#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 3.08 0.32 1.61 0.08 -1.26 -5.00 117.98 116.81 1hmd s PHE 2 Ca 0.00 1.60 -0.29 0.00 0.12 0.00 0.00 56.93 58.36 1hmd s PHE 2 Cb 0.00 -3.12 -0.10 0.00 -0.57 0.00 0.00 43.02 39.23 1hmd s PHE 2 CO 0.00 -0.83 1.27 -1.25 -0.10 0.00 0.00 175.22 174.31 1hmd s PRO 3 N -2.92 4.41 -0.36 0.24 0.05 -1.26 -5.00 135.00 130.16 1hmd s PRO 3 Ca 0.64 2.14 -0.17 0.00 0.05 0.00 0.00 61.00 63.66 1hmd s PRO 3 Cb -0.20 -3.10 -0.00 0.00 0.05 0.00 0.00 34.50 31.25 1hmd s PRO 3 CO 0.24 -0.12 0.44 0.42 0.05 0.00 0.00 177.00 178.03 1hmd s ILE 4 N -1.10 5.08 0.37 0.56 -1.09 -1.26 -5.05 121.20 118.71 1hmd s ILE 4 Ca 0.48 0.14 -0.27 0.00 -2.23 0.00 0.00 60.65 58.77 1hmd s ILE 4 Cb -0.38 -3.92 -0.12 0.00 -1.58 0.00 0.00 42.46 36.47 1hmd s ILE 4 CO 0.50 -0.19 1.31 -2.65 -1.23 0.00 0.00 174.94 172.68 1hmd n PRO 5 N 5.58 2.14 -3.67 2.79 -0.02 -1.26 -5.01 135.00 135.56 1hmd n PRO 5 Ca -0.07 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1hmd n PRO 5 Cb 0.49 -2.38 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 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 -0.34 2.11 0.78 2.55 2.15 -1.26 -3.21 116.67 119.45 1hmd s ASP 6 Ca 0.56 -0.44 -0.13 0.00 0.43 0.00 0.00 52.55 52.97 1hmd s ASP 6 Cb -0.54 -0.32 0.07 0.00 -0.30 0.00 0.00 42.92 41.82 1hmd s ASP 6 CO 0.61 -0.30 1.17 -2.16 -0.17 0.00 0.00 175.17 174.32 1hmd s PRO 7 N 2.06 1.90 -1.16 4.34 0.04 -1.26 -5.02 135.00 135.90 1hmd s PRO 7 Ca 0.02 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 1hmd s PRO 7 Cb -0.15 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1hmd s PRO 7 CO -0.07 -1.98 1.73 -0.47 0.04 0.00 0.00 177.00 176.25 1hmd s TYR 8 N -2.33 2.44 0.06 0.56 6.14 -1.20 -4.88 117.35 118.14 1hmd s TYR 8 Ca 0.70 -0.74 0.02 0.00 0.64 0.00 0.00 57.07 57.68 1hmd s TYR 8 Cb -0.25 -4.51 -0.03 0.00 0.42 0.00 0.00 41.96 37.59 1hmd s TYR 8 CO 0.50 -1.71 -0.07 0.00 0.64 0.00 0.00 175.55 174.91 1hmd s TRP 10 N -2.40 2.42 0.16 0.00 -0.00 -1.26 -4.85 118.94 113.01 1hmd s TRP 10 Ca -0.01 1.48 0.01 0.00 -0.00 0.00 0.00 56.10 57.57 1hmd s TRP 10 Cb -0.03 -3.57 -0.04 0.00 -0.00 0.00 0.00 33.47 29.82 1hmd s TRP 10 CO -0.02 -2.34 0.02 0.16 -0.00 0.00 0.00 176.95 174.77 1hmd s ASP 11 N -1.35 0.91 0.00 5.86 1.47 -1.26 -5.04 116.67 117.26 1hmd s ASP 11 Ca 0.74 -1.19 0.10 0.00 1.18 0.00 0.00 52.55 53.37 1hmd s ASP 11 Cb -0.33 0.18 0.46 0.00 -0.34 0.00 0.00 42.92 42.89 1hmd s ASP 11 CO 0.38 -0.63 1.28 2.30 0.68 0.00 0.00 175.17 179.19 1hmd n ILE 12 N -0.20 1.11 0.41 2.11 -5.35 -1.26 -0.80 119.36 115.38 1hmd n ILE 12 Ca -0.06 0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 1hmd n ILE 12 Cb 0.63 -1.11 0.48 0.00 -1.74 0.00 0.00 39.64 37.91 1hmd n ILE 12 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1hmd n SER 13 N -1.42 0.62 -0.81 7.28 3.41 -1.26 -1.63 113.62 119.81 1hmd n SER 13 Ca 0.03 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1hmd n SER 13 Cb 0.10 -0.78 0.30 0.00 -0.26 0.00 0.00 64.21 63.57 1hmd n SER 13 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1hmd n PHE 14 N -2.18 0.27 -1.76 7.33 3.01 0.02 -4.97 117.46 119.18 1hmd n PHE 14 Ca 0.02 -0.13 -0.41 0.00 1.01 0.00 0.00 57.45 57.93 1hmd n PHE 14 Cb 0.23 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.69 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 0.86 2.72 -0.01 -1.08 1.74 -0.64 -4.87 116.66 115.37 1hmd n ARG 15 Ca 0.17 0.96 0.09 0.00 -0.77 0.00 0.00 57.85 58.31 1hmd n ARG 15 Cb 0.46 -2.