#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 2.96 0.68 1.61 0.08 -1.26 -5.10 117.98 116.95 1hmd s PHE 2 Ca 0.00 -0.04 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 1hmd s PHE 2 Cb 0.00 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1hmd s PHE 2 CO 0.00 0.47 1.25 -1.25 -0.10 0.00 0.00 175.22 175.59 1hmd s PRO 3 N -2.28 2.41 -0.27 0.24 0.04 -1.26 -4.97 135.00 128.91 1hmd s PRO 3 Ca 0.25 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 1hmd s PRO 3 Cb -0.12 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1hmd s PRO 3 CO 0.18 -1.66 0.24 0.42 0.04 0.00 0.00 177.00 176.22 1hmd s ILE 4 N -1.67 5.28 0.48 0.56 -1.09 -1.26 -5.03 121.20 118.47 1hmd s ILE 4 Ca 0.78 0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 59.27 1hmd s ILE 4 Cb -0.33 -3.58 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1hmd s ILE 4 CO 0.41 0.24 1.36 -2.16 -1.23 0.00 0.00 174.94 173.56 1hmd s PRO 5 N 1.73 3.54 -0.11 2.79 0.04 -1.26 -5.02 135.00 136.71 1hmd s PRO 5 Ca 0.10 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1hmd s PRO 5 Cb -0.16 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 31.92 1hmd s PRO 5 CO 0.10 -0.87 0.04 0.34 0.04 0.00 0.00 177.00 176.64 1hmd s ASP 6 N -0.78 1.95 0.69 6.66 2.15 -1.26 -3.27 116.67 122.81 1hmd s ASP 6 Ca 0.64 -0.32 -0.15 0.00 0.43 0.00 0.00 52.55 53.15 1hmd s ASP 6 Cb -0.40 -0.38 0.02 0.00 -0.30 0.00 0.00 42.92 41.85 1hmd s ASP 6 CO 0.50 -0.26 1.16 -2.16 -0.17 0.00 0.00 175.17 174.24 1hmd s PRO 7 N 2.01 2.49 -1.02 4.34 0.04 -1.26 -5.02 135.00 136.59 1hmd s PRO 7 Ca 0.03 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.44 1hmd s PRO 7 Cb -0.14 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1hmd s PRO 7 CO -0.06 -1.53 1.88 -0.47 0.04 0.00 0.00 177.00 176.86 1hmd s TYR 8 N -2.11 1.98 -0.00 0.56 6.14 -1.20 -4.87 117.35 117.84 1hmd s TYR 8 Ca 0.71 0.31 -0.07 0.00 0.64 0.00 0.00 57.07 58.66 1hmd s TYR 8 Cb -0.25 -4.14 0.00 0.00 0.42 0.00 0.00 41.96 37.99 1hmd s TYR 8 CO 0.42 -1.62 0.13 0.00 0.64 0.00 0.00 175.55 175.13 1hmd n TRP 10 N 1.60 1.62 -4.18 0.00 -0.00 -1.26 -4.84 117.44 110.39 1hmd n TRP 10 Ca -0.22 0.43 -0.12 0.00 -0.00 0.00 0.00 57.50 57.59 1hmd n TRP 10 Cb 0.56 -2.24 -0.09 0.00 -0.00 0.00 0.00 31.31 29.53 1hmd n TRP 10 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 1hmd s ASP 11 N -1.26 0.13 0.00 5.87 1.47 -1.26 -5.04 116.67 116.58 1hmd s ASP 11 Ca 0.79 -1.33 0.13 0.00 1.18 0.00 0.00 52.55 53.31 1hmd s ASP 11 Cb -0.40 0.40 0.60 0.00 -0.34 0.00 0.00 42.92 43.18 1hmd s ASP 11 CO 0.44 -0.87 1.38 2.30 0.68 0.00 0.00 175.17 179.09 1hmd n ILE 12 N -0.28 0.90 0.39 2.11 -5.35 -1.26 -1.70 119.36 114.18 1hmd n ILE 12 Ca 0.01 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.84 1hmd n ILE 12 Cb 0.65 -1.01 0.51 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.16 7.28 4.64 -2.01 -1.95 113.55 121.67 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1hmd h SER 13 CO 0.00 0.00 -0.42 0.49 -0.87 0.00 0.00 176.83 176.03 1hmd n PHE 14 N -2.33 0.00 -1.61 4.77 3.01 -0.69 -4.98 117.46 115.64 1hmd n PHE 14 Ca 0.02 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.01 1hmd n PHE 14 Cb 0.25 -0.09 -0.04 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 -0.62 1.49 -0.00 -1.08 1.74 -0.74 -4.86 116.66 112.59 1hmd n ARG 15 Ca 0.10 0.53 0.07 0.00 -0.77 0.00 0.00 57.85 57.77 1hmd n ARG 15 Cb 0.38 -2.10 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 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 1.76 0.00 -1.00 0.55 -2.24 -1.26 -4.98 114.28 107.11 1hmd n THR 16 Ca 0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1hmd n THR 16 Cb 0.27 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.50 0.00 -3.49 4.78 3.72 -1.26 -4.93 117.46 114.78 1hmd n PHE 17 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1hmd n PHE 17 Cb 0.25 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.92 3.48 0.32 1.38 2.02 -1.26 -4.98 117.35 116.38 1hmd s TYR 18 Ca 0.00 -1.97 0.05 0.00 -0.37 0.00 0.00 57.07 54.79 1hmd s TYR 18 Cb 0.00 -3.57 0.70 0.00 -0.40 0.00 0.00 41.96 38.69 1hmd s TYR 18 CO 0.00 -0.97 1.84 1.79 -1.57 0.00 0.00 175.55 176.64 1hmd h THR 19 N 5.62 0.84 -0.37 -0.71 1.35 -1.99 0.11 112.91 117.76 1hmd h THR 19 Ca -0.11 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1hmd h THR 19 Cb 1.05 -0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 1hmd h THR 19 CO 0.84 0.15 0.23 -0.29 -0.25 0.00 0.00 175.52 176.20 1hmd h ILE 20 N 0.83 1.11 -0.04 6.82 6.09 -1.99 0.59 117.51 130.94 1hmd h ILE 20 Ca 0.50 -0.25 -0.00 0.00 -1.37 0.00 0.00 64.86 63.73 1hmd h ILE 20 Cb 0.67 0.61 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 1hmd h ILE 20 CO -0.27 0.11 0.01 0.40 -3.07 0.00 0.00 178.15 175.34 1hmd h ILE 21 N 0.49 1.16 -0.48 2.19 1.08 -1.70 -1.17 117.51 119.07 1hmd h ILE 21 Ca 0.13 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1hmd h ILE 21 Cb -0.01 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1hmd h ILE 21 CO -0.03 0.13 0.22 0.44 -0.69 0.00 0.00 178.15 178.23 1hmd h ASP 22 N -0.13 0.30 -0.77 1.72 3.32 -0.56 0.55 116.42 120.85 1hmd h ASP 22 Ca 0.01 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1hmd h ASP 22 Cb 0.20 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1hmd h ASP 22 CO -0.00 0.21 0.32 0.44 -1.72 0.00 0.00 179.24 178.49 1hmd h ASP 23 N 0.44 1.06 -0.41 6.45 3.45 -0.83 -2.38 116.42 124.19 1hmd h ASP 23 Ca 0.22 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 1hmd h ASP 23 Cb 0.15 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1hmd h ASP 23 CO -0.17 0.94 -0.04 -0.33 -1.57 0.00 0.00 179.24 178.06 1hmd h GLU 24 N 1.11 0.83 -0.77 3.56 5.08 -0.64 -3.10 114.58 120.65 1hmd h GLU 24 Ca 0.26 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1hmd h GLU 24 Cb 0.20 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1hmd h GLU 24 CO -0.02 0.86 0.48 0.45 -1.00 0.00 0.00 179.01 179.77 1hmd h HIS 25 N 0.76 0.89 -0.92 4.33 3.86 -0.60 -2.07 115.15 121.39 1hmd h HIS 25 Ca 0.14 0.03 0.20 0.00 -1.16 0.00 0.00 60.37 59.57 1hmd h HIS 25 Cb 0.52 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.63 1hmd h HIS 25 CO 0.03 0.48 0.60 0.87 0.86 0.00 0.00 177.93 180.77 1hmd h LYS 26 N 0.90 0.45 -0.00 2.45 1.57 -1.36 -0.34 116.57 120.25 1hmd h LYS 26 Ca 0.32 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1hmd h LYS 26 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1hmd h LYS 26 CO -0.14 0.30 -0.60 1.79 -0.57 0.00 0.00 179.45 180.23 1hmd h THR 27 N 0.47 1.43 -0.14 -0.16 1.35 -1.41 -1.94 112.91 112.51 1hmd h THR 27 Ca 0.48 -2.07 -0.16 0.00 -0.55 0.00 0.00 66.41 64.11 1hmd h THR 27 Cb 1.12 2.11 0.01 0.00 -1.73 0.00 0.00 68.15 69.65 1hmd h THR 27 CO -0.20 0.59 -0.56 -0.07 -0.25 0.00 0.00 175.52 175.03 1hmd h LEU 28 N 0.01 0.72 -0.25 3.87 3.38 -0.95 -1.71 115.31 120.38 1hmd h LEU 28 Ca -0.01 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.38 1hmd h LEU 28 Cb 1.