#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hmd s PHE 2 N 0.00 3.49 0.54 1.61 0.08 -1.26 -5.06 117.98 117.38 1hmd s PHE 2 Ca 0.00 0.26 -0.22 0.00 0.12 0.00 0.00 56.93 57.09 1hmd s PHE 2 Cb 0.00 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1hmd s PHE 2 CO 0.00 0.48 1.35 -1.25 -0.10 0.00 0.00 175.22 175.70 1hmd s PRO 3 N -3.07 3.21 -0.36 0.24 0.04 -1.26 -4.99 135.00 128.81 1hmd s PRO 3 Ca 0.37 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 1hmd s PRO 3 Cb -0.11 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1hmd s PRO 3 CO 0.28 -1.13 0.41 0.42 0.04 0.00 0.00 177.00 177.02 1hmd s ILE 4 N -1.31 5.12 0.59 0.56 -1.09 -1.26 -5.03 121.20 118.78 1hmd s ILE 4 Ca 0.70 0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.95 1hmd s ILE 4 Cb -0.40 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1hmd s ILE 4 CO 0.48 -0.19 1.24 -2.65 -1.23 0.00 0.00 174.94 172.59 1hmd n PRO 5 N 5.50 1.30 -3.54 2.79 -0.02 -1.26 -5.00 135.00 134.76 1hmd n PRO 5 Ca -0.08 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 1hmd n PRO 5 Cb 0.49 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1hmd n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1hmd s ASP 6 N -1.15 1.19 0.66 2.55 2.15 -1.26 -3.17 116.67 117.65 1hmd s ASP 6 Ca 0.76 -0.06 -0.17 0.00 0.43 0.00 0.00 52.55 53.52 1hmd s ASP 6 Cb -0.41 0.38 -0.00 0.00 -0.30 0.00 0.00 42.92 42.59 1hmd s ASP 6 CO 0.46 -0.30 1.25 -2.16 -0.17 0.00 0.00 175.17 174.24 1hmd s PRO 7 N 2.33 2.51 -1.14 4.34 0.04 -1.26 -5.02 135.00 136.79 1hmd s PRO 7 Ca 0.05 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 1hmd s PRO 7 Cb -0.15 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1hmd s PRO 7 CO -0.11 -1.59 1.92 -0.47 0.04 0.00 0.00 177.00 176.79 1hmd s TYR 8 N -1.62 1.99 0.05 0.56 6.14 -1.19 -4.85 117.35 118.43 1hmd s TYR 8 Ca 0.79 0.35 0.01 0.00 0.64 0.00 0.00 57.07 58.86 1hmd s TYR 8 Cb -0.33 -4.06 -0.03 0.00 0.42 0.00 0.00 41.96 37.95 1hmd s TYR 8 CO 0.40 -1.34 -0.06 0.00 0.64 0.00 0.00 175.55 175.20 1hmd s TRP 10 N -2.40 2.59 0.30 0.00 -0.00 -1.26 -4.84 118.94 113.33 1hmd s TRP 10 Ca -0.03 1.38 0.02 0.00 -0.00 0.00 0.00 56.10 57.48 1hmd s TRP 10 Cb -0.03 -3.72 -0.05 0.00 -0.00 0.00 0.00 33.47 29.67 1hmd s TRP 10 CO -0.03 -2.43 0.12 0.16 -0.00 0.00 0.00 176.95 174.76 1hmd s ASP 11 N -0.84 1.63 0.00 5.86 1.47 -1.26 -5.04 116.67 118.49 1hmd s ASP 11 Ca 0.63 -1.47 0.14 0.00 1.18 0.00 0.00 52.55 53.03 1hmd s ASP 11 Cb -0.39 0.24 0.65 0.00 -0.34 0.00 0.00 42.92 43.08 1hmd s ASP 11 CO 0.48 -0.79 1.45 2.30 0.68 0.00 0.00 175.17 179.29 1hmd n ILE 12 N -0.58 0.91 0.32 2.11 -5.35 -1.26 -1.86 119.36 113.65 1hmd n ILE 12 Ca -0.01 0.23 0.16 0.00 -0.27 0.00 0.00 62.75 62.86 1hmd n ILE 12 Cb 0.66 -0.98 0.64 0.00 -1.74 0.00 0.00 39.64 38.22 1hmd n ILE 12 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1hmd h SER 13 N 0.00 0.00 0.22 7.28 4.64 -2.01 -2.26 113.55 121.41 1hmd h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hmd h SER 13 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1hmd h SER 13 CO 0.00 0.00 -0.20 0.49 -0.87 0.00 0.00 176.83 176.25 1hmd n PHE 14 N -2.78 0.00 -1.66 4.77 3.01 -0.78 -4.96 117.46 115.07 1hmd n PHE 14 Ca 0.01 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.01 1hmd n PHE 14 Cb 0.26 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1hmd n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1hmd n ARG 15 N -0.58 1.95 -0.01 -1.08 1.74 -0.85 -4.89 116.66 112.94 1hmd n ARG 15 Ca 0.13 0.70 0.09 0.00 -0.77 0.00 0.00 57.85 58.00 1hmd n ARG 15 Cb 0.34 -2.37 -0.13 0.00 -1.02 0.00 0.00 32.46 29.28 1hmd n ARG 15 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1hmd n THR 16 N 2.25 0.00 -0.74 0.55 -2.24 -1.26 -4.98 114.28 107.85 1hmd n THR 16 Ca 0.13 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1hmd n THR 16 Cb 0.30 