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.03 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 1.62 0.00 -1.03 0.55 -2.24 -1.26 -4.99 114.28 106.94 1hmd n THR 16 Ca 0.06 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1hmd n THR 16 Cb 0.38 0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.08 0.00 -3.56 4.78 3.72 -1.26 -4.91 117.46 114.16 1hmd n PHE 17 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 1hmd n PHE 17 Cb 0.46 -0.47 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.97 3.39 0.35 1.38 2.02 -1.26 -5.00 117.35 116.26 1hmd s TYR 18 Ca 0.00 -1.72 0.04 0.00 -0.37 0.00 0.00 57.07 55.03 1hmd s TYR 18 Cb 0.00 -3.33 0.69 0.00 -0.40 0.00 0.00 41.96 38.92 1hmd s TYR 18 CO 0.00 -0.94 1.97 1.79 -1.57 0.00 0.00 175.55 176.79 1hmd h THR 19 N 6.10 1.06 -0.59 -0.71 1.35 -1.99 -0.62 112.91 117.51 1hmd h THR 19 Ca -0.22 -0.28 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 1hmd h THR 19 Cb 1.08 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 1hmd h THR 19 CO 0.84 0.15 0.11 -0.29 -0.25 0.00 0.00 175.52 176.08 1hmd h ILE 20 N 0.81 1.26 0.15 6.82 2.10 -1.99 -0.96 117.51 125.70 1hmd h ILE 20 Ca 0.30 -0.96 -0.01 0.00 1.08 0.00 0.00 64.86 65.27 1hmd h ILE 20 Cb 0.16 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1hmd h ILE 20 CO -0.09 0.36 -0.07 0.40 -1.08 0.00 0.00 178.15 177.66 1hmd h ILE 21 N 0.87 0.91 -0.85 2.19 1.08 -1.80 -2.14 117.51 117.76 1hmd h ILE 21 Ca 0.18 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1hmd h ILE 21 Cb 0.40 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.13 1hmd h ILE 21 CO 0.01 0.06 0.51 0.44 -0.69 0.00 0.00 178.15 178.48 1hmd h ASP 22 N -0.31 0.78 -0.61 1.72 3.32 -1.03 0.16 116.42 120.44 1hmd h ASP 22 Ca -0.02 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1hmd h ASP 22 Cb 0.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1hmd h ASP 22 CO 0.03 0.47 0.07 0.44 -1.72 0.00 0.00 179.24 178.53 1hmd h ASP 23 N 0.90 1.01 -0.42 6.45 3.45 -1.14 -1.89 116.42 124.78 1hmd h ASP 23 Ca 0.39 -0.25 -0.10 0.00 0.43 0.00 0.00 57.03 57.49 1hmd h ASP 23 Cb 0.27 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1hmd h ASP 23 CO -0.21 1.03 -0.12 -0.33 -1.57 0.00 0.00 179.24 178.03 1hmd h GLU 24 N 0.98 0.88 -0.97 3.56 5.08 -0.80 -2.98 114.58 120.34 1hmd h GLU 24 Ca 0.19 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1hmd h GLU 24 Cb 0.47 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1hmd h GLU 24 CO 0.02 0.96 0.64 0.45 -1.00 0.00 0.00 179.01 180.07 1hmd h HIS 25 N 0.79 1.19 -0.56 4.33 3.86 -0.31 -1.44 115.15 123.02 1hmd h HIS 25 Ca 0.13 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.48 1hmd h HIS 25 Cb 0.64 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1hmd h HIS 25 CO 0.04 0.72 0.38 0.87 0.86 0.00 0.00 177.93 180.80 1hmd h LYS 26 N 1.26 0.24 0.00 2.45 1.57 -1.19 -1.03 116.57 119.87 1hmd h LYS 26 Ca 0.37 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1hmd h LYS 26 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1hmd h LYS 26 CO -0.10 0.16 -0.61 1.79 -0.57 0.00 0.00 179.45 180.12 1hmd h THR 27 N 0.25 1.32 -0.12 -0.16 1.35 -1.27 -1.83 112.91 112.46 1hmd h THR 27 Ca 0.26 -2.17 -0.23 0.00 -0.55 0.00 0.00 66.41 63.72 1hmd h THR 27 Cb 0.70 2.21 0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1hmd h THR 27 CO -0.05 0.60 -0.83 -0.07 -0.25 0.00 0.00 175.52 174.91 1hmd h LEU 28 N 0.00 0.91 0.02 3.87 3.38 -1.07 -1.16 115.31 121.26 1hmd h LEU 28 Ca -0.01 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1hmd h LEU 28 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1hmd h LEU 28 CO 0.08 1.42 -0.04 -0.26 0.09 0.00 0.00 178.44 179.73 1hmd h PHE 29 N 0.50 -0.10 -0.85 1.13 -1.00 -1.35 -2.15 116.94 113.11 1hmd h PHE 29 Ca -0.07 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.77 1hmd h PHE 29 Cb 1.46 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 41.01 1hmd h PHE 29 CO 0.09 -0.07 0.53 -0.97 -1.61 0.00 0.00 178.31 176.28 1hmd h ASN 30 N -0.08 0.85 -0.20 2.17 -1.24 -1.30 -0.64 115.58 115.13 1hmd h ASN 30 Ca 0.01 