.29 2hmx s ASN 48 Ca 0.26 -0.61 -0.21 0.00 0.21 0.00 0.00 52.86 52.51 2hmx s ASN 48 Cb 0.07 -0.35 -0.14 0.00 -0.55 0.00 0.00 41.25 40.28 2hmx s ASN 48 CO 0.13 0.23 0.94 1.55 -2.79 0.00 0.00 177.10 177.15 2hmx h PRO 49 N 4.38 -0.39 0.00 0.43 0.14 -1.92 -2.46 132.00 132.17 2hmx h PRO 49 Ca -0.48 0.03 -0.00 0.00 0.14 0.00 0.00 66.00 65.68 2hmx h PRO 49 Cb 1.15 0.09 -0.00 0.00 0.14 0.00 0.00 31.00 32.38 2hmx h PRO 49 CO 0.43 -0.06 -0.01 0.78 0.14 0.00 0.00 178.00 179.28 2hmx h GLY 50 N -0.93 0.00 1.00 1.56 0.00 -1.97 0.60 103.07 103.33 2hmx h GLY 50 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2hmx h GLY 50 CO 0.07 0.00 0.10 -2.00 0.00 0.00 0.00 176.54 174.71 2hmx h LEU 51 N 0.00 0.18 -0.37 3.11 6.46 -1.92 -0.43 115.31 122.34 2hmx h LEU 51 Ca -0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2hmx h LEU 51 Cb 0.02 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2hmx h LEU 51 CO 0.00 0.14 -0.29 0.00 -0.62 0.00 0.00 178.44 177.67 2hmx n LEU 52 N -4.98 0.87 0.06 2.25 -0.00 -0.42 -2.49 117.00 112.30 2hmx n LEU 52 Ca -0.04 -0.18 -0.07 0.00 -0.00 0.00 0.00 56.01 55.72 2hmx n LEU 52 Cb 0.03 -0.15 0.09 0.00 -0.00 0.00 0.00 43.42 43.39 2hmx n LEU 52 CO 0.34 0.17 0.46 -0.08 -0.00 0.00 0.00 177.39 178.28 2hmx h GLU 53 N 0.91 0.33 -7.46 1.47 4.81 0.18 -3.36 114.58 111.46 2hmx h GLU 53 Ca 0.00 -0.23 -0.49 0.00 -0.13 0.00 0.00 59.36 58.51 2hmx h GLU 53 Cb 0.49 0.03 0.09 0.00 0.63 0.00 0.00 28.75 30.00 2hmx h GLU 53 CO 0.00 0.84 0.39 0.95 -0.73 0.00 0.00 179.01 180.46 2hmx s THR 54 N -3.79 3.27 0.12 0.32 -4.23 -0.78 -4.92 115.64 105.62 2hmx s THR 54 Ca -0.05 0.41 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 2hmx s THR 54 Cb 0.12 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 2hmx s THR 54 CO 0.81 -0.54 1.71 0.28 -0.54 0.00 0.00 174.62 176.35 2hmx h SER 55 N -0.82 -0.14 -0.62 3.99 0.02 -1.83 -2.35 113.55 111.80 2hmx h SER 55 Ca -0.46 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2hmx h SER 55 Cb 1.26 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2hmx h SER 55 CO 0.63 -0.05 0.33 -0.08 -1.14 0.00 0.00 176.83 176.51 2hmx h GLU 56 N -0.01 0.91 0.06 3.45 4.22 -1.92 0.68 114.58 121.96 2hmx h GLU 56 Ca 0.07 -0.11 -0.27 0.00 0.08 0.00 0.00 59.36 59.12 2hmx h GLU 56 Cb 0.11 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2hmx h GLU 56 CO -0.14 0.69 -1.39 0.78 -2.18 0.00 0.00 179.01 176.76 2hmx h GLY 57 N 0.98 0.15 1.96 1.92 0.00 -1.54 0.33 103.07 106.87 2hmx h GLY 57 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2hmx h GLY 57 CO -0.03 0.33 0.02 0.00 0.00 0.00 0.00 176.54 176.85 2hmx n ARG 59 N -3.38 0.69 0.26 0.00 0.00 0.21 0.58 116.66 115.03 2hmx n ARG 59 Ca -0.03 0.27 0.12 0.00 -0.00 0.00 0.00 57.85 58.22 2hmx n ARG 59 Cb 0.09 -1.75 0.72 0.00 0.00 0.00 0.00 32.46 31.53 2hmx n ARG 59 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2hmx h GLN 60 N 0.03 0.00 0.00 -0.14 4.15 0.15 -2.09 115.11 117.21 2hmx h GLN 60 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2hmx h GLN 60 Cb 2.