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1hmd n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hmd n PHE 17 N -1.91 0.00 -3.51 4.78 3.72 -1.26 -4.92 117.46 114.36 1hmd n PHE 17 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1hmd n PHE 17 Cb 0.42 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.87 1hmd n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1hmd s TYR 18 N -2.97 3.33 0.25 1.38 2.02 -1.26 -4.99 117.35 115.11 1hmd s TYR 18 Ca 0.00 -1.44 -0.05 0.00 -0.37 0.00 0.00 57.07 55.20 1hmd s TYR 18 Cb 0.00 -3.24 0.30 0.00 -0.40 0.00 0.00 41.96 38.62 1hmd s TYR 18 CO 0.00 -0.89 1.91 1.79 -1.57 0.00 0.00 175.55 176.79 1hmd h THR 19 N 5.99 1.19 -0.59 -0.71 1.35 -1.99 -0.24 112.91 117.91 1hmd h THR 19 Ca -0.25 -0.43 -0.03 0.00 -0.55 0.00 0.00 66.41 65.15 1hmd h THR 19 Cb 1.09 -0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 1hmd h THR 19 CO 0.84 0.23 0.24 -0.29 -0.25 0.00 0.00 175.52 176.30 1hmd h ILE 20 N 1.27 1.23 0.14 6.82 -0.00 -1.99 -0.00 117.51 124.97 1hmd h ILE 20 Ca 0.38 -0.70 -0.01 0.00 -0.00 0.00 0.00 64.86 64.54 1hmd h ILE 20 Cb -0.04 0.58 0.00 0.00 -0.00 0.00 0.00 36.82 37.36 1hmd h ILE 20 CO -0.11 0.27 -0.07 0.40 -0.00 0.00 0.00 178.15 178.65 1hmd h ILE 21 N 0.82 0.89 -0.51 2.19 1.08 -1.83 -0.90 117.51 119.25 1hmd h ILE 21 Ca 0.20 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 1hmd h ILE 21 Cb 0.19 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1hmd h ILE 21 CO -0.02 0.02 0.24 0.44 -0.69 0.00 0.00 178.15 178.14 1hmd h ASP 22 N -0.23 0.31 -0.83 1.72 3.32 -0.74 0.64 116.42 120.62 1hmd h ASP 22 Ca -0.02 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1hmd h ASP 22 Cb 0.18 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1hmd h ASP 22 CO 0.03 0.21 0.41 0.44 -1.72 0.00 0.00 179.24 178.61 1hmd h ASP 23 N 0.46 1.08 -0.44 6.45 3.45 -0.91 -2.45 116.42 124.05 1hmd h ASP 23 Ca 0.23 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.47 1hmd h ASP 23 Cb 0.18 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1hmd h ASP 23 CO -0.19 0.90 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.94 1hmd h GLU 24 N 1.18 0.91 -0.97 3.56 5.08 -0.55 -3.09 114.58 120.71 1hmd h GLU 24 Ca 0.29 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1hmd h GLU 24 Cb 0.10 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1hmd h GLU 24 CO -0.04 0.97 0.62 0.45 -1.00 0.00 0.00 179.01 180.02 1hmd h HIS 25 N 0.82 1.16 -0.76 4.33 3.86 -0.50 -0.65 115.15 123.41 1hmd h HIS 25 Ca 0.13 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.54 1hmd h HIS 25 Cb 0.64 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1hmd h HIS 25 CO 0.04 0.63 0.51 0.87 0.86 0.00 0.00 177.93 180.85 1hmd h LYS 26 N 1.17 0.30 0.00 2.45 1.57 -1.36 0.72 116.57 121.42 1hmd h LYS 26 Ca 0.40 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 1hmd h LYS 26 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1hmd h LYS 26 CO -0.15 0.20 -0.63 1.79 -0.57 0.00 0.00 179.45 180.09 1hmd h THR 27 N 0.31 1.27 0.04 -0.16 1.35 -1.16 -2.11 112.91 112.46 1hmd h THR 27 Ca 0.38 -2.29 -0.26 0.00 -0.55 0.00 0.00 66.41 63.69 1hmd h THR 27 Cb 1.02 2.30 0.02 0.00 -1.73 0.00 0.00 68.15 69.75 1hmd h THR 27 CO -0.10 0.61 -1.08 -0.07 -0.25 0.00 0.00 175.52 174.63 1hmd h LEU 28 N 0.00 0.75 -0.18 3.87 3.38 -0.69 -1.60 115.31 120.84 1hmd h LEU 28 Ca -0.01 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.35 1hmd h LEU 28 Cb 1.