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1hmd h ASN 30 Cb 0.09 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1hmd h ASN 30 CO -0.03 0.55 0.09 1.23 -1.29 0.00 0.00 177.43 177.99 1hmd h GLY 31 N 0.99 0.27 0.93 1.57 0.00 -0.70 -1.58 103.07 104.54 1hmd h GLY 31 Ca 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1hmd h GLY 31 CO -0.16 0.06 0.10 -2.22 0.00 0.00 0.00 176.54 174.32 1hmd h ILE 32 N 0.21 1.22 -0.57 2.60 2.04 -1.17 -2.73 117.51 119.11 1hmd h ILE 32 Ca 0.08 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.28 1hmd h ILE 32 Cb 0.03 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1hmd h ILE 32 CO -0.06 0.26 0.19 0.25 0.00 0.00 0.00 178.15 178.78 1hmd h LEU 33 N 0.46 0.16 -0.31 1.44 5.85 -0.96 -0.51 115.31 121.45 1hmd h LEU 33 Ca 0.12 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1hmd h LEU 33 Cb 0.29 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1hmd h LEU 33 CO -0.00 0.11 0.05 -0.07 -0.34 0.00 0.00 178.44 178.18 1hmd h LEU 34 N 0.36 -0.02 -1.59 2.25 3.38 -1.17 -1.34 115.31 117.17 1hmd h LEU 34 Ca 0.29 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1hmd h LEU 34 Cb 0.36 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1hmd h LEU 34 CO -0.31 0.03 0.31 -0.07 0.09 0.00 0.00 178.44 178.49 1hmd h LEU 35 N 0.15 0.46 -1.14 1.67 3.38 -1.08 -0.62 115.31 118.13 1hmd h LEU 35 Ca 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1hmd h LEU 35 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1hmd h LEU 35 CO -0.20 0.32 -0.07 0.77 0.09 0.00 0.00 178.44 179.35 1hmd h SER 36 N 0.54 0.49 0.01 -0.43 4.64 -0.27 -2.99 113.55 115.54 1hmd h SER 36 Ca 0.18 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1hmd h SER 36 Cb 0.07 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1hmd h SER 36 CO -0.05 0.61 -0.24 1.56 -0.87 0.00 0.00 176.83 177.85 1hmd h GLN 37 N 0.49 0.14 -2.46 4.77 4.20 -0.10 -3.45 115.11 118.70 1hmd h GLN 37 Ca 0.10 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1hmd h GLN 37 Cb 0.42 0.05 -0.29 0.00 0.30 0.00 0.00 27.48 27.96 1hmd h GLN 37 CO 0.02 0.96 -0.44 0.00 -0.67 0.00 0.00 178.83 178.70 1hmd s ALA 38 N -2.88 -0.98 -0.99 3.87 0.00 -0.43 -5.08 121.76 115.26 1hmd s ALA 38 Ca -0.16 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1hmd s ALA 38 Cb -0.00 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.85 1hmd s ALA 38 CO 0.74 -0.85 1.38 0.34 0.00 0.00 0.00 175.76 177.37 1hmd s ASP 39 N 2.55 6.51 0.35 0.00 3.68 -1.14 -4.22 116.67 124.38 1hmd s ASP 39 Ca 0.02 -1.51 0.04 0.00 2.13 0.00 0.00 52.55 53.23 1hmd s ASP 39 Cb -0.13 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 38.77 1hmd s ASP 39 CO -0.12 -1.44 0.15 0.54 0.13 0.00 0.00 175.17 174.43 1hmd s ASN 40 N 4.69 2.06 0.19 -0.34 6.03 -1.26 -5.07 114.94 121.23 1hmd s ASN 40 Ca 0.43 -1.61 -0.07 0.00 -1.03 0.00 0.00 52.86 50.58 1hmd s ASN 40 Cb -0.01 0.41 0.10 0.00 -3.03 0.00 0.00 41.25 38.72 1hmd s ASN 40 CO -0.09 -0.90 1.59 0.00 -2.03 0.00 0.00 177.10 175.68 1hmd h ALA 41 N 2.05 0.79 0.03 3.54 0.00 -1.99 -1.66 119.26 122.03 1hmd h ALA 41 Ca -0.34 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1hmd h ALA 41 Cb 1.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1hmd h ALA 41 CO 0.53 0.65 -0.18 -0.44 0.00 0.00 0.00 179.25 179.81 1hmd h ASP 42 N 0.77 -0.53 -0.67 0.00 3.32 -1.97 0.25 116.42 117.59 1hmd h ASP 42 Ca 0.11 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1hmd h ASP 42 Cb 0.76 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1hmd h ASP 42 CO 0.06 -0.25 0.16 0.45 -1.72 0.00 0.00 179.24 177.93 1hmd h HIS 43 N -0.32 1.14 -0.36 4.55 3.86 -1.85 -2.00 115.15 120.17 1hmd h HIS 43 Ca 0.05 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1hmd h HIS 43 Cb 0.37 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1hmd