#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 0.44 -0.09 -0.41 0.00 -1.26 -5.01 119.30 112.96 2hmx s MET 2 Ca 0.00 1.14 -0.27 0.00 0.00 0.00 0.00 55.69 56.55 2hmx s MET 2 Cb 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 34.83 35.01 2hmx s MET 2 CO 0.00 -0.22 0.95 0.78 0.00 0.00 0.00 175.02 176.54 2hmx h GLY 3 N 7.88 0.04 -4.95 3.16 0.00 -2.02 -3.49 103.07 103.69 2hmx h GLY 3 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2hmx h GLY 3 CO 0.14 0.07 -0.82 0.00 0.00 0.00 0.00 176.54 175.93 2hmx n ALA 4 N -2.53 -3.37 -3.00 3.60 0.00 -1.26 -4.91 120.51 109.05 2hmx n ALA 4 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2hmx n ALA 4 Cb 0.43 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.47 0.00 0.00 0.00 1.74 -1.26 -4.64 116.66 112.96 2hmx n ARG 5 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2hmx n ARG 5 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 2hmx n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hmx n ALA 6 N -3.00 0.00 -1.00 7.54 0.00 -1.26 -4.84 120.51 117.95 2hmx n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hmx n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.35 0.00 0.42 0.00 2.88 -1.26 -4.92 113.62 112.09 2hmx n SER 7 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 2hmx n SER 7 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 -0.71 0.05 -4.85 2.46 2.07 -1.90 -3.47 116.25 109.90 2hmx h VAL 8 Ca 0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 2hmx h VAL 8 Cb 0.00 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2hmx h VAL 8 CO 0.00 0.00 -0.12 0.18 0.02 0.00 0.00 177.57 177.65 2hmx n LEU 9 N -5.61 0.00 -4.83 2.57 4.77 -1.26 -4.72 117.00 107.91 2hmx n LEU 9 Ca -0.15 -1.29 -0.24 0.00 -0.03 0.00 0.00 56.01 54.31 2hmx n LEU 9 Cb 0.49 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2hmx n LEU 9 CO 0.35 -0.41 -0.17 -0.94 -1.33 0.00 0.00 177.39 174.88 2hmx s SER 10 N -2.47 5.64 0.26 -1.43 1.04 -1.26 -4.23 113.70 111.26 2hmx s SER 10 Ca 0.15 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 2hmx s SER 10 Cb -0.01 -1.49 0.33 0.00 0.10 0.00 0.00 66.02 64.95 2hmx s SER 10 CO 0.09 0.01 1.84 1.23 0.98 0.00 0.00 173.24 177.39 2hmx h GLY 11 N 1.86 1.07 0.96 7.32 0.00 -1.91 0.97 103.07 113.35 2hmx h GLY 11 Ca -0.48 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.28 2hmx h GLY 11 CO 0.62 0.53 -0.08 -1.33 0.00 0.00 0.00 176.54 176.28 2hmx h GLY 12 N 1.06 -0.23 1.54 4.60 0.00 -1.94 -1.93 103.07 106.16 2hmx h GLY 12 Ca 0.23 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.65 2hmx h GLY 12 CO -0.02 -0.08 0.31 0.83 0.00 0.00 0.00 176.54 177.57 2hmx h GLU 13 N -0.26 0.60 -0.74 4.80 5.08 0.24 -0.60 114.58 123.70 2hmx h GLU 13 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2hmx h GLU 13 Cb 0.20 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2hmx h GLU 13 CO 0.04 0.39 0.43 -0.07 -1.00 0.00 0.00 179.01 178.80 2hmx h LEU 14 N 0.61 0.91 -1.17 1.33 -0.00 0.96 0.75 115.31 118.70 2hmx h LEU 14 Ca 0.17 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.90 2hmx h LEU 14 Cb -0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.36 2hmx h LEU 14 CO -0.04 0.72 -0.36 0.44 -0.00 0.00 0.00 178.44 179.21 2hmx h ASP 15 N 1.02 0.00 1.25 -0.43 5.19 -0.68 0.64 116.42 123.42 2hmx h ASP 15 Ca 0.26 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.62 2hmx h ASP 15 Cb -0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2hmx h ASP 15 CO -0.05 0.36 -0.26 0.11 -3.12 0.00 0.00 179.24 176.28 2hmx h LYS 16 N 0.00 0.00 0.00 3.56 6.56 0.81 -3.33 116.57 124.17 2hmx h LYS 16 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2hmx h LYS 16 Cb 0.76 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 2hmx h LYS 16 CO 0.05 0.26 -0.09 2.35 -2.06 0.00 0.00 179.45 179.96 2hmx h TRP 17 N 0.00 0.00 0.00 -1.35 2.91 0.58 -3.42 115.95 114.67 2hmx h TRP 17 Ca -0.00 0.00 -0.20 0.00 1.13 0.00 0.00 58.89 59.82 2hmx h TRP 17 Cb 0.96 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.57 2hmx h TRP 17 CO 0.00 0.23 0.37 -1.91 -1.03 0.00 0.00 178.44 176.09 2hmx n GLU 18 N -4.72 1.71 0.00 2.65 2.13 0.26 -2.31 120.64 120.35 2hmx n GLU 18 Ca -0.04 -0.92 0.00 0.00 0.66 0.00 0.00 57.16 56.87 2hmx n GLU 18 Cb 0.14 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 2.84 0.00 -2.14 5.31 4.76 -0.07 -4.79 118.16 124.07 2hmx n LYS 19 Ca 0.37 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.54 2hmx n LYS 19 Cb 0.61 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.90 2hmx n LYS 19 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2hmx s ILE 20 N 0.00 2.15 0.22 -0.18 1.09 -0.97 -4.87 121.20 118.65 2hmx s ILE 20 Ca 0.00 -0.20 0.10 0.00 -1.10 0.00 0.00 60.65 59.44 2hmx s ILE 20 Cb 0.00 -2.95 -0.05 0.00 -1.06 0.00 0.00 42.46 38.40 2hmx s ILE 20 CO 0.00 0.00 -0.18 -0.60 -0.10 0.00 0.00 174.94 174.06 2hmx s ARG 21 N -5.42 1.45 0.00 2.79 3.52 0.20 -1.31 118.95 120.17 2hmx s ARG 21 Ca 0.64 -1.