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1hmd h LEU 28 CO 0.08 1.44 0.03 -0.26 0.09 0.00 0.00 178.44 179.83 1hmd h PHE 29 N 0.29 0.06 -0.38 1.13 -1.00 -1.26 -2.27 116.94 113.51 1hmd h PHE 29 Ca -0.13 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.69 1hmd h PHE 29 Cb 1.74 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.26 1hmd h PHE 29 CO 0.09 0.02 0.18 -0.97 -1.61 0.00 0.00 178.31 176.02 1hmd h ASN 30 N 0.11 0.25 -0.80 2.17 -1.24 -1.36 0.64 115.58 115.34 1hmd h ASN 30 Ca 0.08 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.16 1hmd h ASN 30 Cb 0.07 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 1hmd h ASN 30 CO -0.10 0.19 0.50 1.23 -1.29 0.00 0.00 177.43 177.95 1hmd h GLY 31 N 0.37 1.18 1.20 1.57 0.00 -1.04 -1.12 103.07 105.22 1hmd h GLY 31 Ca 0.16 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1hmd h GLY 31 CO -0.12 0.28 -0.51 -2.22 0.00 0.00 0.00 176.54 173.98 1hmd h ILE 32 N 0.95 1.28 -0.28 2.60 2.04 -0.94 -2.71 117.51 120.44 1hmd h ILE 32 Ca 0.34 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1hmd h ILE 32 Cb 0.09 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1hmd h ILE 32 CO -0.14 0.55 0.18 0.25 0.00 0.00 0.00 178.15 178.99 1hmd h LEU 33 N 0.66 0.33 -0.51 1.44 5.85 -0.35 -1.87 115.31 120.87 1hmd h LEU 33 Ca 0.03 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1hmd h LEU 33 Cb 1.10 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1hmd h LEU 33 CO 0.11 0.27 0.20 -0.07 -0.34 0.00 0.00 178.44 178.61 1hmd h LEU 34 N 0.36 0.22 -1.62 2.25 3.38 -1.18 -0.71 115.31 118.02 1hmd h LEU 34 Ca 0.10 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1hmd h LEU 34 Cb -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1hmd h LEU 34 CO -0.02 0.16 0.26 -0.07 0.09 0.00 0.00 178.44 178.86 1hmd h LEU 35 N 0.39 0.45 -0.93 1.67 3.38 -1.26 -0.54 115.31 118.47 1hmd h LEU 35 Ca 0.24 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1hmd h LEU 35 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hmd h LEU 35 CO -0.23 0.32 -0.45 0.77 0.09 0.00 0.00 178.44 178.94 1hmd h SER 36 N 0.53 0.20 0.23 -0.43 4.64 -0.33 -2.99 113.55 115.39 1hmd h SER 36 Ca 0.15 -0.09 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 1hmd h SER 36 Cb -0.05 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1hmd h SER 36 CO -0.03 0.63 -0.93 1.56 -0.87 0.00 0.00 176.83 177.18 1hmd h GLN 37 N 0.15 0.50 -1.16 4.77 4.20 -0.30 -3.45 115.11 119.82 1hmd h GLN 37 Ca 0.01 -0.51 0.11 0.00 0.06 0.00 0.00 58.65 58.32 1hmd h GLN 37 Cb 0.86 0.14 -0.21 0.00 0.30 0.00 0.00 27.48 28.57 1hmd h GLN 37 CO 0.07 1.15 -0.15 0.00 -0.67 0.00 0.00 178.83 179.23 1hmd s ALA 38 N -3.35 -2.38 -1.29 3.87 0.00 -0.30 -5.09 121.76 113.22 1hmd s ALA 38 Ca -0.07 1.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1hmd s ALA 38 Cb 0.09 -2.11 0.07 0.00 0.00 0.00 0.00 23.12 21.17 1hmd s ALA 38 CO 0.88 -1.22 1.73 0.34 0.00 0.00 0.00 175.76 177.49 1hmd s ASP 39 N 2.85 6.83 0.42 0.00 3.68 -1.14 -4.17 116.67 125.15 1hmd s ASP 39 Ca 0.10 -2.43 0.03 0.00 2.13 0.00 0.00 52.55 52.38 1hmd s ASP 39 Cb -0.13 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.73 1hmd s ASP 39 CO -0.19 -1.18 0.08 0.54 0.13 0.00 0.00 175.17 174.56 1hmd s ASN 40 N 4.24 3.12 0.17 -0.34 6.03 -1.26 -5.05 114.94 121.85 1hmd s ASN 40 Ca 0.54 -1.62 -0.11 0.00 -1.03 0.00 0.00 52.86 50.64 1hmd s ASN 40 Cb 0.04 0.40 0.06 0.00 -3.03 0.00 0.00 41.25 38.72 1hmd s ASN 40 CO 0.08 -0.85 1.68 0.00 -2.03 0.00 0.00 177.10 175.98 1hmd h ALA 41 N 1.72 0.77 0.09 3.54 0.00 -1.98 -0.49 119.26 122.90 1hmd h ALA 41 Ca -0.39 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1hmd h ALA 41 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1hmd h ALA 41 CO 0.64 0.48 -0.16 -0.44 0.00 0.00 0.00 179.25 179.77 1hmd h ASP 42 N 0.84 -0.43 -0.73 0.00 3.32 -1.97 0.89 116.42 118.35 1hmd h ASP 42 Ca 0.18 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1hmd h ASP 42 Cb 0.35 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1hmd h ASP 42 CO 0.00 -0.23 0.43 0.45 -1.72 0.00 0.00 179.24 178.17 1hmd h HIS 43 N -0.30 0.97 -0.43 4.55 3.86 -1.83 -1.65 115.15 120.31 1hmd h HIS 43 Ca 0.02 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1hmd h HIS 43 Cb 0.32 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1hmd