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.72 2hmx h GLN 60 CO 0.08 0.11 -0.13 0.82 -1.93 0.00 0.00 178.83 177.78 2hmx h ILE 61 N 0.00 0.00 0.00 2.39 1.08 -0.34 -2.39 117.51 118.25 2hmx h ILE 61 Ca -0.00 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2hmx h ILE 61 Cb 0.29 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 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 -0.84 0.00 0.00 1.44 5.85 0.12 0.98 115.31 122.86 2hmx h LEU 62 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2hmx h LEU 62 Cb 0.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2hmx h LEU 62 CO 0.00 0.00 -0.21 1.23 -0.34 0.00 0.00 178.44 179.12 2hmx h GLY 63 N 0.45 0.00 2.00 3.75 0.00 -1.49 -2.52 103.07 105.25 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 -1.61 0.00 0.00 0.00 176.54 174.93 2hmx h GLN 64 N -1.00 0.00 0.00 4.80 4.15 0.12 -3.26 115.11 119.92 2hmx h GLN 64 Ca -0.04 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.07 2hmx h GLN 64 Cb 0.59 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 2hmx h GLN 64 CO -0.03 0.00 -2.16 -0.11 -1.93 0.00 0.00 178.83 174.60 2hmx n LEU 65 N -2.45 0.88 0.09 -2.39 7.94 0.21 -2.97 117.00 118.32 2hmx n LEU 65 Ca -0.00 -0.03 -0.13 0.00 -1.11 0.00 0.00 56.01 54.73 2hmx n LEU 65 Cb 0.12 0.07 -0.08 0.00 0.53 0.00 0.00 43.42 44.06 2hmx n LEU 65 CO 0.16 0.54 0.81 -0.61 -1.11 0.00 0.00 177.39 177.18 2hmx h GLN 66 N 0.00 -0.14 -0.34 1.96 -0.00 -1.49 0.70 115.11 115.80 2hmx h GLN 66 Ca -0.46 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.27 2hmx h GLN 66 Cb 1.94 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 29.37 2hmx h GLN 66 CO -0.00 -0.05 -0.32 -1.35 0.00 0.00 0.00 178.83 177.10 2hmx h PRO 67 N -0.19 -0.27 0.00 -2.39 0.11 -1.77 -2.14 132.00 125.35 2hmx h PRO 67 Ca -0.01 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hmx h PRO 67 Cb 0.15 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2hmx h PRO 67 CO 0.02 -0.18 0.00 0.77 -0.21 0.00 0.00 178.00 178.40 2hmx h SER 68 N -0.28 0.00 0.16 -2.05 0.02 0.23 -1.68 113.55 109.94 2hmx h SER 68 Ca 0.15 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2hmx h SER 68 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2hmx h SER 68 CO -0.49 0.00 -0.39 -0.07 -1.14 0.00 0.00 176.83 174.74 2hmx h LEU 69 N 0.00 0.33 -1.53 5.07 3.38 0.66 0.83 115.31 124.04 2hmx h LEU 69 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2hmx h LEU 69 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hmx h LEU 69 CO 0.00 0.69 0.01 0.06 0.09 0.00 0.00 178.44 179.29 2hmx h GLN 70 N 0.26 0.00 0.00 1.13 3.07 -1.43 -2.22 115.11 115.92 2hmx h GLN 70 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 2hmx h GLN 70 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 2hmx h GLN 70 CO 0.06 0.00 -0.27 -2.37 0.09 0.00 0.00 178.83 176.35 2hmx n THR 71 N -2.31 0.00 0.00 1.86 5.66 -0.69 -4.92 114.28 113.88 2hmx n THR 71 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2hmx n THR 71 Cb 0.04 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 2hmx n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hmx n GLY 72 N 0.00 -0.19 0.00 1.09 0.00 0.28 -5.06 105.19 101.31 2hmx n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hmx n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hmx n SER 73 N -1.99 0.00 0.25 1.61 3.41 -1.23 -4.83 113.62 110.85 2hmx n SER 73 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 2hmx n SER 73 Cb 0.00 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.75 