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 2hmx s ARG 21 Cb -0.09 -1.42 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 2hmx s ARG 21 CO 0.47 0.26 0.00 1.47 -0.81 0.00 0.00 175.30 176.69 2hmx n LEU 22 N -0.32 0.00 -4.33 -0.88 -0.00 -0.81 -0.56 117.00 110.10 2hmx n LEU 22 Ca -0.08 0.00 -0.46 0.00 -0.00 0.00 0.00 56.01 55.47 2hmx n LEU 22 Cb 0.59 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.97 2hmx n LEU 22 CO 0.35 0.00 0.28 0.00 -0.00 0.00 0.00 177.39 178.02 2hmx s ARG 23 N 1.04 3.14 -0.92 1.47 1.70 -1.26 -4.49 118.95 119.62 2hmx s ARG 23 Ca 0.00 -1.77 -0.16 0.00 -0.47 0.00 0.00 55.73 53.32 2hmx s ARG 23 Cb 0.00 -4.34 -0.26 0.00 -0.57 0.00 0.00 34.95 29.78 2hmx s ARG 23 CO 0.00 -1.38 2.28 -0.35 -1.08 0.00 0.00 175.30 174.76 2hmx n PRO 24 N 5.28 0.20 0.00 3.89 -0.04 -1.26 -1.43 135.00 141.64 2hmx n PRO 24 Ca -0.06 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2hmx n PRO 24 Cb 0.42 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2hmx n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hmx n GLY 25 N 5.97 -0.44 2.69 0.55 0.00 -1.26 -5.03 105.19 107.67 2hmx n GLY 25 Ca 0.61 0.32 -0.27 0.00 0.00 0.00 0.00 46.02 46.68 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 5.83 4.65 -0.02 0.00 -0.51 -4.93 105.19 110.20 2hmx n GLY 26 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.37 0.00 -3.03 1.61 3.00 -1.26 -4.81 118.16 113.30 2hmx n LYS 27 Ca 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.55 2hmx n LYS 27 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.58 2hmx n LYS 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2hmx n LYS 28 N 0.00 -2.07 -3.66 1.64 0.00 -1.26 -4.86 118.16 107.95 2hmx n LYS 28 Ca 0.00 1.84 -0.09 0.00 -0.00 0.00 0.00 58.31 60.07 2hmx n LYS 28 Cb 0.00 -5.05 -0.10 0.00 -0.00 0.00 0.00 35.03 29.88 2hmx n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2hmx s GLN 29 N -2.77 0.33 0.46 -1.58 1.11 -1.26 -1.93 119.66 114.01 2hmx s GLN 29 Ca 0.21 1.03 -0.24 0.00 0.01 0.00 0.00 55.36 56.36 2hmx s GLN 29 Cb -0.05 0.32 -0.07 0.00 -1.01 0.00 0.00 33.01 32.20 2hmx s GLN 29 CO 0.79 -0.25 1.33 0.71 0.01 0.00 0.00 175.29 177.88 2hmx s TYR 30 N 2.55 2.61 0.40 0.91 1.51 -0.43 -4.87 117.35 120.04 2hmx s TYR 30 Ca -0.02 1.38 0.04 0.00 -1.01 0.00 0.00 57.07 57.47 2hmx s TYR 30 Cb -0.12 -3.72 -0.02 0.00 -0.11 0.00 0.00 41.96 37.99 2hmx s TYR 30 CO -0.13 -2.40 0.16 0.15 -1.11 0.00 0.00 175.55 172.22 2hmx s LYS 31 N -2.52 1.92 -0.08 -0.62 3.01 -1.26 -0.89 119.74 119.30 2hmx s LYS 31 Ca 0.62 -2.17 0.21 0.00 -1.01 0.00 0.00 55.97 53.62 2hmx s LYS 31 Cb -0.39 -0.46 -0.31 0.00 -1.01 0.00 0.00 37.83 35.66 2hmx s LYS 31 CO 0.48 -0.52 0.36 -0.11 0.51 0.00 0.00 175.35 176.07 2hmx n LEU 32 N -0.88 0.00 0.00 3.17 7.94 -1.26 -0.51 117.00 125.46 2hmx n LEU 32 Ca -0.04 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.89 2hmx n LEU 32 Cb 0.64 0.14 0.14 0.00 0.53 0.00 0.00 43.42 44.87 2hmx n LEU 32 CO 0.35 0.14 0.60 1.17 -1.11 0.00 0.00 177.39 178.54 2hmx n LYS 33 N -2.39 0.00 -0.00 1.96 0.00 -1.26 -2.00 118.16 114.46 2hmx n LYS 33 Ca -0.12 0.40 0.05 0.00 0.00 0.00 0.00 58.31 58.64 2hmx n LYS 33 Cb 0.73 -1.51 -0.08 0.00 0.00 0.00 0.00 35.03 34.17 2hmx n LYS 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2hmx n HIS 34 N -1.52 0.00 -0.21 5.64 -0.00 -0.97 -1.90 115.22 116.26 2hmx n HIS 34 Ca 0.01 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.13 2hmx n HIS 34 Cb 0.07 -0.22 0.03 0.00 -0.12 0.00 0.00 29.99 29.75 2hmx n HIS 34 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 2hmx h ILE 35 N 0.00 1.19 -0.29 3.57 2.10 -0.70 -0.96 117.51 122.42 2hmx h ILE 35 Ca 0.00 -0.49 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 2hmx h ILE 35 Cb 0.45 0.43 -0.02 0.00 -1.09 0.00 0.00 36.82 36.60 