h HIS 43 CO -0.17 0.66 0.06 1.25 0.86 0.00 0.00 177.93 180.59 1hmd h LEU 44 N 0.99 0.69 -0.35 2.43 5.85 -0.74 -2.10 115.31 122.07 1hmd h LEU 44 Ca 0.26 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1hmd h LEU 44 Cb -0.02 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 1hmd h LEU 44 CO -0.05 0.78 -0.07 0.78 -0.34 0.00 0.00 178.44 179.54 1hmd h ASN 45 N 0.57 -0.29 -0.05 1.25 -0.26 -0.75 0.17 115.58 116.21 1hmd h ASN 45 Ca 0.13 0.10 0.03 0.00 -0.56 0.00 0.00 56.30 56.00 1hmd h ASN 45 Cb 0.39 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.83 1hmd h ASN 45 CO 0.01 -0.10 -0.12 -0.08 -1.06 0.00 0.00 177.43 176.08 1hmd h GLU 46 N 0.02 -0.17 -0.12 0.81 4.57 -1.16 -0.31 114.58 118.21 1hmd h GLU 46 Ca 0.17 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1hmd h GLU 46 Cb 0.26 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1hmd h GLU 46 CO -0.35 -0.11 0.06 1.25 -1.18 0.00 0.00 179.01 178.67 1hmd h LEU 47 N -0.18 0.15 -0.82 1.64 5.85 -1.14 -2.06 115.31 118.76 1hmd h LEU 47 Ca 0.06 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1hmd h LEU 47 Cb 0.26 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1hmd h LEU 47 CO -0.16 0.23 0.53 -0.09 -0.34 0.00 0.00 178.44 178.61 1hmd h ARG 48 N 0.07 1.00 0.40 1.25 9.65 -0.55 0.02 114.38 126.22 1hmd h ARG 48 Ca 0.04 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1hmd h ARG 48 Cb 0.11 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1hmd h ARG 48 CO -0.01 0.66 -0.19 -0.09 2.80 0.00 0.00 179.97 183.14 1hmd h ARG 49 N 1.03 -0.52 -0.78 0.20 2.43 -1.01 -1.72 114.38 114.01 1hmd h ARG 49 Ca 0.33 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 1hmd h ARG 49 Cb -0.00 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1hmd h ARG 49 CO -0.11 -0.27 0.51 0.00 -1.51 0.00 0.00 179.97 178.59 1hmd h THR 51 N 0.96 1.24 -0.35 0.00 2.02 -0.99 0.05 112.91 115.84 1hmd h THR 51 Ca 0.31 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.79 1hmd h THR 51 Cb 0.03 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1hmd h THR 51 CO -0.09 0.20 0.12 1.23 0.37 0.00 0.00 175.52 177.36 1hmd h GLY 52 N -0.20 0.45 0.76 2.16 0.00 -1.03 0.64 103.07 105.85 1hmd h GLY 52 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1hmd h GLY 52 CO 0.00 0.03 0.01 1.70 0.00 0.00 0.00 176.54 178.28 1hmd h LYS 53 N 0.27 0.10 0.03 4.80 3.64 -1.29 -2.43 116.57 121.69 1hmd h LYS 53 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1hmd h LYS 53 Cb 0.13 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1hmd h LYS 53 CO -0.16 0.34 -0.01 1.25 -2.27 0.00 0.00 179.45 178.60 1hmd h HIS 54 N -0.16 -0.03 -0.75 1.91 2.76 -0.73 -1.24 115.15 116.90 1hmd h HIS 54 Ca 0.02 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1hmd h HIS 54 Cb 0.29 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 1hmd h HIS 54 CO 0.02 0.02 0.40 0.74 -1.30 0.00 0.00 177.93 177.81 1hmd h PHE 55 N -0.08 0.71 -0.32 5.26 0.04 -0.90 0.39 116.94 122.04 1hmd h PHE 55 Ca -0.00 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1hmd h PHE 55 Cb 0.07 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1hmd h PHE 55 CO -0.06 0.26 -0.05 1.25 -0.60 0.00 0.00 178.31 179.11 1hmd h LEU 56 N 0.66 0.60 -0.61 1.54 5.85 -1.21 -1.60 115.31 120.54 1hmd h LEU 56 Ca 0.37 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1hmd h LEU 56 Cb 0.38 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1hmd h LEU 56 CO -0.27 0.81 0.32 0.78 -0.34 0.00 0.00 178.44 179.74 1hmd h ASN 57 N 0.39 0.78 -0.12 1.25 -0.26 -0.71 0.14 115.58 117.04 1hmd h ASN 57 Ca 0.08 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.61 1hmd h ASN 57 Cb 0.53 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1hmd h ASN 57 CO 0.03 0.66 -0.27 -0.08 -1.06 0.00 0.00 177.43 176.71 1hmd h GLU 58 N 0.83 0.58 -0.72 0.81 4.81 -0.88 -0.51 