2hmx n SER 73 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2hmx h GLU 74 N 0.00 0.00 -0.11 4.33 4.11 -1.99 -1.47 114.58 119.45 2hmx h GLU 74 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 2hmx h GLU 74 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hmx h GLU 74 CO 0.00 0.00 -0.72 1.49 0.07 0.00 0.00 179.01 179.85 2hmx h GLU 75 N 0.00 0.54 -0.30 1.06 4.81 -1.97 -1.26 114.58 117.46 2hmx h GLU 75 Ca 0.00 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 2hmx h GLU 75 Cb 0.25 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2hmx h GLU 75 CO 0.00 1.05 -0.27 1.25 -0.73 0.00 0.00 179.01 180.31 2hmx h LEU 76 N 0.37 0.61 -1.85 1.64 6.46 -1.63 -2.23 115.31 118.68 2hmx h LEU 76 Ca -0.03 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2hmx h LEU 76 Cb 1.31 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2hmx h LEU 76 CO 0.13 0.86 -0.01 -0.09 -0.62 0.00 0.00 178.44 178.71 2hmx h ARG 77 N 0.52 0.07 0.03 1.25 1.12 -0.32 0.72 114.38 117.78 2hmx h ARG 77 Ca 0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 2hmx h ARG 77 Cb 0.74 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2hmx h ARG 77 CO 0.06 0.09 -0.03 1.03 -3.11 0.00 0.00 179.97 178.02 2hmx h SER 78 N 0.07 -0.07 0.54 -3.80 0.87 -0.92 -2.28 113.55 107.96 2hmx h SER 78 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2hmx h SER 78 Cb 0.08 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2hmx h SER 78 CO 0.00 -0.04 0.00 0.25 -0.53 0.00 0.00 176.83 176.51 2hmx h LEU 79 N -0.07 0.00 0.00 2.23 5.85 0.60 0.81 115.31 124.73 2hmx h LEU 79 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2hmx h LEU 79 Cb 0.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2hmx h LEU 79 CO -0.00 0.00 -1.35 0.22 -0.34 0.00 0.00 178.44 176.96 2hmx h TYR 80 N 0.00 0.00 0.10 1.25 3.20 0.58 -2.14 116.97 119.96 2hmx h TYR 80 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 2hmx h TYR 80 Cb 0.27 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2hmx h TYR 80 CO 0.00 0.65 -1.23 -2.95 -1.64 0.00 0.00 178.16 172.98 2hmx h ASN 81 N 0.00 0.35 1.06 -2.11 7.08 0.12 0.87 115.58 122.93 2hmx h ASN 81 Ca -0.16 -0.38 -0.20 0.00 -3.08 0.00 0.00 56.30 52.48 2hmx h ASN 81 Cb 1.63 -0.11 -0.03 0.00 -2.08 0.00 0.00 38.32 37.73 2hmx h ASN 81 CO 0.06 1.30 -0.94 0.71 -2.08 0.00 0.00 177.43 176.47 2hmx h THR 82 N 0.06 1.62 -0.00 6.14 1.35 -1.39 -2.26 112.91 118.44 2hmx h THR 82 Ca -0.12 -3.29 -0.06 0.00 -0.55 0.00 0.00 66.41 62.38 2hmx h THR 82 Cb 1.94 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 71.17 2hmx h THR 82 CO 0.19 0.92 -0.24 0.40 -0.25 0.00 0.00 175.52 176.54 2hmx h ILE 83 N 0.00 1.55 -0.80 6.82 1.08 -1.21 0.56 117.51 125.51 2hmx h ILE 83 Ca -0.01 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.49 2hmx h ILE 83 Cb 1.73 2.78 -0.04 0.00 -3.07 0.00 0.00 36.82 38.21 2hmx h ILE 83 CO 0.12 0.53 0.37 0.00 -0.69 0.00 0.00 178.15 178.49 2hmx h ALA 84 N 0.25 1.15 0.88 1.87 0.00 -0.84 0.59 119.26 123.16 2hmx h ALA 84 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2hmx h ALA 84 Cb 1.00 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hmx h ALA 84 CO 0.05 0.64 -0.42 0.28 0.00 0.00 0.00 179.25 179.79 2hmx h VAL 85 N 1.14 0.04 0.00 0.00 2.07 -1.31 