2hmx h ILE 35 CO 0.00 0.21 -0.08 0.58 -1.08 0.00 0.00 178.15 177.78 2hmx h VAL 36 N 0.81 1.21 0.49 2.19 2.07 -1.01 0.62 116.25 122.63 2hmx h VAL 36 Ca 0.21 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2hmx h VAL 36 Cb 0.05 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2hmx h VAL 36 CO -0.03 0.29 -0.25 -0.25 0.02 0.00 0.00 177.57 177.35 2hmx h TRP 37 N 0.44 -0.65 0.58 1.57 7.01 -1.27 0.79 115.95 124.42 2hmx h TRP 37 Ca 0.09 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 2hmx h TRP 37 Cb 0.41 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 2hmx h TRP 37 CO 0.01 -0.40 -0.30 0.00 -2.79 0.00 0.00 178.44 174.96 2hmx h ALA 38 N -0.17 -1.20 -0.03 2.65 0.00 0.35 0.12 119.26 120.99 2hmx h ALA 38 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2hmx h ALA 38 Cb 0.53 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2hmx h ALA 38 CO 0.10 -1.15 0.04 1.03 0.00 0.00 0.00 179.25 179.27 2hmx h SER 39 N -0.81 0.00 0.78 0.00 0.87 0.10 0.60 113.55 115.08 2hmx h SER 39 Ca -0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2hmx h SER 39 Cb 0.63 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2hmx h SER 39 CO 0.12 0.00 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.95 2hmx h ARG 40 N 0.00 -1.00 -0.19 2.24 2.43 -0.72 -2.48 114.38 114.66 2hmx h ARG 40 Ca 0.02 0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2hmx h ARG 40 Cb 0.09 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2hmx h ARG 40 CO -0.00 -0.67 0.10 1.49 -1.51 0.00 0.00 179.97 179.38 2hmx h GLU 41 N -1.14 0.25 0.19 0.20 4.22 0.29 -1.61 114.58 116.98 2hmx h GLU 41 Ca -0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 2hmx h GLU 41 Cb 0.80 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2hmx h GLU 41 CO 0.18 0.19 -0.09 1.25 -2.18 0.00 0.00 179.01 178.36 2hmx h LEU 42 N 0.26 -0.22 -2.45 1.64 5.85 -1.10 0.25 115.31 119.54 2hmx h LEU 42 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2hmx h LEU 42 Cb 0.02 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2hmx h LEU 42 CO -0.01 -0.15 0.04 1.05 -0.34 0.00 0.00 178.44 179.03 2hmx h GLU 43 N -0.27 0.00 0.00 1.25 -0.00 -1.17 0.18 114.58 114.57 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.95 2hmx h GLU 43 CO 0.04 0.00 -1.28 -2.13 -0.00 0.00 0.00 179.01 175.64 2hmx n ARG 44 N -2.82 0.26 0.30 1.06 3.00 -0.63 -1.54 116.66 116.28 2hmx n ARG 44 Ca -0.02 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.85 57.65 2hmx n ARG 44 Cb 0.09 -1.53 -0.06 0.00 0.00 0.00 0.00 32.46 30.97 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 0.00 -0.71 0.00 -0.14 -1.00 0.25 -3.46 116.94 111.89 2hmx h PHE 45 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2hmx h PHE 45 Cb 0.70 0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2hmx h PHE 45 CO 0.00 -0.44 0.00 0.00 -1.61 0.00 0.00 178.31 176.26 2hmx n ALA 46 N -2.43 0.46 -2.42 2.45 0.00 -0.87 -5.10 120.51 112.60 2hmx n ALA 46 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 2hmx n ALA 46 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 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 0.95 -0.07 0.00 1.01 -0.59 -5.00 120.40 116.69 2hmx s VAL 47 Ca 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 60.04 2hmx s VAL 47 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2hmx s VAL 47 CO 0.00 0.00 -0.25 0.21 0.00 0.00 0.00 175.10 175.06 2hmx s ASN 48 N -3.45 3.08 0.00 3.32 3.84 -1.26 -4.18 114.94 116.29 2hmx s ASN 48 Ca 0.36 -0.52 -0.23 0.00 0.21 0.00 0.00 52.86 52.67 2hmx s ASN 48 Cb 0.08 -0.99 -0.18 0.00 -0.55 0.00 0.00 41.25 39.61 2hmx s ASN 48 CO 0.15 0.22 1.28 1.55 -2.79 0.00 0.00 177.10 177.51 2hmx h PRO 49 N 6.22 0.19 -0.65 0.43 0.13 -1.91 0.93 132.00 137.34 2hmx h PRO 49 Ca -0.29 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2hmx h PRO 49 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2hmx h PRO 49 CO 0.47 0.66 0.43 0.78 -0.23 0.00 0.00 178.00 180.11 2hmx h GLY 50 N -0.26 0.87 1.02 1.56 0.00 -1.97 0.47 103.07 104.76 2hmx h GLY 50 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2hmx h GLY 50 CO 0.02 0.25 0.48 -2.00 0.00 0.00 0.00 176.54 175.29 2hmx h LEU 51 N 0.75 1.02 0.00 3.11 6.46 -1.84 0.41 115.31 125.22 2hmx h LEU 51 Ca 0.27 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2hmx h LEU 51 Cb 0.12 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2hmx