114.58 119.52 1hmd h GLU 58 Ca 0.21 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1hmd h GLU 58 Cb 0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1hmd h GLU 58 CO -0.03 0.80 0.22 1.96 -0.73 0.00 0.00 179.01 181.23 1hmd h GLN 59 N 0.51 1.12 -0.60 1.92 4.20 -0.86 -0.97 115.11 120.41 1hmd h GLN 59 Ca 0.07 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1hmd h GLN 59 Cb 0.73 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1hmd h GLN 59 CO 0.06 0.96 0.09 1.96 -0.67 0.00 0.00 178.83 181.23 1hmd h GLN 60 N 1.06 1.01 -0.73 1.46 4.20 -0.56 -0.93 115.11 120.61 1hmd h GLN 60 Ca 0.23 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1hmd h GLN 60 Cb 0.31 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1hmd h GLN 60 CO -0.01 0.95 0.44 1.25 -0.67 0.00 0.00 178.83 180.80 1hmd h LEU 61 N 0.91 0.88 -0.25 1.46 5.85 -0.48 -2.17 115.31 121.52 1hmd h LEU 61 Ca 0.18 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1hmd h LEU 61 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1hmd h LEU 61 CO 0.01 0.69 0.17 0.24 -0.34 0.00 0.00 178.44 179.21 1hmd h MET 62 N 1.00 0.33 0.00 1.25 2.86 -0.90 -2.87 114.93 116.61 1hmd h MET 62 Ca 0.26 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1hmd h MET 62 Cb -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1hmd h MET 62 CO -0.05 0.22 -0.25 1.96 1.06 0.00 0.00 176.91 179.85 1hmd h GLN 63 N 0.34 0.00 0.00 1.72 4.20 -0.92 -1.57 115.11 118.88 1hmd h GLN 63 Ca 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1hmd h GLN 63 Cb -0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1hmd h GLN 63 CO -0.02 0.25 -0.02 0.77 -0.67 0.00 0.00 178.83 179.15 1hmd h SER 64 N 0.00 0.00 -0.10 1.46 0.02 -1.16 -1.71 113.55 112.06 1hmd h SER 64 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hmd h SER 64 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1hmd h SER 64 CO 0.03 0.02 0.00 -1.20 -1.14 0.00 0.00 176.83 174.54 1hmd n SER 65 N -3.18 2.42 -3.98 3.07 7.64 -1.13 -4.99 113.62 113.47 1hmd n SER 65 Ca -0.02 -2.26 -0.29 0.00 1.01 0.00 0.00 58.87 57.31 1hmd n SER 65 Cb 0.17 -0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1hmd n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hmd n GLN 66 N -0.43 -4.11 -1.63 1.43 6.02 -0.64 -4.83 117.38 113.20 1hmd n GLN 66 Ca 0.07 0.48 -0.54 0.00 -0.01 0.00 0.00 57.00 57.00 1hmd n GLN 66 Cb 0.41 -5.04 -0.06 0.00 1.02 0.00 0.00 30.24 26.56 1hmd n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1hmd n TYR 67 N -4.46 1.66 0.28 1.08 -0.00 -0.61 -4.85 117.16 110.26 1hmd n TYR 67 Ca -0.11 0.62 0.16 0.00 -0.00 0.00 0.00 57.90 58.58 1hmd n TYR 67 Cb 0.59 -2.36 0.75 0.00 -0.00 0.00 0.00 39.34 38.31 1hmd n TYR 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1hmd h ALA 68 N 5.35 1.06 -0.59 2.98 0.00 -1.90 -2.72 119.26 123.44 1hmd h ALA 68 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1hmd h ALA 68 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hmd h ALA 68 CO 0.83 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1hmd n GLY 69 N -0.27 2.08 0.27 0.00 0.00 -1.26 -4.62 105.19 101.39 1hmd n GLY 69 Ca -0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1hmd n GLY 69 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1hmd h TYR 70 N 3.57 -0.65 -0.26 1.61 5.03 -1.86 -1.80 116.97 122.61 1hmd h TYR 70 Ca 0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.38 1hmd h TYR 70 Cb 1.02 0.30 -0.04 0.00 1.55 0.00 0.00 36.73 39.56 1hmd h TYR 70 CO 0.52 -0.33 0.00 0.00 -1.32 0.00 0.00 178.16 177.04 1hmd h ALA 71 N 0.60 0.23 -0.80 1.82 0.00 -1.85 0.11 119.26 119.36 1hmd h ALA 71 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1hmd h ALA 71 Cb 0.46 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1hmd h ALA 71 CO -0.29 -0.42 0.35 0.93 0.00 0.00 0.00 179.25 179.83 1hmd h GLU 72 N 0.08 1.18 -0.26 0.00 5.08 -1.86 -2.13 114.58 116.67 1hmd h GLU 72 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1hmd h GLU 72 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1hmd h GLU 72 CO -0.20 0.93 -0.08 1.25 -1.00 0.00 0.00 179.01 179.91 1hmd h HIS 73 N 1.15 0.58 -0.83 4.33 2.76 -0.63 -2.65 115.15 119.86 1hmd h HIS 73 Ca 0.27 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1hmd h HIS 73 Cb 0.17 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 1hmd h HIS 73 CO 0.02 0.74 0.52 -0.22 -1.30 0.00 0.00 177.93 177.69 1hmd h LYS 74 N 0.25 0.94 -0.75 5.26 3.64 -0.72 -2.08 116.57 123.12 1hmd h LYS 74 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1hmd h LYS 74 Cb 0.57 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1hmd h LYS 74 CO 0.03 0.62 0.48 -0.22 -2.27 0.00 0.00 179.45 178.09 1hmd h LYS 75 N 0.97 1.00 -0.48 1.90 1.63 -1.24 -0.33 116.57 120.02 1hmd h LYS 75 Ca 0.35 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1hmd h LYS 75 Cb 0.11 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1hmd h LYS 75 CO -0.15 0.67 0.29 0.00 -3.45 0.00 0.00 179.45 176.81 1hmd h ALA 76 N 1.26 0.61 0.00 5.00 0.00 -1.12 -1.84 119.26 123.17 1hmd h ALA 76 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1hmd h ALA 76 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1hmd h ALA 76 CO -0.06 -0.00 -0.00 0.45 0.00 0.00 0.00 179.25 179.64 1hmd h HIS 77 N 0.59 -0.01 -0.74 0.00 3.86 -0.99 -2.50 115.15 115.36 1hmd h HIS 77 Ca 0.19 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1hmd h HIS 77 Cb -0.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1hmd h HIS 77 CO -0.06 -0.00 0.49 -0.44 0.86 0.00 0.00 177.93 178.78 1hmd h ASP 78 N -0.01 0.81 -0.25 2.45 3.45 -0.92 -0.86 116.42 121.09 1hmd h ASP 78 Ca -0.00 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.35 1hmd h ASP 78 Cb 0.01 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 1hmd h ASP 78 CO 0.00 0.57 -0.16 0.44 -1.57 0.00 0.00 179.24 178.53 1hmd h ASP 79 N 0.95 0.67 -0.25 6.45 3.45 -1.16 -2.04 116.42 124.49 1hmd h ASP 79 Ca 0.28 -0.21 -0.14 0.00 0.43 0.00 0.00 57.03 57.39 1hmd h ASP 79 Cb -0.03 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1hmd h ASP 79 CO -0.07 0.85 -0.40 0.15 -1.57 0.00 0.00 179.24 178.19 1hmd h PHE 80 N 0.61 0.89 -0.67 4.55 3.57 -0.85 -2.73 116.94 122.32 1hmd h PHE 80 Ca 0.10 -0.31 0.07 0.00 3.53 0.00 0.00 57.97 61.37 1hmd h PHE 80 Cb 0.61 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1hmd h PHE 80 CO 0.03 1.08 0.34 0.82 -2.23 0.00 0.00 178.31 178.35 1hmd h ILE 81 N 0.45 0.90 -0.83 1.41 1.08 -1.06 -1.27 117.51 118.19 1hmd h ILE 81 Ca 0.02 -0.21 0.14 0.00 -0.39 0.00 0.00 64.86 64.42 1hmd h ILE 81 Cb 1.00 0.23 -0.09 0.00 -3.07 0.00 0.00 36.82 34.89 1hmd h ILE 81 CO 0.09 0.11 0.43 -0.74 -0.69 0.00 0.00 178.15 177.35 1hmd h HIS 82 N 0.61 0.75 -0.50 1.37 2.76 -1.25 0.30 115.15 119.20 1hmd h HIS 82 Ca 0.32 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 1hmd h HIS 82 Cb 0.27 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1hmd h HIS 82 CO -0.10 0.20 0.21 0.87 -1.30 0.00 0.00 177.93 177.81 1hmd h LYS 83 N 0.63 0.75 -0.23 5.26 1.79 -1.05 -1.01 116.57 122.70 1hmd h LYS 83 Ca 0.44 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1hmd h LYS 83 Cb 0.60 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1hmd h LYS 83 CO -0.34 0.65 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.36 1hmd h LEU 84 N 0.67 0.45 -0.07 2.94 3.38 -0.11 -2.10 115.31 120.48 1hmd h LEU 84 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1hmd h LEU 84 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1hmd h LEU 84 CO -0.02 0.70 0.00 0.47 0.09 0.00 0.00 178.44 179.68 1hmd n ASP 85 N -4.13 0.36 -1.42 -0.43 10.43 0.94 -2.90 116.55 119.40 1hmd n ASP 85 Ca -0.00 0.54 -0.05 0.00 2.57 0.00 0.00 54.79 57.85 1hmd n ASP 85 Cb 0.40 -0.64 0.11 0.00 