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1hmd h LEU 28 CO 0.08 1.22 0.02 -0.26 0.09 0.00 0.00 178.44 179.59 1hmd h PHE 29 N 0.27 0.02 -0.67 1.13 -1.00 -1.25 -1.66 116.94 113.78 1hmd h PHE 29 Ca -0.03 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1hmd h PHE 29 Cb 1.19 0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.75 1hmd h PHE 29 CO 0.10 -0.02 0.41 -0.97 -1.61 0.00 0.00 178.31 176.22 1hmd h ASN 30 N 0.10 0.81 -0.25 2.17 -1.24 -1.34 0.37 115.58 116.19 1hmd h ASN 30 Ca 0.12 -0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.12 1hmd h ASN 30 Cb 0.14 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 1hmd h ASN 30 CO -0.18 0.63 -0.04 1.23 -1.29 0.00 0.00 177.43 177.77 1hmd h GLY 31 N 0.92 0.21 1.14 1.57 0.00 -0.96 -1.00 103.07 104.95 1hmd h GLY 31 Ca 0.24 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1hmd h GLY 31 CO -0.05 -0.08 0.05 -2.22 0.00 0.00 0.00 176.54 174.25 1hmd h ILE 32 N 0.03 1.26 -0.34 2.60 2.04 -1.06 -2.92 117.51 119.12 1hmd h ILE 32 Ca 0.12 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1hmd h ILE 32 Cb 0.17 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1hmd h ILE 32 CO -0.24 0.39 0.16 0.25 0.00 0.00 0.00 178.15 178.71 1hmd h LEU 33 N 0.96 0.22 -0.55 1.44 5.85 -0.24 -1.27 115.31 121.71 1hmd h LEU 33 Ca 0.18 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1hmd h LEU 33 Cb 0.48 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1hmd h LEU 33 CO 0.02 0.16 0.28 -0.07 -0.34 0.00 0.00 178.44 178.49 1hmd h LEU 34 N 0.33 0.39 -1.34 2.25 3.38 -1.06 -1.60 115.31 117.66 1hmd h LEU 34 Ca 0.15 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1hmd h LEU 34 Cb 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1hmd h LEU 34 CO -0.12 0.26 0.35 -0.07 0.09 0.00 0.00 178.44 178.96 1hmd h LEU 35 N 0.53 0.70 -0.92 1.67 3.38 -1.29 0.13 115.31 119.51 1hmd h LEU 35 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1hmd h LEU 35 Cb 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1hmd h LEU 35 CO -0.18 0.54 0.00 0.77 0.09 0.00 0.00 178.44 179.67 1hmd h SER 36 N 0.81 0.00 0.00 -0.43 4.64 -0.27 -3.02 113.55 115.28 1hmd h SER 36 Ca 0.21 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.18 1hmd h SER 36 Cb -0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.00 1hmd h SER 36 CO -0.04 0.00 -2.34 0.00 -0.87 0.00 0.00 176.83 173.58 1hmd n GLN 37 N -2.50 0.68 -3.45 4.77 6.02 -0.45 -4.92 117.38 117.54 1hmd n GLN 37 Ca 0.02 0.10 -0.07 0.00 -0.01 0.00 0.00 57.00 57.04 1hmd n GLN 37 Cb 0.26 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 1hmd n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hmd s ALA 38 N -2.47 -1.32 -1.15 -1.58 0.00 0.33 -5.07 121.76 110.50 1hmd s ALA 38 Ca -0.27 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 1hmd s ALA 38 Cb 0.08 -1.62 0.13 0.00 0.00 0.00 0.00 23.12 21.71 1hmd s ALA 38 CO 0.60 -1.07 1.43 0.34 0.00 0.00 0.00 175.76 177.06 1hmd s ASP 39 N 2.63 6.89 0.41 0.00 3.68 -1.16 -3.95 116.67 125.17 1hmd s ASP 39 Ca 0.08 -2.57 0.04 0.00 2.13 0.00 0.00 52.55 52.23 1hmd s ASP 39 Cb -0.14 -2.45 -0.02 0.00 -1.45 0.00 0.00 42.92 38.86 1hmd s ASP 39 CO -0.16 -0.95 0.15 0.54 0.13 0.00 0.00 175.17 174.88 1hmd s ASN 40 N 3.44 2.74 0.12 -0.34 6.03 -1.26 -5.07 114.94 120.59 1hmd s ASN 40 Ca 0.43 -1.71 -0.13 0.00 -1.03 0.00 0.00 52.86 50.41 1hmd s ASN 40 Cb -0.02 0.56 -0.04 0.00 -3.03 0.00 0.00 41.25 38.72 1hmd s ASN 40 CO -0.01 -0.97 1.50 0.00 -2.03 0.00 0.00 177.10 175.58 1hmd h ALA 41 N 1.79 0.53 -0.42 3.54 0.00 -1.98 -1.81 119.26 120.91 1hmd h ALA 41 Ca -0.34 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.25 1hmd h ALA 41 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1hmd h ALA 41 CO 0.53 0.47 0.21 -0.44 0.00 0.00 0.00 179.25 180.02 1hmd h ASP 42 N 0.59 0.30 -0.47 0.00 3.32 -1.98 -0.66 116.42 117.52 1hmd h ASP 42 Ca 0.08 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1hmd h ASP 42 Cb 0.73 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1hmd h ASP 42 CO 0.05 0.22 -0.02 0.45 -1.72 0.00 0.00 179.24 178.23 1hmd h HIS 43 N 0.42 0.93 -0.15 4.55 3.86 -1.86 -2.41 115.15 120.49 1hmd h HIS 43 Ca 0.18 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1hmd h HIS 43 Cb 0.09 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1hmd