h LEU 51 CO -0.08 0.81 -0.22 -0.11 -0.62 0.00 0.00 178.44 178.22 2hmx n LEU 52 N -4.42 0.55 -0.03 2.25 -0.00 0.29 -2.42 117.00 113.22 2hmx n LEU 52 Ca 0.08 0.39 -0.10 0.00 -0.00 0.00 0.00 56.01 56.39 2hmx n LEU 52 Cb 0.08 -0.32 0.05 0.00 -0.00 0.00 0.00 43.42 43.22 2hmx n LEU 52 CO 0.38 -0.07 0.52 -0.08 -0.00 0.00 0.00 177.39 178.15 2hmx h GLU 53 N 0.00 0.66 -7.33 1.96 4.22 0.43 -3.33 114.58 111.20 2hmx h GLU 53 Ca 0.00 -0.38 -0.51 0.00 0.08 0.00 0.00 59.36 58.55 2hmx h GLU 53 Cb 0.65 0.03 0.13 0.00 0.50 0.00 0.00 28.75 30.05 2hmx h GLU 53 CO 0.00 0.99 0.32 0.95 -2.18 0.00 0.00 179.01 179.09 2hmx s THR 54 N -4.16 3.37 0.20 0.32 -4.23 -0.70 -4.80 115.64 105.65 2hmx s THR 54 Ca -0.08 0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 2hmx s THR 54 Cb 0.11 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 71.09 2hmx s THR 54 CO 0.85 -0.58 1.80 0.28 -0.54 0.00 0.00 174.62 176.43 2hmx h SER 55 N -1.10 0.51 -0.36 3.99 0.02 -1.82 -2.50 113.55 112.30 2hmx h SER 55 Ca -0.44 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2hmx h SER 55 Cb 1.24 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2hmx h SER 55 CO 0.53 0.34 0.10 -0.08 -1.14 0.00 0.00 176.83 176.57 2hmx h GLU 56 N 0.65 0.65 0.21 3.45 4.81 -1.90 0.69 114.58 123.14 2hmx h GLU 56 Ca 0.28 -0.12 -0.32 0.00 -0.13 0.00 0.00 59.36 59.08 2hmx h GLU 56 Cb 0.17 -0.10 0.04 0.00 0.63 0.00 0.00 28.75 29.48 2hmx h GLU 56 CO -0.17 0.60 -1.37 0.78 -0.73 0.00 0.00 179.01 178.12 2hmx h GLY 57 N 0.86 0.62 2.00 1.92 0.00 -1.43 0.13 103.07 107.18 2hmx h GLY 57 Ca 0.14 -1.51 -0.00 0.00 0.00 0.00 0.00 47.33 45.96 2hmx h GLY 57 CO -0.00 1.32 -0.00 0.00 0.00 0.00 0.00 176.54 177.86 2hmx h ARG 59 N 0.00 0.27 0.00 0.00 2.43 0.65 0.57 114.38 118.30 2hmx h ARG 59 Ca -0.00 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2hmx h ARG 59 Cb 0.04 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2hmx h ARG 59 CO 0.00 1.22 -0.05 0.37 -1.51 0.00 0.00 179.97 180.00 2hmx h GLN 60 N 0.03 0.00 0.00 0.20 4.15 0.21 -2.12 115.11 117.58 2hmx h GLN 60 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.01 2hmx h GLN 60 Cb 2.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.70 2hmx h GLN 60 CO 0.09 0.05 -0.12 0.82 -1.93 0.00 0.00 178.83 177.74 2hmx h ILE 61 N 0.00 0.00 0.00 2.39 1.08 -0.02 -2.41 117.51 118.55 2hmx h ILE 61 Ca -0.00 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2hmx h ILE 61 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 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 -0.83 0.00 0.00 1.44 5.85 0.17 0.99 115.31 122.93 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 0.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 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 0.32 0.00 2.00 3.75 0.00 -1.50 -2.48 103.07 105.16 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 -3.29 115.11 119.89 2hmx h GLN 64 Ca -0.00 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.07 2hmx h GLN 64 Cb 0.05 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 2hmx h GLN 64 CO -0.00 0.00 -2.33 -0.11 -1.93 0.00 0.00 178.83 174.46 2hmx n LEU 65 N -2.84 1.11 0.23 -2.39 7.94 0.21 -2.91 117.00 118.35 2hmx n LEU 65 Ca -0.02 -0.05 -0.15 0.00 -1.11 0.00 0.00 56.01 54.68 2hmx n LEU 65 Cb 0.08 -0.02 -0.08 0.00 0.53 0.00 0.00 43.42 43.92 2hmx n LEU 65 CO 0.18 0.63 0.70 1.56 -1.11 0.00 0.00 177.39 179.35 2hmx h GLN 66 N 0.00 -0.52 -0.42 1.96 4.20 -1.51 0.97 115.11 119.79 2hmx h GLN 66 Ca -0.52 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.31 2hmx h GLN 66 Cb 2.04 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 29.85 2hmx h GLN 66 CO -0.01 -0.31 -0.23 -1.00 -0.67 0.00 0.00 178.83 176.61 2hmx h PRO 67 N -0.60 -0.14 0.00 1.46 0.13 -1.71 -2.15 132.00 128.99 2hmx h PRO 67 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2hmx h PRO 67 Cb 0.45 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2hmx h PRO 67 CO 0.09 -0.09 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 2hmx n SER 68 N -5.39 0.00 0.07 1.44 7.64 0.19 -1.48 113.62 116.08 2hmx n SER 68 Ca 0.02 -1.02 -0.11 0.00 1.01 0.00 0.00 58.87 58.77 2hmx n SER 68 Cb 0.31 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.37 2hmx n SER 68 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2hmx h LEU 69 N 0.00 0.20 -1.36 -3.43 3.38 0.13 0.84 115.31 115.07 2hmx h LEU 69 