0.53 116.25 118.73 2hmx h VAL 85 Ca 0.27 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2hmx h VAL 85 Cb 0.13 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2hmx h VAL 85 CO -0.03 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.81 2hmx h LEU 86 N -1.28 0.00 0.04 2.57 5.85 0.66 0.98 115.31 124.12 2hmx h LEU 86 Ca -0.12 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 2hmx h LEU 86 Cb 0.91 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.96 2hmx h LEU 86 CO 0.20 0.00 -0.75 0.22 -0.34 0.00 0.00 178.44 177.77 2hmx h TYR 87 N 0.00 0.68 -0.57 1.25 5.03 0.14 0.66 116.97 124.15 2hmx h TYR 87 Ca 0.00 -0.40 0.08 0.00 2.58 0.00 0.00 58.73 60.99 2hmx h TYR 87 Cb 0.06 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 2hmx h TYR 87 CO 0.00 1.24 0.38 0.00 -1.32 0.00 0.00 178.16 178.46 2hmx h VAL 89 N 0.46 1.12 0.00 0.00 2.07 0.35 0.24 116.25 120.50 2hmx h VAL 89 Ca 0.26 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.39 2hmx h VAL 89 Cb 0.41 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2hmx h VAL 89 CO -0.07 0.64 -0.06 0.45 0.02 0.00 0.00 177.57 178.55 2hmx h HIS 90 N -0.47 0.00 0.14 1.57 3.86 -0.61 -0.02 115.15 119.62 2hmx h HIS 90 Ca -0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2hmx h HIS 90 Cb 1.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.09 2hmx h HIS 90 CO 0.14 0.06 -0.07 1.96 0.86 0.00 0.00 177.93 180.88 2hmx h GLN 91 N 0.00 -0.18 0.00 2.45 7.50 -1.40 -3.46 115.11 120.02 2hmx h GLN 91 Ca -0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2hmx h GLN 91 Cb 0.18 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.75 2hmx h GLN 91 CO 0.01 -0.12 0.00 -2.13 -1.50 0.00 0.00 178.83 175.09 2hmx n ARG 92 N -3.06 0.00 -1.89 1.46 0.63 -0.02 -5.13 116.66 108.64 2hmx n ARG 92 Ca -0.02 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 2hmx n ARG 92 Cb 0.07 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.96 2hmx n ARG 92 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2hmx s ILE 93 N 0.00 2.40 0.17 5.15 1.09 0.06 -4.94 121.20 125.12 2hmx s ILE 93 Ca 0.00 0.32 0.11 0.00 -1.10 0.00 0.00 60.65 59.98 2hmx s ILE 93 Cb 0.00 -3.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.15 2hmx s ILE 93 CO 0.00 0.04 -0.23 -1.81 -0.10 0.00 0.00 174.94 172.84 2hmx s ASP 94 N 0.66 3.50 0.32 3.58 1.01 -1.26 -2.94 116.67 121.54 2hmx s ASP 94 Ca 0.64 -0.79 0.04 0.00 0.71 0.00 0.00 52.55 53.16 2hmx s ASP 94 Cb -0.45 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 2hmx s ASP 94 CO 0.41 0.14 0.17 0.68 0.21 0.00 0.00 175.17 176.78 2hmx s VAL 95 N -1.45 0.33 0.00 -1.27 -7.23 -1.26 -5.04 120.40 104.48 2hmx s VAL 95 Ca 0.19 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2hmx s VAL 95 Cb -0.09 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2hmx s VAL 95 CO 0.09 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.17 2hmx n LYS 96 N -0.62 1.66 -4.31 4.82 2.85 -1.26 -4.87 118.16 116.42 2hmx n LYS 96 Ca 0.01 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.09 2hmx n LYS 96 Cb 0.65 -0.99 -0.09 0.00 -0.65 0.00 0.00 35.03 33.95 2hmx n LYS 96 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2hmx s ASP 97 N -3.53 1.31 0.03 -5.58 1.47 -1.26 0.59 116.67 109.70 2hmx s ASP 97 Ca 0.00 -1.51 -0.16 0.00 1.18 0.00 0.00 52.55 52.05 2hmx s ASP 97 Cb 0.00 0.35 -0.09 0.00 -0.34 0.00 0.00 42.92 42.84 2hmx s ASP 97 CO 0.00 -0.86 1.25 0.74 0.68 0.00 0.00 175.17 176.97 2hmx h THR 98 N 2.29 0.00 0.00 2.11 2.02 -1.68 -2.22 112.91 115.43 2hmx h THR 98 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2hmx h THR 98 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2hmx h THR 98 CO 0.53 0.00 0.01 2.29 0.37 0.00 0.00 175.52 178.71 2hmx n LYS 99 N -3.60 0.06 -0.08 6.66 2.85 -1.26 0.63 118.16 123.43 2hmx n LYS 99 Ca -0.07 0.56 -0.17 0.00 -1.05 0.00 0.00 58.31 57.59 2hmx n LYS 99 Cb 0.23 -1.72 -0.13 0.00 -0.65 0.00 0.00 35.03 32.75 2hmx n LYS 99 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2hmx n GLU 100 N -1.85 0.68 0.47 -1.58 -0.00 -1.13 -0.63 120.64 116.60 2hmx n GLU 100 Ca -0.01 0.17 -0.19 0.00 -0.00 0.00 0.00 57.16 57.13 2hmx n GLU 100 Cb 0.02 -1.60 -0.09 0.00 -0.00 0.00 0.00 31.44 29.77 2hmx n GLU 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hmx h ALA 101 N 0.30 -1.21 0.00 -1.84 0.00 -0.04 -1.64 119.26 114.83 2hmx h ALA 101 Ca -0.50 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2hmx h ALA 101 Cb 2.01 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2hmx h ALA 101 CO -0.00 -1.14 0.00 1.25 0.00 0.00 0.00 179.25 179.36 2hmx h LEU 102 N -1.30 0.00 0.00 0.00 5.85 0.14 0.93 115.31 120.93 2hmx h LEU 102 Ca -0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2hmx h LEU 102 Cb 0.93 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2hmx h LEU 102 CO 0.20 0.00 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.43 2hmx h ASP 103 N 0.00 0.00 0.04 1.25 3.58 -0.83 0.57 116.42 121.03 2hmx h ASP 103 Ca 0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2hmx h ASP 103 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2hmx h ASP 103 CO 0.00 0.78 0.00 1.17 -2.88 0.00 0.00 179.24 178.31 2hmx n LYS 104 N -4.68 0.01 -0.09 0.28 0.00 0.28 0.60 118.16 114.57 2hmx n LYS 104 Ca -0.06 0.36 -0.12 0.00 0.00 0.00 0.00 58.31 58.49 2hmx n LYS 104 Cb 0.26 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.71 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 -1.38 0.97 0.10 3.15 2.08 0.13 -1.43 119.36 122.97 2hmx n ILE 105 Ca 0.01 -0.36 -0.13 0.00 0.56 0.00 0.00 62.75 62.82 2hmx n ILE 105 Cb 0.02 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.68 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 -0.05 -0.16 -0.17 0.38 4.57 0.14 -2.21 114.58 117.07 2hmx h GLU 106 Ca -0.38 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2hmx h GLU 106 Cb 1.57 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.19 2hmx h GLU 106 CO -0.08 -0.08 0.05 1.49 -1.18 0.00 0.00 179.01 179.22 2hmx h GLU 107 N -0.21 0.24 0.00 1.92 4.81 -0.02 -3.46 114.58 117.87 2hmx h GLU 107 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2hmx h GLU 107 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2hmx h GLU 107 CO 0.03 0.22 0.00 -0.85 -0.73 0.00 0.00 179.01 177.68 2hmx n GLU 108 N -4.44 0.00 -1.36 1.92 0.28 -0.84 -5.05 120.64 111.15 2hmx n GLU 108 Ca -0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.17 2hmx n GLU 108 Cb 0.13 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.94 2hmx n GLU 108 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2hmx