h HIS 43 CO -0.10 0.89 -0.35 1.25 0.86 0.00 0.00 177.93 180.48 1hmd h LEU 44 N 0.70 0.32 -0.45 2.43 5.85 -1.03 -1.81 115.31 121.32 1hmd h LEU 44 Ca 0.13 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1hmd h LEU 44 Cb 0.53 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1hmd h LEU 44 CO 0.03 0.65 -0.02 0.78 -0.34 0.00 0.00 178.44 179.55 1hmd h ASN 45 N 0.27 0.80 0.23 1.25 -0.26 -1.01 0.54 115.58 117.40 1hmd h ASN 45 Ca 0.03 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.44 1hmd h ASN 45 Cb 0.75 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1hmd h ASN 45 CO 0.06 0.92 -0.11 -0.08 -1.06 0.00 0.00 177.43 177.15 1hmd h GLU 46 N 0.66 -0.31 -0.10 0.81 4.57 -1.28 0.02 114.58 118.95 1hmd h GLU 46 Ca 0.13 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1hmd h GLU 46 Cb 0.52 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1hmd h GLU 46 CO 0.03 -0.20 0.05 1.25 -1.18 0.00 0.00 179.01 178.95 1hmd h LEU 47 N -0.32 0.12 -0.32 1.64 5.85 -1.23 -2.65 115.31 118.40 1hmd h LEU 47 Ca -0.03 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1hmd h LEU 47 Cb 0.24 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1hmd h LEU 47 CO 0.05 0.17 0.04 -0.09 -0.34 0.00 0.00 178.44 178.27 1hmd h ARG 48 N 0.06 0.14 0.52 1.25 9.65 -0.80 0.59 114.38 125.79 1hmd h ARG 48 Ca 0.03 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1hmd h ARG 48 Cb 0.07 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1hmd h ARG 48 CO -0.01 0.09 -0.41 -0.09 2.80 0.00 0.00 179.97 182.36 1hmd h ARG 49 N 0.15 -0.88 -0.92 0.20 2.43 -0.96 -0.31 114.38 114.09 1hmd h ARG 49 Ca 0.15 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.49 1hmd h ARG 49 Cb 0.18 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1hmd h ARG 49 CO -0.22 -0.58 0.55 0.00 -1.51 0.00 0.00 179.97 178.21 1hmd h THR 51 N 0.91 1.16 -0.70 0.00 2.02 -0.76 0.83 112.91 116.36 1hmd h THR 51 Ca 0.44 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1hmd h THR 51 Cb 0.40 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 1hmd h THR 51 CO -0.25 0.17 0.43 1.23 0.37 0.00 0.00 175.52 177.48 1hmd h GLY 52 N -0.37 1.02 0.77 2.16 0.00 -0.81 -0.35 103.07 105.49 1hmd h GLY 52 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1hmd h GLY 52 CO 0.01 0.26 -0.03 1.70 0.00 0.00 0.00 176.54 178.48 1hmd h LYS 53 N 0.84 0.29 -0.29 4.80 3.64 -1.03 -2.43 116.57 122.39 1hmd h LYS 53 Ca 0.29 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1hmd h LYS 53 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1hmd h LYS 53 CO -0.12 0.56 0.17 1.25 -2.27 0.00 0.00 179.45 179.04 1hmd h HIS 54 N -0.01 0.39 -0.97 1.91 2.76 -0.58 -1.35 115.15 117.31 1hmd h HIS 54 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1hmd h HIS 54 Cb 0.45 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 1hmd h HIS 54 CO 0.05 0.30 0.61 0.74 -1.30 0.00 0.00 177.93 178.33 1hmd h PHE 55 N 0.37 1.25 -0.19 5.26 0.04 -1.07 -0.25 116.94 122.35 1hmd h PHE 55 Ca 0.11 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1hmd h PHE 55 Cb 0.03 -0.42 -0.00 0.00 2.20 0.00 0.00 35.95 37.76 1hmd h PHE 55 CO -0.04 0.81 -0.29 1.25 -0.60 0.00 0.00 178.31 179.44 1hmd h LEU 56 N 1.33 0.58 -0.65 1.54 5.85 -1.11 -1.13 115.31 121.72 1hmd h LEU 56 Ca 0.35 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1hmd h LEU 56 Cb -0.10 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1hmd h LEU 56 CO -0.07 0.99 0.41 0.78 -0.34 0.00 0.00 178.44 180.21 1hmd h ASN 57 N 0.18 0.68 -0.63 1.25 -0.26 -1.12 -0.33 115.58 115.34 1hmd h ASN 57 Ca 0.02 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1hmd h ASN 57 Cb 0.87 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 1hmd h ASN 57 CO 0.07 