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2hmx h LEU 69 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2hmx h LEU 69 CO 0.00 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.71 2hmx n GLN 70 N -3.41 0.15 -0.00 1.13 10.64 -0.55 -1.79 117.38 123.55 2hmx n GLN 70 Ca -0.06 0.61 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 2hmx n GLN 70 Cb 0.99 -1.96 -0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -2.27 0.00 0.00 -0.39 -2.24 -0.50 -4.64 114.28 104.23 2hmx n THR 71 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2hmx n THR 71 Cb 0.06 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 2.18 -0.30 0.00 3.38 0.00 0.28 -4.27 105.19 106.46 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 -1.84 0.00 0.09 1.61 3.41 -1.21 -4.80 113.62 110.89 2hmx n SER 73 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2hmx n SER 73 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 2hmx n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hmx n GLU 74 N -0.05 0.08 0.02 4.33 -0.58 -1.26 -0.99 120.64 122.19 2hmx n GLU 74 Ca 0.00 0.55 -0.02 0.00 -0.42 0.00 0.00 57.16 57.26 2hmx n GLU 74 Cb 0.00 -1.75 -0.10 0.00 -0.57 0.00 0.00 31.44 29.02 2hmx n GLU 74 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2hmx n GLU 75 N -1.93 0.62 0.15 3.49 2.13 -1.26 -1.54 120.64 122.30 2hmx n GLU 75 Ca -0.00 0.24 0.02 0.00 0.66 0.00 0.00 57.16 58.08 2hmx n GLU 75 Cb 0.05 -1.81 0.34 0.00 0.27 0.00 0.00 31.44 30.29 2hmx n GLU 75 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2hmx h LEU 76 N 0.00 0.10 -1.05 4.31 6.46 -1.37 -2.39 115.31 121.37 2hmx h LEU 76 Ca -0.19 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2hmx h LEU 76 Cb 1.69 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.56 2hmx h LEU 76 CO 0.05 0.42 0.31 -0.09 -0.62 0.00 0.00 178.44 178.52 2hmx h ARG 77 N 0.09 0.99 -0.52 1.25 1.12 -0.10 0.58 114.38 117.79 2hmx h ARG 77 Ca 0.01 -0.14 -0.10 0.00 -1.11 0.00 0.00 59.98 58.64 2hmx h ARG 77 Cb 0.61 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.38 2hmx h ARG 77 CO 0.04 0.78 -0.07 1.03 -3.11 0.00 0.00 179.97 178.64 2hmx h SER 78 N 0.98 0.96 -0.91 -3.80 0.87 -1.23 -1.63 113.55 108.79 2hmx h SER 78 Ca 0.24 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2hmx h SER 78 Cb 0.13 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 2hmx h SER 78 CO -0.03 1.07 0.58 -0.07 -0.53 0.00 0.00 176.83 177.85 2hmx h LEU 79 N 0.83 1.07 -0.76 2.23 4.07 -1.10 -2.28 115.31 119.38 2hmx h LEU 79 Ca 0.14 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 2hmx h LEU 79 Cb 0.62 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2hmx h LEU 79 CO 0.04 0.80 -0.34 0.22 -1.08 0.00 0.00 178.44 178.08 2hmx h TYR 80 N 1.25 0.65 -0.47 1.13 3.20 0.98 -1.34 116.97 122.36 2hmx h TYR 80 Ca 0.33 -0.17 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2hmx h TYR 80 Cb -0.10 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2hmx h TYR 80 CO -0.00 0.82 -0.21 -2.95 -1.64 0.00 0.00 178.16 174.19 2hmx h ASN 81 N 0.47 0.98 1.61 -2.11 7.08 -0.78 -0.98 115.58 121.86 2hmx h ASN 81 Ca 0.05 -0.36 -0.00 0.00 -3.08 0.00 0.00 56.30 52.91 2hmx h ASN 81 Cb 0.82 -0.27 -0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2hmx h ASN 81 CO 0.07 1.15 -0.01 0.74 -2.08 0.00 0.00 177.43 177.29 2hmx h THR 82 N 0.83 0.02 0.20 6.14 2.02 -1.34 0.23 112.91 121.01 2hmx h THR 82 Ca 0.11 -0.84 -0.32 0.00 0.77 0.00 0.00 66.41 66.13 2hmx h THR 82 Cb 0.77 1.82 0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2hmx h THR 82 CO 0.06 0.01 -1.54 0.40 0.37 0.00 0.00 175.52 174.82 2hmx h ILE 83 N 0.00 1.11 -0.03 3.11 1.08 -1.12 0.57 117.51 122.23 2hmx h ILE 83 Ca -0.00 -2.56 -0.17 0.00 -0.39 0.00 0.00 64.86 61.74 2hmx h ILE 83 Cb 0.82 2.89 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 2hmx h ILE 83 CO 0.00 0.81 -0.74 0.00 -0.69 0.00 0.00 178.15 177.54 2hmx h ALA 84 N 0.10 0.70 0.75 1.87 0.00 -0.74 0.61 119.26 122.55 2hmx h ALA 84 Ca -0.29 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 53.94 2hmx h ALA 84 Cb 2.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.76 2hmx h ALA 84 CO 0.20 0.83 -0.36 0.28 0.00 0.00 0.00 179.25 180.20 2hmx h VAL 85 N 0.12 0.00 0.00 0.00 2.07 -0.95 0.32 116.25 117.81 2hmx h VAL 85 Ca -0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2hmx h VAL 85 Cb 1.