h HIS 43 CO -0.22 0.94 0.13 1.25 0.86 0.00 0.00 177.93 180.89 1hmd h LEU 44 N 1.01 0.51 -0.35 2.43 5.85 -1.01 -2.14 115.31 121.62 1hmd h LEU 44 Ca 0.21 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1hmd h LEU 44 Cb 0.38 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1hmd h LEU 44 CO 0.00 0.56 0.05 0.78 -0.34 0.00 0.00 178.44 179.50 1hmd h ASN 45 N 0.43 -0.03 -0.08 1.25 -0.26 -0.92 0.22 115.58 116.19 1hmd h ASN 45 Ca 0.12 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.95 1hmd h ASN 45 Cb 0.23 0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 1hmd h ASN 45 CO -0.01 0.02 -0.07 -0.08 -1.06 0.00 0.00 177.43 176.23 1hmd h GLU 46 N 0.16 -0.09 -0.24 0.81 4.57 -1.22 -0.61 114.58 117.96 1hmd h GLU 46 Ca 0.17 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1hmd h GLU 46 Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1hmd h GLU 46 CO -0.23 -0.06 0.10 1.25 -1.18 0.00 0.00 179.01 178.89 1hmd h LEU 47 N -0.09 0.33 -0.56 1.64 5.85 -1.05 -2.36 115.31 119.07 1hmd h LEU 47 Ca 0.06 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1hmd h LEU 47 Cb 0.17 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1hmd h LEU 47 CO -0.13 0.38 0.33 -0.09 -0.34 0.00 0.00 178.44 178.59 1hmd h ARG 48 N 0.25 0.62 0.48 1.25 9.65 -0.47 0.11 114.38 126.27 1hmd h ARG 48 Ca 0.08 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1hmd h ARG 48 Cb 0.15 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1hmd h ARG 48 CO -0.01 0.41 -0.24 -0.09 2.80 0.00 0.00 179.97 182.84 1hmd h ARG 49 N 0.64 -0.64 -0.80 0.20 2.43 -1.07 -1.29 114.38 113.85 1hmd h ARG 49 Ca 0.23 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1hmd h ARG 49 Cb 0.06 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1hmd h ARG 49 CO -0.11 -0.43 0.53 0.00 -1.51 0.00 0.00 179.97 178.45 1hmd h THR 51 N 1.02 1.25 -0.58 0.00 2.02 -0.72 -0.54 112.91 115.36 1hmd h THR 51 Ca 0.31 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1hmd h THR 51 Cb -0.02 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 1hmd h THR 51 CO -0.08 0.27 0.27 1.23 0.37 0.00 0.00 175.52 177.58 1hmd h GLY 52 N -0.57 0.83 0.69 2.16 0.00 -1.05 -1.04 103.07 104.09 1hmd h GLY 52 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1hmd h GLY 52 CO 0.01 0.07 -0.04 1.70 0.00 0.00 0.00 176.54 178.28 1hmd h LYS 53 N 0.50 -0.10 -0.19 4.80 3.64 -1.25 -2.36 116.57 121.61 1hmd h LYS 53 Ca 0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1hmd h LYS 53 Cb 0.24 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1hmd h LYS 53 CO -0.22 0.21 0.12 1.25 -2.27 0.00 0.00 179.45 178.54 1hmd h HIS 54 N -0.42 0.25 -0.68 1.91 2.76 -0.95 -1.11 115.15 116.92 1hmd h HIS 54 Ca -0.01 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1hmd h HIS 54 Cb 0.36 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.18 1hmd h HIS 54 CO 0.03 0.18 0.40 0.74 -1.30 0.00 0.00 177.93 177.98 1hmd h PHE 55 N 0.25 0.74 -0.17 5.26 0.04 -1.22 0.27 116.94 122.11 1hmd h PHE 55 Ca 0.07 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1hmd h PHE 55 Cb -0.00 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1hmd h PHE 55 CO -0.06 0.38 -0.01 1.25 -0.60 0.00 0.00 178.31 179.28 1hmd h LEU 56 N 0.75 0.29 -0.52 1.54 5.85 -1.27 -1.09 115.31 120.86 1hmd h LEU 56 Ca 0.29 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hmd h LEU 56 Cb 0.12 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1hmd h LEU 56 CO -0.15 0.54 0.34 0.78 -0.34 0.00 0.00 178.44 179.61 1hmd h ASN 57 N 0.04 0.58 -0.73 1.25 -0.26 -0.74 -0.63 115.58 115.09 1hmd h ASN 57 Ca 0.05 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1hmd h ASN 57 Cb 0.40 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1hmd h ASN 57 CO 0.01 0.42 0.24 -0.08 -1.06 0.00 0.00 