n GLN 109 N -1.03 -2.82 -0.63 3.44 -0.06 -0.51 -4.82 117.38 110.95 2hmx n GLN 109 Ca 0.00 2.02 -0.30 0.00 -2.00 0.00 0.00 57.00 56.73 2hmx n GLN 109 Cb 0.00 -3.42 0.21 0.00 -4.06 0.00 0.00 30.24 22.97 2hmx n GLN 109 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2hmx s ASN 110 N -6.80 2.01 0.45 1.69 2.47 -1.26 -4.71 114.94 108.79 2hmx s ASN 110 Ca 0.00 1.89 0.00 0.00 0.42 0.00 0.00 52.86 55.17 2hmx s ASN 110 Cb 0.00 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2hmx s ASN 110 CO 0.00 -3.62 0.00 1.17 -3.72 0.00 0.00 177.10 170.93 2hmx n LYS 111 N -4.56 -2.92 -0.04 0.43 0.00 -1.26 -4.98 118.16 104.84 2hmx n LYS 111 Ca 0.08 2.30 -0.02 0.00 0.00 0.00 0.00 58.31 60.67 2hmx n LYS 111 Cb 0.53 -2.98 0.02 0.00 0.00 0.00 0.00 35.03 32.59 2hmx n LYS 111 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2hmx n SER 112 N -2.77 -1.54 0.03 3.14 7.64 -1.26 -5.02 113.62 113.84 2hmx n SER 112 Ca -0.02 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2hmx n SER 112 Cb 0.41 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2hmx n SER 112 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2hmx n LYS 113 N -1.92 0.00 -0.64 1.43 4.81 -1.26 -4.82 118.16 115.75 2hmx n LYS 113 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 2hmx n LYS 113 Cb 0.03 -0.36 0.28 0.00 0.02 0.00 0.00 35.03 35.01 2hmx n LYS 113 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2hmx n LYS 114 N -3.14 3.69 0.00 1.64 2.85 -1.26 -4.95 118.16 116.99 2hmx n LYS 114 Ca 0.00 -2.22 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 2hmx n LYS 114 Cb 0.20 -2.04 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 2hmx n LYS 114 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2hmx n LYS 115 N 0.40 0.00 0.00 -1.58 4.01 -1.26 -4.32 118.16 115.41 2hmx n LYS 115 Ca 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 2hmx n LYS 115 Cb 0.94 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.46 2hmx n LYS 115 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hmx n ALA 116 N 0.67 0.00 -0.45 7.82 0.00 -1.26 -5.04 120.51 122.24 2hmx n ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hmx n ALA 116 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.48 0.00 0.00 0.00 0.00 -1.26 -4.96 117.38 109.68 2hmx n GLN 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2hmx n GLN 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2hmx n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hmx n GLN 118 N 0.00 0.00 -1.44 3.69 0.00 -1.26 -4.75 117.38 113.62 2hmx n GLN 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 56.85 2hmx n GLN 118 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 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 0.63 -0.23 -3.97 2.61 0.00 -1.26 -4.75 120.51 113.54 2hmx n ALA 119 Ca 0.00 0.25 0.16 0.00 0.00 0.00 0.00 53.44 53.85 2hmx n ALA 119 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 19.45 17.62 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 1.28 -3.42 0.00 0.00 0.00 -1.26 -5.07 120.51 112.04 2hmx n ALA 120 Ca -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2hmx n ALA 120 Cb 0.61 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.96 0.00 -0.24 0.00 0.00 -1.26 -5.05 120.51 113.01 2hmx