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2hmx h VAL 85 CO 0.11 0.00 0.02 -0.11 0.02 0.00 0.00 177.57 177.61 2hmx n LEU 86 N -4.84 0.40 0.02 2.57 7.94 0.20 0.10 117.00 123.39 2hmx n LEU 86 Ca -0.13 0.68 -0.12 0.00 -1.11 0.00 0.00 56.01 55.33 2hmx n LEU 86 Cb 0.40 -0.72 -0.14 0.00 0.53 0.00 0.00 43.42 43.49 2hmx n LEU 86 CO 0.30 -0.82 -0.40 0.22 -1.11 0.00 0.00 177.39 175.58 2hmx h TYR 87 N 0.00 0.19 -0.72 1.96 5.03 0.44 0.93 116.97 124.80 2hmx h TYR 87 Ca 0.00 -0.14 0.10 0.00 2.58 0.00 0.00 58.73 61.27 2hmx h TYR 87 Cb 0.05 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.24 2hmx h TYR 87 CO 0.00 1.21 0.35 0.00 -1.32 0.00 0.00 178.16 178.40 2hmx h VAL 89 N 0.58 1.53 0.00 0.00 2.07 0.50 0.96 116.25 121.89 2hmx h VAL 89 Ca 0.36 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2hmx h VAL 89 Cb 0.41 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2hmx h VAL 89 CO -0.29 0.49 -0.07 0.45 0.02 0.00 0.00 177.57 178.17 2hmx h HIS 90 N -0.93 0.00 0.00 1.57 3.86 -0.67 -2.17 115.15 116.81 2hmx h HIS 90 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 2hmx h HIS 90 Cb 0.82 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 2hmx h HIS 90 CO 0.22 0.07 -1.54 0.94 0.86 0.00 0.00 177.93 178.48 2hmx n GLN 91 N -3.31 0.55 0.00 2.45 -0.06 0.29 -4.64 117.38 112.66 2hmx n GLN 91 Ca -0.01 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 2hmx n GLN 91 Cb 0.25 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 2hmx n GLN 91 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2hmx n ARG 92 N -4.40 0.00 -1.61 3.69 5.12 0.27 -5.06 116.66 114.66 2hmx n ARG 92 Ca -0.33 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.20 2hmx n ARG 92 Cb 0.66 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 32.01 2hmx n ARG 92 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2hmx n ILE 93 N 0.00 3.46 -4.27 0.55 -0.00 0.21 -4.83 119.36 114.48 2hmx n ILE 93 Ca 0.00 -0.50 -0.22 0.00 -0.00 0.00 0.00 62.75 62.03 2hmx n ILE 93 Cb 0.00 -1.15 -0.12 0.00 -0.00 0.00 0.00 39.64 38.37 2hmx n ILE 93 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2hmx s ASP 94 N -1.16 2.36 0.13 4.38 1.01 -1.26 -3.88 116.67 118.25 2hmx s ASP 94 Ca 0.73 -0.71 0.01 0.00 0.71 0.00 0.00 52.55 53.29 2hmx s ASP 94 Cb -0.44 -0.12 -0.00 0.00 1.01 0.00 0.00 42.92 43.37 2hmx s ASP 94 CO 0.49 0.00 0.04 1.33 0.21 0.00 0.00 175.17 177.24 2hmx n VAL 95 N 0.95 0.00 0.01 -1.27 0.24 -1.26 -4.99 118.33 112.02 2hmx n VAL 95 Ca -0.18 -0.74 -0.01 0.00 -2.04 0.00 0.00 64.34 61.37 2hmx n VAL 95 Cb 0.54 0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 33.16 2hmx n VAL 95 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hmx n LYS 96 N -0.30 0.04 -0.99 7.34 5.02 -1.26 -5.00 118.16 123.01 2hmx n LYS 96 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2hmx n LYS 96 Cb 0.19 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 2hmx n LYS 96 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2hmx n ASP 97 N -3.08 1.71 0.00 4.39 5.68 -1.26 0.59 116.55 124.59 2hmx n ASP 97 Ca -0.01 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2hmx n ASP 97 Cb 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2hmx n ASP 97 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2hmx n THR 98 N -0.08 0.00 0.34 2.12 -2.24 0.28 -0.86 114.28 113.84 2hmx n THR 98 Ca 0.00 1.36 0.22 0.00 -2.27 0.00 0.00 64.05 63.36 2hmx n THR 98 Cb 0.00 -2.27 1.19 0.00 -2.10 0.00 0.00 70.33 67.15 2hmx n THR 98 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2hmx h LYS 99 N 0.00 0.00 0.11 -0.78 3.64 -1.88 0.59 116.57 118.26 2hmx h LYS 99 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2hmx h LYS 99 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2hmx h LYS 99 CO 0.00 0.00 -1.59 0.93 -2.27 0.00 0.00 179.45 176.52 2hmx h GLU 100 N 0.00 0.24 0.53 1.90 4.39 -1.94 -0.24 114.58 119.47 2hmx h GLU 100 Ca 0.00 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 2hmx h GLU 100 Cb 0.06 0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2hmx h GLU 100 CO 0.00 1.20 -0.26 0.00 -1.16 0.00 0.00 179.01 178.79 2hmx h ALA 101 N -0.05 -0.72 0.00 3.43 0.00 -0.50 0.29 119.26 121.72 2hmx h ALA 101 Ca -0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2hmx h ALA 101 Cb 1.82 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2hmx h ALA 101 CO 0.05 -0.87 0.00 1.25 0.00 0.00 0.00 179.25 