0.48 0.03 -0.08 -1.06 0.00 0.00 177.43 176.87 1hmd h GLU 58 N 0.81 1.10 -0.74 0.81 4.81 -0.97 -1.54 114.58 118.87 1hmd h GLU 58 Ca 0.25 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1hmd h GLU 58 Cb -0.01 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1hmd h GLU 58 CO -0.09 1.05 0.48 1.96 -0.73 0.00 0.00 179.01 181.67 1hmd h GLN 59 N 1.01 0.93 -0.50 1.92 4.20 -0.89 -0.68 115.11 121.10 1hmd h GLN 59 Ca 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1hmd h GLN 59 Cb 0.53 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1hmd h GLN 59 CO 0.03 0.62 0.28 1.96 -0.67 0.00 0.00 178.83 181.04 1hmd h GLN 60 N 0.96 0.69 -0.62 1.46 4.20 -0.83 -0.91 115.11 120.06 1hmd h GLN 60 Ca 0.28 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.96 1hmd h GLN 60 Cb -0.06 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1hmd h GLN 60 CO -0.08 0.53 0.36 1.25 -0.67 0.00 0.00 178.83 180.22 1hmd h LEU 61 N 0.67 0.57 -0.32 1.46 5.85 -0.80 -0.88 115.31 121.86 1hmd h LEU 61 Ca 0.18 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1hmd h LEU 61 Cb 0.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1hmd h LEU 61 CO -0.03 0.39 0.18 0.24 -0.34 0.00 0.00 178.44 178.87 1hmd h MET 62 N 0.70 0.45 -0.46 1.25 2.86 -0.80 -3.05 114.93 115.88 1hmd h MET 62 Ca 0.26 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1hmd h MET 62 Cb 0.09 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1hmd h MET 62 CO -0.13 0.37 0.25 1.96 1.06 0.00 0.00 176.91 180.42 1hmd h GLN 63 N 0.40 0.63 -0.04 1.72 4.20 -0.67 -1.47 115.11 119.88 1hmd h GLN 63 Ca 0.11 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1hmd h GLN 63 Cb 0.05 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1hmd h GLN 63 CO -0.02 0.46 0.05 0.77 -0.67 0.00 0.00 178.83 179.42 1hmd h SER 64 N 0.64 0.00 -0.09 1.46 0.02 -1.05 -1.18 113.55 113.34 1hmd h SER 64 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1hmd h SER 64 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1hmd h SER 64 CO -0.03 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.46 1hmd n SER 65 N -3.83 2.64 -3.92 3.07 7.64 -1.11 -4.99 113.62 113.11 1hmd n SER 65 Ca -0.02 -2.68 -0.25 0.00 1.01 0.00 0.00 58.87 56.93 1hmd n SER 65 Cb 0.14 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 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 -0.79 -3.60 -1.66 1.43 6.02 -0.45 -4.82 117.38 113.50 1hmd n GLN 66 Ca 0.13 0.44 -0.48 0.00 -0.01 0.00 0.00 57.00 57.08 1hmd n GLN 66 Cb 0.57 -4.68 -0.05 0.00 1.02 0.00 0.00 30.24 27.10 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 -4.39 2.13 -0.06 1.08 -0.00 -0.57 -4.89 117.16 110.47 1hmd n TYR 67 Ca -0.29 0.30 0.02 0.00 -0.00 0.00 0.00 57.90 57.94 1hmd n TYR 67 Cb 0.67 -2.52 0.36 0.00 -0.00 0.00 0.00 39.34 37.85 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 6.39 1.60 -0.38 2.98 0.00 -1.91 -2.75 119.26 125.19 1hmd h ALA 68 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1hmd h ALA 68 Cb 1.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hmd h ALA 68 CO 0.88 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.90 1hmd n GLY 69 N -1.38 2.23 0.41 0.00 0.00 -1.26 -4.59 105.19 100.60 1hmd n GLY 69 Ca 0.04 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 2.54 -0.97 -0.94 1.61 5.03 -1.87 -2.30 116.97 120.06 1hmd h TYR 70 Ca 0.00 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.41 1hmd h TYR 70 Cb 1.30 0.34 -0.08 0.00 1.55 0.00 0.00 36.73 39.84 1hmd h TYR 70 CO 0.63 -0.57 0.57 0.00 -1.32 0.00 0.00 178.16 177.46 1hmd h ALA 71 N -0.67 1.39 -0.42 1.82 0.00 -1.86 0.36 119.26 119.88 1hmd h ALA 71 Ca -0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1hmd h ALA 71 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1hmd