177.43 176.96 1hmd h GLU 58 N 0.69 1.13 -0.83 0.81 4.81 -0.42 -2.15 114.58 118.62 1hmd h GLU 58 Ca 0.19 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1hmd h GLU 58 Cb -0.07 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1hmd h GLU 58 CO -0.05 0.96 0.53 1.96 -0.73 0.00 0.00 179.01 181.68 1hmd h GLN 59 N 1.07 1.11 -0.23 1.92 4.20 -0.72 -1.52 115.11 120.94 1hmd h GLN 59 Ca 0.24 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1hmd h GLN 59 Cb 0.29 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1hmd h GLN 59 CO -0.01 0.76 0.13 1.96 -0.67 0.00 0.00 178.83 181.00 1hmd h GLN 60 N 1.13 0.32 -0.87 1.46 7.50 -0.94 -1.05 115.11 122.67 1hmd h GLN 60 Ca 0.30 -0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.43 1hmd h GLN 60 Cb -0.09 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.33 1hmd h GLN 60 CO -0.06 0.30 0.58 1.25 -1.50 0.00 0.00 178.83 179.39 1hmd h LEU 61 N 0.27 0.99 -0.29 1.46 5.85 -1.05 -1.92 115.31 120.61 1hmd h LEU 61 Ca 0.08 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1hmd h LEU 61 Cb 0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1hmd h LEU 61 CO -0.01 0.71 0.14 0.24 -0.34 0.00 0.00 178.44 179.18 1hmd h MET 62 N 1.17 0.42 0.00 1.25 2.86 -1.04 -2.88 114.93 116.71 1hmd h MET 62 Ca 0.32 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1hmd h MET 62 Cb -0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1hmd h MET 62 CO -0.07 0.40 -0.29 1.96 1.06 0.00 0.00 176.91 179.96 1hmd h GLN 63 N 0.34 0.00 0.00 1.72 4.20 -0.84 -0.12 115.11 120.40 1hmd h GLN 63 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1hmd h GLN 63 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1hmd h GLN 63 CO -0.01 0.29 -0.06 0.77 -0.67 0.00 0.00 178.83 179.15 1hmd h SER 64 N 0.00 0.00 -0.19 1.46 0.02 -1.12 -0.35 113.55 113.36 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 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1hmd h SER 64 CO 0.04 0.06 0.00 -1.20 -1.14 0.00 0.00 176.83 174.59 1hmd n SER 65 N -3.58 3.05 -3.94 3.07 7.64 -1.11 -4.98 113.62 113.78 1hmd n SER 65 Ca -0.02 -2.63 -0.29 0.00 1.01 0.00 0.00 58.87 56.94 1hmd n SER 65 Cb 0.17 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 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 -0.44 -4.73 -1.63 1.43 6.02 -0.14 -4.82 117.38 113.06 1hmd n GLN 66 Ca 0.15 0.54 -0.57 0.00 -0.01 0.00 0.00 57.00 57.10 1hmd n GLN 66 Cb 0.63 -5.25 -0.07 0.00 1.02 0.00 0.00 30.24 26.57 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 -4.53 1.55 0.22 1.08 -0.00 -0.08 -4.87 117.16 110.53 1hmd n TYR 67 Ca -0.05 0.75 0.07 0.00 -0.00 0.00 0.00 57.90 58.67 1hmd n TYR 67 Cb 0.56 -2.31 0.52 0.00 -0.00 0.00 0.00 39.34 38.11 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 5.14 1.35 -0.54 2.98 0.00 -1.90 -2.75 119.26 123.54 1hmd h ALA 68 Ca -0.47 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1hmd h ALA 68 Cb 1.35 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1hmd h ALA 68 CO 0.84 0.31 0.10 0.41 0.00 0.00 0.00 179.25 180.90 1hmd n GLY 69 N -0.54 2.98 0.07 0.00 0.00 -1.26 -4.60 105.19 101.84 1hmd n GLY 69 Ca -0.02 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 2.86 0.13 -0.04 1.61 5.03 -1.87 -2.36 116.97 122.32 1hmd h TYR 70 Ca 0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1hmd h TYR 70 Cb 1.88 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 40.12 1hmd h TYR 70 CO 0.99 0.12 0.02 0.00 -1.32 0.00 0.00 178.16 177.97 1hmd h ALA 71 N 1.00 0.05 -0.16 1.82 0.00 -1.85 0.39 119.26 120.51 1hmd h ALA 71 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1hmd h ALA 71 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1hmd h ALA 71 CO -0.01 -0.44 -0.08 0.93 0.00 0.00 0.00 179.25 179.65 1hmd h GLU 72 N 0.03 0.24 -0.17 0.00 4.39 -1.90 -2.58 114.58 114.59 1hmd h GLU 72 Ca 0.01 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1hmd h GLU 72 Cb 0.02 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1hmd h GLU 72 CO -0.00 0.33 -0.51 1.25 -1.16 0.00 0.00 179.01 178.92 1hmd h HIS 73 N 0.23 0.83 -0.69 4.33 2.76 -0.82 -2.88 115.15 118.91 1hmd h HIS 73 Ca 0.05 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 57.86 1hmd h HIS 73 Cb 0.30 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1hmd h HIS 73 CO 0.00 1.12 0.34 -0.22 -1.30 0.00 0.00 177.93 177.87 1hmd h LYS 74 N 0.31 0.98 -0.87 5.26 3.64 -0.00 -2.29 116.57 123.60 1hmd h LYS 74 Ca -0.02 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1hmd h LYS 74 Cb 1.13 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 1hmd h LYS 74 CO 0.11 0.76 0.58 -0.22 -2.27 0.00 0.00 179.45 178.40 1hmd h LYS 75 N 0.98 1.13 -0.53 1.90 1.63 -1.46 0.72 116.57 120.95 1hmd h LYS 75 Ca 0.24 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.86 1hmd h LYS 75 Cb 0.09 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 1hmd h LYS 75 CO -0.03 0.75 -0.13 0.00 -3.45 0.00 0.00 179.45 176.58 1hmd h ALA 76 N 1.33 0.73 -0.10 5.00 0.00 -1.20 -2.26 119.26 122.75 1hmd h ALA 76 Ca 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1hmd h ALA 76 Cb -0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1hmd h ALA 76 CO -0.08 0.66 0.04 0.45 0.00 0.00 0.00 179.25 180.32 1hmd h HIS 77 N 0.89 0.15 -0.93 0.00 3.86 -1.13 -2.88 115.15 115.12 1hmd h HIS 77 Ca 0.13 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1hmd h HIS 77 Cb 0.71 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 1hmd h HIS 77 CO 0.05 0.25 0.61 -0.44 0.86 0.00 0.00 177.93 179.25 1hmd h ASP 78 N 0.00 1.02 -0.35 2.45 3.45 -0.74 -1.42 116.42 120.84 1hmd h ASP 78 Ca 0.03 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 1hmd h ASP 78 Cb 0.16 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1hmd h ASP 78 CO -0.00 0.72 -0.06 0.44 -1.57 0.00 0.00 179.24 178.76 1hmd h ASP 79 N 1.20 0.74 -0.10 6.45 3.45 -1.37 -0.82 116.42 125.96 1hmd h ASP 79 Ca 0.36 -0.20 -0.16 0.00 0.43 0.00 0.00 57.03 57.46 1hmd h ASP 79 Cb -0.05 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 1hmd h ASP 79 CO -0.10 0.84 -0.52 0.15 -1.57 0.00 0.00 179.24 178.04 1hmd h PHE 80 N 0.70 0.84 -0.38 4.55 3.57 -1.19 -1.35 116.94 123.67 1hmd h PHE 80 Ca 0.13 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.35 1hmd h PHE 80 Cb 0.52 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1hmd h PHE 80 CO 0.03 1.05 0.25 0.82 -2.23 0.00 0.00 178.31 178.23 1hmd h ILE 81 N 0.53 1.09 -0.68 1.41 1.08 -0.97 -1.67 117.51 118.29 1hmd h ILE 81 Ca 0.02 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.37 1hmd h ILE 81 Cb 1.08 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.31 1hmd h ILE 81 CO 0.11 0.09 0.38 -0.74 -0.69 0.00 0.00 178.15 177.30 1hmd h HIS 82 N 0.51 0.71 -0.62 1.37 2.76 -0.83 -0.01 115.15 119.05 1hmd h HIS 82 Ca 0.14 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1hmd h HIS 82 Cb -0.05 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 1hmd h HIS 82 CO -0.05 0.34 0.36 0.87 -1.30 0.00 0.00 177.93 178.15 1hmd h LYS 83 N 0.71 0.68 -0.08 5.26 1.79 -0.80 -1.58 116.57 122.54 1hmd h LYS 83 Ca 0.30 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.63 1hmd h LYS 83 Cb 0.18 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1hmd h LYS 83 CO -0.18 0.45 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.16 1hmd h LEU 84 N 0.70 0.19 -0.65 2.94 3.38 -0.68 -1.81 115.31 119.38 1hmd h LEU 84 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1hmd h LEU 84 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1hmd h LEU 84 CO -0.13 0.59 0.00 0.44 0.09 0.00 0.00 178.44 179.43 1hmd h ASP 85 N 0.15 