179.68 2hmx h LEU 102 N -0.79 0.00 0.00 0.00 5.85 0.12 0.38 115.31 120.87 2hmx h LEU 102 Ca -0.07 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 2hmx h LEU 102 Cb 0.58 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2hmx h LEU 102 CO 0.12 0.00 -0.77 -0.78 -0.34 0.00 0.00 178.44 176.67 2hmx h ASP 103 N 0.00 0.00 0.05 1.25 1.82 -0.42 -1.99 116.42 117.13 2hmx h ASP 103 Ca 0.00 -0.59 -0.01 0.00 -0.39 0.00 0.00 57.03 56.05 2hmx h ASP 103 Cb 0.01 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 2hmx h ASP 103 CO 0.00 1.24 -0.02 0.50 -1.61 0.00 0.00 179.24 179.35 2hmx h LYS 104 N -1.00 0.00 0.13 0.28 3.64 0.35 0.60 116.57 120.57 2hmx h LYS 104 Ca -0.20 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.82 2hmx h LYS 104 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2hmx h LYS 104 CO -0.12 0.02 -1.94 0.82 -2.27 0.00 0.00 179.45 175.96 2hmx h ILE 105 N 0.00 0.67 0.00 2.00 5.03 -1.18 0.11 117.51 124.14 2hmx h ILE 105 Ca -0.00 -2.36 -0.01 0.00 -0.12 0.00 0.00 64.86 62.37 2hmx h ILE 105 Cb 0.06 2.53 -0.00 0.00 -3.03 0.00 0.00 36.82 36.38 2hmx h ILE 105 CO 0.00 0.88 -0.05 -0.08 -0.68 0.00 0.00 178.15 178.23 2hmx h GLU 106 N 0.04 0.00 0.00 2.37 4.81 -0.41 0.88 114.58 122.26 2hmx h GLU 106 Ca -0.41 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.59 2hmx h GLU 106 Cb 2.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.35 2hmx h GLU 106 CO 0.09 0.05 -2.09 -1.91 -0.73 0.00 0.00 179.01 174.41 2hmx n GLU 107 N -3.82 1.01 0.00 1.92 4.07 0.20 -4.38 120.64 119.64 2hmx n GLU 107 Ca -0.03 -0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 2hmx n GLU 107 Cb 0.14 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2hmx n GLU 107 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2hmx n GLU 108 N -2.50 0.00 0.27 5.31 4.07 0.32 -4.72 120.64 123.38 2hmx n GLU 108 Ca -0.21 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.00 2hmx n GLU 108 Cb 0.90 -0.36 0.73 0.00 -0.06 0.00 0.00 31.44 32.64 2hmx n GLU 108 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2hmx h GLN 109 N 0.00 0.00 -5.10 5.31 5.75 -0.15 -3.48 115.11 117.44 2hmx h GLN 109 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2hmx h GLN 109 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2hmx h GLN 109 CO 0.00 0.07 -1.17 -1.71 -2.65 0.00 0.00 178.83 173.36 2hmx n ASN 110 N -4.06 -5.90 -3.57 -0.69 2.85 0.28 -4.97 115.26 99.20 2hmx n ASN 110 Ca -0.03 1.42 -0.15 0.00 -0.11 0.00 0.00 54.58 55.72 2hmx n ASN 110 Cb 0.15 -5.35 -0.06 0.00 1.24 0.00 0.00 39.78 35.77 2hmx n ASN 110 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2hmx s LYS 111 N -1.37 0.85 0.23 1.20 -0.14 -1.26 -5.03 119.74 114.22 2hmx s LYS 111 Ca -0.08 0.48 -0.20 0.00 -1.36 0.00 0.00 55.97 54.80 2hmx s LYS 111 Cb 0.01 0.41 0.03 0.00 -1.68 0.00 0.00 37.83 36.60 2hmx s LYS 111 CO 0.79 -0.21 0.64 0.45 -0.76 0.00 0.00 175.35 176.26 2hmx s SER 112 N -0.58 -0.34 -0.29 2.83 0.15 -1.26 -4.80 113.70 109.41 2hmx s SER 112 Ca -0.05 -0.43 -0.38 0.00 0.70 0.00 0.00 55.95 55.79 2hmx s SER 112 Cb -0.02 0.66 0.16 0.00 -1.71 0.00 0.00 66.02 65.11 2hmx s SER 112 CO 0.04 -1.18 1.38 -0.75 1.20 0.00 0.00 173.24 173.94 2hmx s LYS 113 N -3.87 0.03 -0.17 5.44 2.47 -1.26 -5.02 119.74 117.36 2hmx s LYS 113 Ca 0.08 -0.01 -0.13 0.00 -1.56 0.00 0.00 55.97 54.36 2hmx s LYS 113 Cb -0.03 0.01 0.05 0.00 -1.46 0.00 0.00 37.83 36.40 2hmx s LYS 113 CO -0.00 -0.01 0.44 0.15 0.16 0.00 0.00 175.35 176.08 2hmx s LYS 114 N -1.98 0.47 0.00 4.03 -0.14 -1.26 -3.32 119.74 117.54 2hmx s LYS 114 Ca 0.12 0.71 0.00 0.00 -1.36 0.00 0.00 55.97 55.44 2hmx s LYS 114 Cb -0.01 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.26 2hmx s LYS 114 CO -0.03 -0.11 0.00 1.17 -0.76 0.00 0.00 175.35 175.63 2hmx n LYS 115 N 3.53 0.00 -3.80 1.68 3.00 -1.26 -5.05 118.16 116.26 2hmx n LYS 115 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.11 2hmx n LYS 115 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2hmx n LYS 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hmx s ALA 116 N -2.00 -1.82 0.32 3.14 0.00 -1.26 -5.19 121.76 114.95 2hmx s ALA 116 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.08 2hmx s ALA 116 Cb 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2hmx s ALA 116 CO 0.00 -1.07 0.16 -1.14 0.00 0.00 0.00 175.76 173.71 2hmx s GLN 117 N -2.55 2.47 0.00 0.00 0.74 -1.26 -4.75 