h ALA 71 CO 0.11 0.17 -0.20 0.93 0.00 0.00 0.00 179.25 180.26 1hmd h GLU 72 N 0.91 0.88 -0.03 0.00 3.07 -1.90 -1.29 114.58 116.22 1hmd h GLU 72 Ca 0.46 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1hmd h GLU 72 Cb 0.45 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1hmd h GLU 72 CO -0.26 1.03 -0.01 1.25 -1.40 0.00 0.00 179.01 179.62 1hmd h HIS 73 N 0.70 0.06 -0.75 4.33 2.76 -0.69 -2.15 115.15 119.41 1hmd h HIS 73 Ca 0.09 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1hmd h HIS 73 Cb 0.76 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 1hmd h HIS 73 CO 0.06 0.40 0.47 -0.22 -1.30 0.00 0.00 177.93 177.33 1hmd h LYS 74 N -0.30 1.00 -0.58 5.26 3.64 -0.29 -1.40 116.57 123.90 1hmd h LYS 74 Ca 0.01 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1hmd h LYS 74 Cb 0.38 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1hmd h LYS 74 CO 0.00 0.69 0.10 -0.22 -2.27 0.00 0.00 179.45 177.75 1hmd h LYS 75 N 1.02 0.93 -0.52 1.90 1.63 -1.05 -1.26 116.57 119.23 1hmd h LYS 75 Ca 0.27 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1hmd h LYS 75 Cb -0.07 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1hmd h LYS 75 CO -0.05 0.86 0.34 0.00 -3.45 0.00 0.00 179.45 177.15 1hmd h ALA 76 N 1.22 0.66 -0.24 5.00 0.00 -0.61 -2.63 119.26 122.65 1hmd h ALA 76 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1hmd h ALA 76 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1hmd h ALA 76 CO 0.01 0.10 0.13 0.45 0.00 0.00 0.00 179.25 179.94 1hmd h HIS 77 N 0.70 0.33 -0.39 0.00 3.86 -1.00 -3.02 115.15 115.64 1hmd h HIS 77 Ca 0.19 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1hmd h HIS 77 Cb -0.08 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1hmd h HIS 77 CO -0.04 0.30 0.17 -0.44 0.86 0.00 0.00 177.93 178.78 1hmd h ASP 78 N 0.27 0.48 -0.34 2.45 3.45 -1.09 -0.69 116.42 120.94 1hmd h ASP 78 Ca 0.08 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1hmd h ASP 78 Cb 0.08 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1hmd h ASP 78 CO -0.01 0.43 0.03 0.44 -1.57 0.00 0.00 179.24 178.55 1hmd h ASP 79 N 0.54 0.57 -0.36 6.45 3.45 -1.44 -1.75 116.42 123.88 1hmd h ASP 79 Ca 0.14 -0.28 -0.09 0.00 0.43 0.00 0.00 57.03 57.22 1hmd h ASP 79 Cb 0.08 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1hmd h ASP 79 CO -0.02 0.71 -0.15 0.15 -1.57 0.00 0.00 179.24 178.37 1hmd h PHE 80 N 0.41 0.84 -0.48 4.55 3.57 -1.34 -2.01 116.94 122.48 1hmd h PHE 80 Ca 0.10 -0.20 0.09 0.00 3.53 0.00 0.00 57.97 61.49 1hmd h PHE 80 Cb 0.40 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1hmd h PHE 80 CO 0.03 0.91 0.03 0.82 -2.23 0.00 0.00 178.31 177.87 1hmd h ILE 81 N 0.52 0.66 -0.76 1.41 1.08 -1.02 -1.54 117.51 117.86 1hmd h ILE 81 Ca 0.08 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1hmd h ILE 81 Cb 0.68 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 34.85 1hmd h ILE 81 CO 0.05 0.03 0.39 -0.74 -0.69 0.00 0.00 178.15 177.18 1hmd h HIS 82 N 0.14 0.70 -0.53 1.37 2.76 -1.07 0.56 115.15 119.07 1hmd h HIS 82 Ca 0.24 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1hmd h HIS 82 Cb 0.35 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1hmd h HIS 82 CO -0.28 0.25 0.17 0.87 -1.30 0.00 0.00 177.93 177.63 1hmd h LYS 83 N 0.64 0.78 -0.06 5.26 1.79 -0.59 -2.33 116.57 122.07 1hmd h LYS 83 Ca 0.38 -0.14 -0.16 0.00 -2.18 0.00 0.00 60.65 58.55 1hmd h LYS 83 Cb 0.41 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1hmd h LYS 83 CO -0.28 0.68 -0.69 -0.07 -1.08 0.00 0.00 179.45 178.01 1hmd h LEU 84 N 0.76 0.30 -0.41 2.94 3.38 -0.26 -1.84 115.31 120.19 1hmd h LEU 84 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hmd h LEU 84 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1hmd