0.00 -0.78 -0.43 3.45 -0.36 -3.02 116.42 115.43 1hmd h ASP 85 Ca 0.01 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 57.00 1hmd h ASP 85 Cb 0.80 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 39.15 1hmd h ASP 85 CO 0.06 0.00 -0.89 0.35 -1.57 0.00 0.00 179.24 177.19 1hmd n THR 86 N -2.54 2.16 -1.62 0.35 -2.24 -0.66 -5.09 114.28 104.65 1hmd n THR 86 Ca 0.03 -3.96 -0.59 0.00 -2.27 0.00 0.00 64.05 57.25 1hmd n THR 86 Cb 0.32 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.63 1.39 0.25 4.78 -0.00 -0.71 -4.88 117.44 117.64 1hmd n TRP 87 Ca 0.34 0.89 0.07 0.00 -0.00 0.00 0.00 57.50 58.79 1hmd n TRP 87 Cb 0.89 -2.25 0.10 0.00 -0.00 0.00 0.00 31.31 30.05 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 3.09 2.49 0.00 5.87 3.85 -1.26 -4.97 116.55 125.61 1hmd n ASP 88 Ca 0.24 -1.73 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1hmd n ASP 88 Cb 0.08 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 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 0.72 0.87 3.55 6.12 0.00 -1.26 -4.97 105.19 110.21 1hmd n GLY 89 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.81 6.56 0.27 1.61 3.68 -1.26 -4.77 116.67 119.95 1hmd s ASP 90 Ca 0.00 -1.64 0.03 0.00 2.13 0.00 0.00 52.55 53.06 1hmd s ASP 90 Cb 0.00 -2.55 0.39 0.00 -1.45 0.00 0.00 42.92 39.31 1hmd s ASP 90 CO 0.00 -1.41 1.69 0.58 0.13 0.00 0.00 175.17 176.16 1hmd h VAL 91 N 6.53 1.28 -0.40 1.11 2.07 -1.96 -2.95 116.25 121.94 1hmd h VAL 91 Ca 0.22 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1hmd h VAL 91 Cb 1.00 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1hmd h VAL 91 CO 1.39 0.43 0.26 0.74 0.02 0.00 0.00 177.57 180.41 1hmd h THR 92 N 0.37 1.11 -0.10 2.57 2.02 -2.00 0.42 112.91 117.30 1hmd h THR 92 Ca 0.04 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1hmd h THR 92 Cb 0.76 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 1hmd h THR 92 CO 0.06 0.11 -0.20 0.22 0.37 0.00 0.00 175.52 176.08 1hmd h TYR 93 N 0.54 -0.52 -0.53 3.16 5.03 -1.93 -2.12 116.97 120.61 1hmd h TYR 93 Ca 0.15 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.50 1hmd h TYR 93 Cb -0.04 0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 1hmd h TYR 93 CO -0.04 -0.28 0.33 0.00 -1.32 0.00 0.00 178.16 176.85 1hmd h ALA 94 N 0.71 0.67 -0.42 1.82 0.00 -1.35 0.36 119.26 121.05 1hmd h ALA 94 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1hmd h ALA 94 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hmd h ALA 94 CO -0.25 0.06 0.27 0.87 0.00 0.00 0.00 179.25 180.19 1hmd h LYS 95 N 0.66 0.53 -0.07 0.00 1.57 -0.73 -1.99 116.57 116.54 1hmd h LYS 95 Ca 0.20 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1hmd h LYS 95 Cb -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1hmd h LYS 95 CO -0.07 0.35 0.02 -0.91 -0.57 0.00 0.00 179.45 178.27 1hmd h ASN 96 N 0.54 0.10 -0.35 0.86 4.21 -1.27 -3.00 115.58 116.67 1hmd h ASN 96 Ca 0.16 -0.18 0.06 0.00 1.21 0.00 0.00 56.30 57.55 1hmd h ASN 96 Cb -0.04 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.08 1hmd h ASN 96 CO -0.05 0.25 0.02 -0.25 -1.29 0.00 0.00 177.43 176.11 1hmd h TRP 97 N -0.07 0.01 -0.30 1.19 7.01 0.13 -2.12 115.95 121.81 1hmd h TRP 97 Ca 0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 1hmd h TRP 97 Cb 0.19 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1hmd h TRP 97 CO -0.01 -0.05 -0.01 1.25 -2.79 0.00 0.00 178.44 176.83 1hmd h LEU 98 N 0.12 0.54 -0.07 0.65 5.85 -1.41 0.23 115.31 121.20 1hmd h LEU 98 Ca 0.17 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1hmd h LEU 98 Cb 0.23 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1hmd h LEU 98 CO -0.27 0.73 -0.14 0.58 -0.34 0.00 0.00 178.44 178.99 1hmd h VAL 99 N 0.33 0.63 -0.60 1.05 2.07 -1.37 -1.85 116.25 116.52 1hmd h VAL 99 Ca 0.08 