119.66 114.31 2hmx s GLN 117 Ca 0.18 -1.45 0.00 0.00 0.05 0.00 0.00 55.36 54.14 2hmx s GLN 117 Cb -0.01 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.85 2hmx s GLN 117 CO 0.02 0.16 0.00 0.94 -0.55 0.00 0.00 175.29 175.86 2hmx n GLN 118 N -1.16 0.00 -2.25 1.67 7.27 -1.26 -5.04 117.38 116.61 2hmx n GLN 118 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.03 2hmx n GLN 118 Cb 0.60 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.25 2hmx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2hmx n ALA 119 N -3.00 -2.15 -3.57 1.69 0.00 -1.26 -4.84 120.51 107.37 2hmx n ALA 119 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 2hmx n ALA 119 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 2hmx n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hmx s ALA 120 N -0.55 -1.90 0.12 0.00 0.00 -1.26 -5.10 121.76 113.06 2hmx s ALA 120 Ca -0.01 1.57 0.09 0.00 0.00 0.00 0.00 51.96 53.61 2hmx s ALA 120 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2hmx s ALA 120 CO 0.03 -0.31 -0.23 0.00 0.00 0.00 0.00 175.76 175.24 2hmx s ALA 121 N -0.97 2.07 -0.30 0.00 0.00 -1.26 -5.11 121.76 116.19 2hmx s ALA 121 Ca -0.03 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 2hmx s ALA 121 Cb -0.01 -0.29 0.18 0.00 0.00 0.00 0.00 23.12 23.00 2hmx s ALA 121 CO 0.03 0.41 1.06 0.34 0.00 0.00 0.00 175.76 177.59 2hmx s ASP 122 N -2.10 -0.44 0.21 0.00 2.15 -1.26 -5.14 116.67 110.10 2hmx s ASP 122 Ca 0.11 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.30 2hmx s ASP 122 Cb -0.09 1.34 0.00 0.00 -0.30 0.00 0.00 42.92 43.87 2hmx s ASP 122 CO 0.05 -0.08 0.00 0.41 -0.17 0.00 0.00 175.17 175.38 2hmx n THR 123 N 5.39 -4.37 -2.99 1.71 -1.04 -1.26 -5.00 114.28 106.72 2hmx n THR 123 Ca -0.03 1.60 -0.14 0.00 -2.04 0.00 0.00 64.05 63.43 2hmx n THR 123 Cb 0.55 -2.63 0.01 0.00 -1.82 0.00 0.00 70.33 66.44 2hmx n THR 123 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hmx n GLY 124 N 0.21 2.65 0.00 3.41 0.00 -1.26 -4.98 105.19 105.22 2hmx n GLY 124 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2hmx n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hmx n ASN 125 N 0.18 0.00 -1.03 1.61 2.85 -1.26 -5.00 115.26 112.61 2hmx n ASN 125 Ca 0.18 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.54 2hmx n ASN 125 Cb 0.71 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.70 2hmx n ASN 125 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2hmx n ASN 126 N -1.00 -3.93 0.00 1.20 4.13 -1.26 -4.84 115.26 109.55 2hmx n ASN 126 Ca 0.00 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.39 2hmx n ASN 126 Cb 0.00 -2.77 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 2hmx n ASN 126 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2hmx n SER 127 N 0.10 0.32 -4.93 6.41 2.88 -1.26 -5.08 113.62 112.06 2hmx n SER 127 Ca -0.12 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.17 2hmx n SER 127 Cb 0.47 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.98 2.41 0.00 -1.46 -2.07 -1.26 -5.02 119.66 110.28 2hmx s GLN 128 Ca 0.00 -0.26 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2hmx s GLN 128 Cb 0.00 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.69 2hmx s GLN 128 CO 0.00 -1.05 0.00 1.55 -1.32 0.00 0.00 175.29 174.47 2hmx n VAL 129 N -2.77 0.00 -0.00 3.63 3.14 -1.26 -4.96 118.33 116.11 2hmx n VAL 129 Ca 0.07 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2hmx n VAL 129 Cb 0.60 -0.10 -0.00 0.00 -1.06 0.00 0.00 33.84 33.28 2hmx n VAL 129 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2hmx n SER 130 N -1.72 4.99 -2.14 6.55 3.41 -1.26 -5.11 113.62 118.33 2hmx n SER 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hmx n SER 130 Cb 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 2hmx n SER 130 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2hmx n GLN 131 N -1.82 -4.81 -0.82 4.33 7.27 -1.26 -4.98 117.38 115.29 2hmx n GLN 131 Ca -0.00 3.51 0.00 0.00 0.07 0.00 0.00 57.00 60.58 2hmx n GLN 131 Cb 0.32 -4.20 0.00 0.00 2.41 0.00 0.00 30.24 28.77 2hmx n GLN 131 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2hmx n ASN 132 N 1.68 -4.56 0.00 1.69 3.02 -1.26 -5.25 115.26 110.58 2hmx n ASN 132 Ca 0.00 0.86 0.01 0.00 -0.03 0.00 0.00 54.58 55.42 2hmx n ASN 132 Cb 0.00 -2.10 0.06 0.00 -0.61 0.00 0.00 39.78 37.13 2hmx n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64