h LEU 84 CO -0.01 0.90 0.00 0.44 0.09 0.00 0.00 178.44 179.86 1hmd h ASP 85 N 0.18 0.00 -0.72 -0.43 3.45 -0.60 -2.95 116.42 115.36 1hmd h ASP 85 Ca -0.02 0.00 -0.46 0.00 0.43 0.00 0.00 57.03 56.98 1hmd h ASP 85 Cb 1.23 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 39.58 1hmd h ASP 85 CO 0.11 0.00 -0.91 0.35 -1.57 0.00 0.00 179.24 177.22 1hmd n THR 86 N -2.33 2.12 -1.52 0.35 -2.24 -0.91 -5.08 114.28 104.68 1hmd n THR 86 Ca 0.04 -3.87 -0.48 0.00 -2.27 0.00 0.00 64.05 57.47 1hmd n THR 86 Cb 0.33 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.65 0.65 -0.11 4.78 -0.00 -0.70 -4.90 117.44 116.51 1hmd n TRP 87 Ca 0.32 0.81 0.00 0.00 -0.00 0.00 0.00 57.50 58.64 1hmd n TRP 87 Cb 0.90 -2.15 0.00 0.00 -0.00 0.00 0.00 31.31 30.06 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 1.71 1.07 0.00 5.87 3.85 -1.26 -4.99 116.55 122.80 1hmd n ASP 88 Ca 0.15 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 53.04 1hmd n ASP 88 Cb 0.26 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 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 -0.09 0.66 3.56 6.12 0.00 -1.26 -4.96 105.19 109.21 1hmd n GLY 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.23 6.75 0.40 1.61 3.68 -1.26 -4.73 116.67 120.89 1hmd s ASP 90 Ca 0.00 -2.18 0.19 0.00 2.13 0.00 0.00 52.55 52.69 1hmd s ASP 90 Cb 0.00 -2.56 0.84 0.00 -1.45 0.00 0.00 42.92 39.75 1hmd s ASP 90 CO 0.00 -1.24 1.82 0.58 0.13 0.00 0.00 175.17 176.47 1hmd h VAL 91 N 5.88 0.92 -0.19 1.11 2.07 -1.97 -2.90 116.25 121.18 1hmd h VAL 91 Ca 0.36 -1.28 -0.21 0.00 0.82 0.00 0.00 66.70 66.39 1hmd h VAL 91 Cb 0.92 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1hmd h VAL 91 CO 1.42 0.32 -0.71 0.74 0.02 0.00 0.00 177.57 179.37 1hmd h THR 92 N 0.00 1.28 -0.19 2.57 2.02 -2.00 -1.37 112.91 115.22 1hmd h THR 92 Ca -0.00 -1.91 0.04 0.00 0.77 0.00 0.00 66.41 65.30 1hmd h THR 92 Cb 0.73 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 1hmd h THR 92 CO 0.04 0.61 -0.04 0.22 0.37 0.00 0.00 175.52 176.72 1hmd h TYR 93 N 0.56 -0.09 -0.50 3.16 5.03 -1.92 -2.41 116.97 120.79 1hmd h TYR 93 Ca -0.03 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1hmd h TYR 93 Cb 1.33 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.66 1hmd h TYR 93 CO 0.08 -0.08 0.10 0.00 -1.32 0.00 0.00 178.16 176.94 1hmd h ALA 94 N 1.19 0.67 -0.91 1.82 0.00 -1.42 0.51 119.26 121.11 1hmd h ALA 94 Ca 0.09 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1hmd h ALA 94 Cb 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1hmd h ALA 94 CO -0.19 0.38 0.59 0.87 0.00 0.00 0.00 179.25 180.90 1hmd h LYS 95 N 0.70 1.11 0.14 0.00 1.57 -1.13 -2.08 116.57 116.88 1hmd h LYS 95 Ca 0.16 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1hmd h LYS 95 Cb 0.36 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1hmd h LYS 95 CO 0.01 0.74 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.58 1hmd h ASN 96 N 1.14 -0.16 -0.07 0.86 -1.24 -1.36 -3.07 115.58 111.69 1hmd h ASN 96 Ca 0.37 -0.35 0.03 0.00 0.71 0.00 0.00 56.30 57.06 1hmd h ASN 96 Cb 0.01 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 1hmd h ASN 96 CO -0.12 0.30 -0.47 -0.25 -1.29 0.00 0.00 177.43 175.60 1hmd h TRP 97 N -0.66 -1.36 -0.21 0.67 7.01 -0.67 -2.27 115.95 118.46 1hmd h TRP 97 Ca -0.02 0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1hmd h TRP 97 Cb 0.49 0.60 -0.04 0.00 -2.10 0.00 0.00 29.16 28.12 1hmd h TRP 97 CO 0.07 -0.52 -0.02 1.25 -2.79 0.00 0.00 178.44 176.43 1hmd h LEU 98 N -0.57 -0.13 -0.32 0.65 5.85 -1.48 0.15 115.31 119.46 1hmd h LEU 98 Ca 0.05 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1hmd h LEU 98 Cb 0.67 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1hmd h LEU 