1.84 0.00 0.00 41.12 42.83 1hmd n ASP 85 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1hmd n THR 86 N -1.85 1.92 -1.62 -3.53 -2.24 -0.43 -5.06 114.28 101.47 1hmd n THR 86 Ca 0.06 -3.23 -0.53 0.00 -2.27 0.00 0.00 64.05 58.08 1hmd n THR 86 Cb 0.35 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 1hmd n THR 86 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1hmd n TRP 87 N -0.71 1.67 0.17 4.78 -0.00 -0.80 -4.89 117.44 117.66 1hmd n TRP 87 Ca 0.24 0.59 0.03 0.00 -0.00 0.00 0.00 57.50 58.36 1hmd n TRP 87 Cb 0.86 -2.37 0.05 0.00 -0.00 0.00 0.00 31.31 29.84 1hmd n TRP 87 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1hmd n ASP 88 N 3.20 1.84 0.00 5.87 3.85 -1.26 -4.99 116.55 125.05 1hmd n ASP 88 Ca 0.20 -1.48 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 1hmd n ASP 88 Cb 0.19 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 1hmd n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hmd n GLY 89 N 0.31 0.54 3.57 6.12 0.00 -1.26 -4.98 105.19 109.49 1hmd n GLY 89 Ca 0.05 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1hmd n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hmd s ASP 90 N -2.22 6.75 0.38 1.61 3.68 -1.26 -4.76 116.67 120.85 1hmd s ASP 90 Ca 0.00 -2.18 0.12 0.00 2.13 0.00 0.00 52.55 52.62 1hmd s ASP 90 Cb 0.00 -2.58 0.75 0.00 -1.45 0.00 0.00 42.92 39.64 1hmd s ASP 90 CO 0.00 -1.26 1.85 0.58 0.13 0.00 0.00 175.17 176.47 1hmd h VAL 91 N 5.90 1.25 -0.56 1.11 2.07 -1.96 -2.84 116.25 121.22 1hmd h VAL 91 Ca 0.38 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1hmd h VAL 91 Cb 0.91 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1hmd h VAL 91 CO 1.45 0.34 0.11 0.74 0.02 0.00 0.00 177.57 180.22 1hmd h THR 92 N 0.02 1.25 0.14 2.57 2.02 -2.00 0.24 112.91 117.16 1hmd h THR 92 Ca -0.00 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1hmd h THR 92 Cb 0.61 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1hmd h THR 92 CO 0.04 0.34 -0.18 0.22 0.37 0.00 0.00 175.52 176.32 1hmd h TYR 93 N 0.81 -0.48 -0.66 3.16 5.03 -1.91 -2.05 116.97 120.88 1hmd h TYR 93 Ca 0.17 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.51 1hmd h TYR 93 Cb 0.39 0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 1hmd h TYR 93 CO 0.03 -0.27 0.42 0.00 -1.32 0.00 0.00 178.16 177.01 1hmd h ALA 94 N 0.42 0.85 -0.67 1.82 0.00 -1.31 0.25 119.26 120.62 1hmd h ALA 94 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1hmd h ALA 94 Cb 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1hmd h ALA 94 CO -0.07 0.19 0.39 0.87 0.00 0.00 0.00 179.25 180.63 1hmd h LYS 95 N 0.83 0.73 -0.00 0.00 1.57 -0.77 -1.51 116.57 117.42 1hmd h LYS 95 Ca 0.26 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1hmd h LYS 95 Cb -0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1hmd h LYS 95 CO -0.09 0.48 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.36 1hmd h ASN 96 N 0.75 0.00 -0.37 0.86 4.21 -1.18 -3.08 115.58 116.77 1hmd h ASN 96 Ca 0.28 -0.41 0.08 0.00 1.21 0.00 0.00 56.30 57.46 1hmd h ASN 96 Cb 0.10 -0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.22 1hmd h ASN 96 CO -0.14 0.42 -0.19 -0.25 -1.29 0.00 0.00 177.43 175.97 1hmd h TRP 97 N -0.41 -0.48 -0.29 1.19 7.01 -0.18 -1.93 115.95 120.87 1hmd h TRP 97 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1hmd h TRP 97 Cb 0.42 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1hmd h TRP 97 CO 0.07 -0.27 0.06 1.25 -2.79 0.00 0.00 178.44 176.76 1hmd h LEU 98 N -0.13 0.44 0.05 0.65 5.85 -1.35 -0.46 115.31 120.36 1hmd h LEU 98 Ca 0.19 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1hmd h LEU 98 Cb 0.41 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1hmd h LEU 98 CO -0.45 0.57 -0.15 0.58 -0.34 0.00 0.00 178.44 178.65 1hmd h VAL 99 N 0.29 0.64 -0.77 1.05 2.07 -1.43 -2.04 116.25 116.06 1hmd h VAL 99 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1hmd