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1hmd h VAL 99 Cb 0.46 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1hmd h VAL 99 CO 0.02 0.00 -0.02 0.78 0.02 0.00 0.00 177.57 178.37 1hmd h ASN 100 N -0.20 1.05 -0.01 0.57 4.21 -1.34 -2.61 115.58 117.25 1hmd h ASN 100 Ca 0.07 -0.31 0.01 0.00 1.21 0.00 0.00 56.30 57.28 1hmd h ASN 100 Cb 0.31 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1hmd h ASN 100 CO -0.19 1.11 -0.04 -0.74 -1.29 0.00 0.00 177.43 176.28 1hmd h HIS 101 N 0.96 -0.10 0.14 1.19 2.76 -0.65 -0.78 115.15 118.66 1hmd h HIS 101 Ca 0.17 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1hmd h HIS 101 Cb 0.58 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1hmd h HIS 101 CO 0.04 -0.07 -0.06 0.82 -1.30 0.00 0.00 177.93 177.36 1hmd h ILE 102 N -0.07 0.93 0.00 6.26 2.04 -1.35 -1.10 117.51 124.21 1hmd h ILE 102 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1hmd h ILE 102 Cb 0.10 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1hmd h ILE 102 CO -0.05 0.06 0.00 0.29 0.00 0.00 0.00 178.15 178.45 1hmd n LYS 103 N -5.12 0.10 -0.02 2.37 5.02 -0.99 -0.97 118.16 118.56 1hmd n LYS 103 Ca -0.08 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 1hmd n LYS 103 Cb 0.14 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 1hmd n LYS 103 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hmd n THR 104 N -1.84 0.34 -0.08 -0.18 -2.24 -0.30 -4.59 114.28 105.39 1hmd n THR 104 Ca 0.05 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1hmd n THR 104 Cb 0.30 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 66.86 1hmd n THR 104 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1hmd h ILE 105 N -0.19 1.05 -0.67 2.28 1.08 -1.39 -3.27 117.51 116.41 1hmd h ILE 105 Ca -0.12 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.37 1hmd h ILE 105 Cb 1.07 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.93 1hmd h ILE 105 CO -0.08 0.36 0.32 0.44 -0.69 0.00 0.00 178.15 178.50 1hmd h ASP 106 N -1.00 0.88 -0.14 1.72 5.19 -1.09 -2.68 116.42 119.30 1hmd h ASP 106 Ca -0.11 -0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1hmd h ASP 106 Cb 0.89 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1hmd h ASP 106 CO -0.07 0.77 0.15 -0.26 -3.12 0.00 0.00 179.24 176.71 1hmd h PHE 107 N 0.93 0.00 0.00 4.55 0.05 -1.19 -1.66 116.94 119.63 1hmd h PHE 107 Ca 0.23 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.98 1hmd h PHE 107 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 1hmd h PHE 107 CO 0.00 0.00 -0.20 0.87 -0.18 0.00 0.00 178.31 178.81 1hmd h LYS 108 N 0.00 0.00 -0.00 1.51 1.57 -1.52 -2.66 116.57 115.47 1hmd h LYS 108 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1hmd h LYS 108 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1hmd h LYS 108 CO -0.00 0.20 -0.13 2.48 -0.57 0.00 0.00 179.45 181.43 1hmd n TYR 109 N -4.11 0.00 -1.70 -1.35 0.18 -0.62 -4.87 117.16 104.69 1hmd n TYR 109 Ca -0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.32 1hmd n TYR 109 Cb 0.27 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 39.00 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 -0.99 2.60 -0.88 -3.48 1.74 -1.01 -1.17 116.66 113.46 1hmd n ARG 110 Ca 0.14 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 1hmd n ARG 110 Cb 0.29 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 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 3.94 0.89 0.00 -0.13 0.00 -1.26 -4.83 105.19 103.80 1hmd n GLY 111 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.11 5.64 0.00 1.61 5.02 -0.32 -5.27 118.16 122.73 1hmd n LYS 112 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hmd n LYS 112 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 1hmd n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32