n ALA 121 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2hmx n ALA 121 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2hmx n ALA 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hmx n ASP 122 N -0.92 0.00 -0.79 0.00 2.03 -1.26 -5.17 116.55 110.45 2hmx n ASP 122 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2hmx n ASP 122 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2hmx n ASP 122 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hmx n THR 123 N -2.14 -0.86 -3.13 5.18 -1.04 -1.26 -4.79 114.28 106.24 2hmx n THR 123 Ca 0.00 0.60 -0.43 0.00 -2.04 0.00 0.00 64.05 62.18 2hmx n THR 123 Cb 0.00 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 67.50 2hmx n THR 123 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2hmx s GLY 124 N -5.22 1.73 -0.43 3.41 0.00 -1.26 -4.95 107.32 100.61 2hmx s GLY 124 Ca 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 44.72 43.52 2hmx s GLY 124 CO 0.00 1.49 0.51 -2.01 0.00 0.00 0.00 173.10 173.09 2hmx n ASN 125 N 6.20 0.48 -3.65 1.64 5.15 -1.26 -5.09 115.26 118.73 2hmx n ASN 125 Ca -0.02 -2.72 -0.08 0.00 -0.60 0.00 0.00 54.58 51.16 2hmx n ASN 125 Cb 0.48 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 39.02 2hmx n ASN 125 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2hmx s ASN 126 N -1.07 -0.85 -0.17 1.20 4.22 -1.26 -5.08 114.94 111.92 2hmx s ASN 126 Ca 0.35 1.37 -0.12 0.00 -2.14 0.00 0.00 52.86 52.32 2hmx s ASN 126 Cb 0.14 1.26 0.05 0.00 1.28 0.00 0.00 41.25 43.97 2hmx s ASN 126 CO -0.12 -0.23 0.24 -0.24 -2.04 0.00 0.00 177.10 174.71 2hmx n SER 127 N 4.33 -0.52 -4.65 3.54 2.88 -1.26 -5.05 113.62 112.89 2hmx n SER 127 Ca -0.21 1.30 -0.26 0.00 -1.33 0.00 0.00 58.87 58.37 2hmx n SER 127 Cb 0.58 -5.09 -0.08 0.00 -0.75 0.00 0.00 64.21 58.87 2hmx n SER 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hmx s GLN 128 N -0.69 2.36 0.00 -1.46 0.00 -1.26 -4.95 119.66 113.66 2hmx s GLN 128 Ca -0.28 -1.15 0.00 0.00 -0.00 0.00 0.00 55.36 53.94 2hmx s GLN 128 Cb 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 33.01 30.71 2hmx s GLN 128 CO 0.75 0.45 0.00 1.55 0.00 0.00 0.00 175.29 178.03 2hmx n VAL 129 N -0.17 0.00 -1.52 3.63 3.14 -1.26 -5.00 118.33 117.16 2hmx n VAL 129 Ca -0.10 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.11 2hmx n VAL 129 Cb 0.55 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.26 2hmx n VAL 129 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2hmx n SER 130 N -0.90 -5.37 0.00 6.55 7.64 -1.26 -4.49 113.62 115.79 2hmx n SER 130 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2hmx n SER 130 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 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 -2.19 0.00 -0.04 1.43 3.00 -1.26 -2.45 117.38 115.87 2hmx n GLN 131 Ca -0.18 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.74 2hmx n GLN 131 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.83 2hmx n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2hmx n ASN 132 N 2.68 1.39 0.00 1.08 3.02 -1.26 -5.30 115.26 116.87 2hmx n ASN 132 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2hmx n ASN 132 Cb 0.00 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2hmx n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64