h VAL 99 Cb 0.31 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1hmd h VAL 99 CO 0.00 0.00 0.32 0.78 0.02 0.00 0.00 177.57 178.70 1hmd h ASN 100 N -0.27 1.05 0.32 0.57 2.35 -1.33 -2.68 115.58 115.59 1hmd h ASN 100 Ca 0.04 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1hmd h ASN 100 Cb 0.31 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1hmd h ASN 100 CO -0.11 0.93 -0.28 -0.74 -1.65 0.00 0.00 177.43 175.58 1hmd h HIS 101 N 1.11 -0.74 0.64 1.19 2.76 -0.86 -0.68 115.15 118.57 1hmd h HIS 101 Ca 0.26 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1hmd h HIS 101 Cb 0.19 0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1hmd h HIS 101 CO 0.02 -0.41 -0.39 0.82 -1.30 0.00 0.00 177.93 176.67 1hmd h ILE 102 N -0.62 0.22 0.00 6.26 2.04 -1.39 0.11 117.51 124.13 1hmd h ILE 102 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1hmd h ILE 102 Cb 0.55 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1hmd h ILE 102 CO -0.03 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 178.22 1hmd h LYS 103 N -0.97 0.00 0.00 2.37 1.57 -1.48 0.09 116.57 118.15 1hmd h LYS 103 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1hmd h LYS 103 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1hmd h LYS 103 CO 0.09 0.01 -1.46 0.25 -0.57 0.00 0.00 179.45 177.76 1hmd n THR 104 N -3.11 0.46 -0.11 -0.16 -2.24 -0.26 -4.51 114.28 104.34 1hmd n THR 104 Ca -0.01 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1hmd n THR 104 Cb 0.21 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.54 1hmd n THR 104 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1hmd n ILE 105 N -2.71 1.55 -0.24 2.28 2.08 0.30 -3.79 119.36 118.83 1hmd n ILE 105 Ca -0.14 -0.15 -0.07 0.00 0.56 0.00 0.00 62.75 62.95 1hmd n ILE 105 Cb 0.66 -1.98 0.06 0.00 -0.75 0.00 0.00 39.64 37.62 1hmd n ILE 105 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1hmd h ASP 106 N -0.93 1.05 0.13 4.38 5.19 -1.12 -2.75 116.42 122.37 1hmd h ASP 106 Ca -0.44 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 55.72 1hmd h ASP 106 Cb 1.42 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 1hmd h ASP 106 CO -0.25 1.03 -0.05 -0.26 -3.12 0.00 0.00 179.24 176.59 1hmd h PHE 107 N 1.04 0.00 0.00 4.55 0.05 -1.16 -1.96 116.94 119.46 1hmd h PHE 107 Ca 0.21 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.99 1hmd h PHE 107 Cb 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.35 1hmd h PHE 107 CO 0.03 0.05 -0.07 0.87 -0.18 0.00 0.00 178.31 179.02 1hmd h LYS 108 N 0.00 0.00 -0.00 1.51 1.57 -1.58 -2.98 116.57 115.09 1hmd h LYS 108 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hmd h LYS 108 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1hmd h LYS 108 CO 0.01 0.07 -0.27 2.48 -0.57 0.00 0.00 179.45 181.16 1hmd n TYR 109 N -3.21 0.00 -1.68 -1.35 0.18 -0.74 -4.87 117.16 105.49 1hmd n TYR 109 Ca 0.00 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.33 1hmd n TYR 109 Cb 0.32 -0.35 -0.04 0.00 -0.38 0.00 0.00 39.34 38.89 1hmd n TYR 109 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1hmd n ARG 110 N -1.47 2.37 -0.24 -3.48 1.74 -1.13 -1.30 116.66 113.15 1hmd n ARG 110 Ca 0.07 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1hmd n ARG 110 Cb 0.33 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1hmd n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hmd n GLY 111 N 3.87 1.63 0.00 -0.13 0.00 -1.26 -4.84 105.19 104.45 1hmd n GLY 111 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1hmd n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hmd n LYS 112 N -2.00 2.09 0.00 1.61 5.02 -0.42 -5.27 118.16 119.19 1hmd n LYS 112 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1hmd n LYS 112 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1hmd n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32