98 CO -0.38 -0.04 -0.04 0.58 -0.34 0.00 0.00 178.44 178.23 1hmd h VAL 99 N 0.04 0.73 -0.21 1.05 2.07 -1.42 -1.72 116.25 116.78 1hmd h VAL 99 Ca 0.10 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 1hmd h VAL 99 Cb 0.14 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1hmd h VAL 99 CO -0.19 0.01 -0.29 0.78 0.02 0.00 0.00 177.57 177.90 1hmd h ASN 100 N 0.05 0.62 -0.15 0.57 4.21 -1.21 -2.52 115.58 117.16 1hmd h ASN 100 Ca 0.15 -0.51 0.05 0.00 1.21 0.00 0.00 56.30 57.20 1hmd h ASN 100 Cb 0.22 -0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 37.18 1hmd h ASN 100 CO -0.29 1.01 -0.30 -0.74 -1.29 0.00 0.00 177.43 175.82 1hmd h HIS 101 N 0.25 -0.82 0.33 1.19 2.76 -0.52 0.18 115.15 118.53 1hmd h HIS 101 Ca 0.02 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1hmd h HIS 101 Cb 0.87 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1hmd h HIS 101 CO 0.08 -0.38 -0.16 0.82 -1.30 0.00 0.00 177.93 177.00 1hmd h ILE 102 N -0.36 0.67 0.00 6.26 2.04 -1.35 0.10 117.51 124.88 1hmd h ILE 102 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1hmd h ILE 102 Cb 0.52 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1hmd h ILE 102 CO -0.36 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.08 1hmd n LYS 103 N -5.28 0.03 0.03 2.37 5.02 -0.95 -0.90 118.16 118.48 1hmd n LYS 103 Ca -0.10 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 1hmd n LYS 103 Cb 0.20 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.62 0.94 -0.05 -0.18 -2.24 0.63 -4.55 114.28 107.21 1hmd n THR 104 Ca 0.04 0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.95 1hmd n THR 104 Cb 0.20 -1.61 -0.12 0.00 -2.10 0.00 0.00 70.33 66.70 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 -0.07 1.66 -0.50 2.28 1.08 -0.97 -3.07 117.51 117.91 1hmd h ILE 105 Ca -0.01 -2.01 -0.10 0.00 -0.39 0.00 0.00 64.86 62.34 1hmd h ILE 105 Cb 0.34 3.01 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 1hmd h ILE 105 CO -0.01 0.53 -0.09 0.44 -0.69 0.00 0.00 178.15 178.33 1hmd h ASP 106 N -0.79 0.95 -0.01 1.72 5.19 -1.26 -2.98 116.42 119.24 1hmd h ASP 106 Ca -0.01 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1hmd h ASP 106 Cb 0.90 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 1hmd h ASP 106 CO 0.01 1.08 0.01 -0.26 -3.12 0.00 0.00 179.24 176.96 1hmd h PHE 107 N 0.81 0.00 -0.17 4.55 0.05 -1.07 -1.30 116.94 119.81 1hmd h PHE 107 Ca 0.13 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.87 1hmd h PHE 107 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 1hmd h PHE 107 CO 0.05 0.00 -0.13 -0.22 -0.18 0.00 0.00 178.31 177.82 1hmd h LYS 108 N 0.00 0.28 -0.00 1.51 3.64 -1.42 -2.74 116.57 117.84 1hmd h LYS 108 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1hmd h LYS 108 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1hmd h LYS 108 CO -0.00 0.42 -0.17 2.48 -2.27 0.00 0.00 179.45 179.91 1hmd n TYR 109 N -4.26 0.00 -1.71 1.91 0.18 -0.49 -4.86 117.16 107.93 1hmd n TYR 109 Ca -0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.34 1hmd n TYR 109 Cb 0.28 -0.34 -0.02 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 -1.34 2.37 -0.27 -3.48 1.74 -1.03 -1.11 116.66 113.53 1hmd n ARG 110 Ca 0.09 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1hmd n ARG 110 Cb 0.32 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 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 2.08 2.13 0.00 -0.13 0.00 -1.26 -4.82 105.19 103.19 1hmd n GLY 111 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 3.78 0.00 1.61 5.02 -0.27 -5.28 118.16 121.02 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 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1hmd n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32