#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 3.52 0.37 1.61 0.08 -1.26 -5.05 117.98 117.24 1hmd s PHE 2 Ca 0.00 0.67 -0.28 0.00 0.12 0.00 0.00 56.93 57.45 1hmd s PHE 2 Cb 0.00 -2.16 -0.10 0.00 -0.57 0.00 0.00 43.02 40.19 1hmd s PHE 2 CO 0.00 -0.05 1.34 -1.25 -0.10 0.00 0.00 175.22 175.16 1hmd s PRO 3 N -4.26 4.17 -0.34 0.24 0.04 -1.26 -4.98 135.00 128.62 1hmd s PRO 3 Ca 0.45 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.56 1hmd s PRO 3 Cb -0.10 -2.94 -0.00 0.00 0.04 0.00 0.00 34.50 31.49 1hmd s PRO 3 CO 0.38 -0.36 0.56 0.42 0.04 0.00 0.00 177.00 178.04 1hmd s ILE 4 N -1.18 4.97 0.54 0.56 -1.09 -1.26 -5.04 121.20 118.70 1hmd s ILE 4 Ca 0.52 0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 59.26 1hmd s ILE 4 Cb -0.40 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.42 1hmd s ILE 4 CO 0.53 -0.21 1.12 -2.65 -1.23 0.00 0.00 174.94 172.50 1hmd n PRO 5 N 5.83 1.30 -3.57 2.79 -0.02 -1.26 -5.00 135.00 135.07 1hmd n PRO 5 Ca -0.03 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.77 1hmd n PRO 5 Cb 0.49 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.99 0.96 0.77 2.55 2.15 -1.26 -3.35 116.67 117.49 1hmd s ASP 6 Ca 0.71 0.12 -0.13 0.00 0.43 0.00 0.00 52.55 53.67 1hmd s ASP 6 Cb -0.45 0.45 0.06 0.00 -0.30 0.00 0.00 42.92 42.68 1hmd s ASP 6 CO 0.50 -0.29 1.17 -2.16 -0.17 0.00 0.00 175.17 174.23 1hmd s PRO 7 N 2.35 1.95 -1.23 4.34 0.04 -1.26 -5.02 135.00 136.17 1hmd s PRO 7 Ca 0.05 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1hmd s PRO 7 Cb -0.14 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1hmd s PRO 7 CO -0.10 -1.94 1.86 -0.47 0.04 0.00 0.00 177.00 176.38 1hmd s TYR 8 N -2.28 2.28 0.02 0.56 6.14 -1.21 -4.86 117.35 117.99 1hmd s TYR 8 Ca 0.70 -0.36 -0.01 0.00 0.64 0.00 0.00 57.07 58.05 1hmd s TYR 8 Cb -0.25 -4.30 -0.02 0.00 0.42 0.00 0.00 41.96 37.81 1hmd s TYR 8 CO 0.49 -1.44 -0.01 0.00 0.64 0.00 0.00 175.55 175.23 1hmd n TRP 10 N 1.69 1.82 -4.23 0.00 -0.00 -1.26 -4.85 117.44 110.61 1hmd n TRP 10 Ca -0.23 0.44 -0.13 0.00 -0.00 0.00 0.00 57.50 57.59 1hmd n TRP 10 Cb 0.55 -2.29 -0.10 0.00 -0.00 0.00 0.00 31.31 29.47 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 -1.01 0.80 0.11 5.87 1.47 -1.26 -5.05 116.67 117.60 1hmd s ASP 11 Ca 0.73 -1.26 0.17 0.00 1.18 0.00 0.00 52.55 53.36 1hmd s ASP 11 Cb -0.43 0.22 0.72 0.00 -0.34 0.00 0.00 42.92 43.09 1hmd s ASP 11 CO 0.49 -0.69 1.52 2.30 0.68 0.00 0.00 175.17 179.47 1hmd n ILE 12 N -0.25 1.04 0.34 2.11 -5.35 -1.26 -1.30 119.36 114.69 1hmd n ILE 12 Ca -0.04 0.30 0.09 0.00 -0.27 0.00 0.00 62.75 62.84 1hmd n ILE 12 Cb 0.64 -1.16 0.40 0.00 -1.74 0.00 0.00 39.64 37.79 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 -1.81 0.39 -0.47 7.28 3.41 -1.26 -1.21 113.62 119.95 1hmd n SER 13 Ca 0.02 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1hmd n SER 13 Cb 0.16 -0.69 0.18 0.00 -0.26 0.00 0.00 64.21 63.60 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 -1.95 0.00 -1.63 7.33 3.01 -0.42 -4.97 117.46 118.83 1hmd n PHE 14 Ca 0.02 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.00 1hmd n PHE 14 Cb 0.15 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.06 1.61 -0.00 -1.08 1.74 -0.35 -4.88 116.66 113.64 1hmd n ARG 15 Ca 0.12 0.58 0.07 0.00 -0.77 0.00 0.00 57.85 57.85 1hmd n ARG 15 Cb 0.43 -2.18 -0.10 0.00 -1.02 0.00 0.00 32.46 29.59 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 1.96 0.00 -1.01 0.55 -2.24 -1.26 -4.99 114.28 107.29 1hmd n THR 16 Ca 0.14 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1hmd n THR 16 Cb 0.27 0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.69 0.00 -3.72 4.78 3.72 -1.26 -4.91 117.46 114.37 1hmd n PHE 17 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1hmd n PHE 17 Cb 0.32 -0.29 -0.11 0.00 -0.94 0.00 0.00 39.48 38.46 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 3.55 0.26 1.38 2.02 -1.26 -4.99 117.35 116.39 1hmd s TYR 18 Ca 0.00 -2.31 -0.02 0.00 -0.37 0.00 0.00 57.07 54.37 1hmd s TYR 18 Cb 0.00 -3.29 0.45 0.00 -0.40 0.00 0.00 41.96 38.72 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 6.26 0.98 -0.68 -0.71 1.35 -1.99 0.91 112.91 119.03 1hmd h THR 19 Ca -0.14 -0.34 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 1hmd h THR 19 Cb 1.05 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 1hmd h THR 19 CO 0.73 0.18 0.15 -0.29 -0.25 0.00 0.00 175.52 176.05 1hmd h ILE 20 N 0.99 1.26 -0.16 6.82 2.10 -1.99 0.19 117.51 126.72 1hmd h ILE 20 Ca 0.44 -0.98 -0.04 0.00 1.08 0.00 0.00 64.86 65.36 1hmd h ILE 20 Cb 0.33 0.57 -0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1hmd h ILE 20 CO -0.22 0.37 -0.04 0.40 -1.08 0.00 0.00 178.15 177.58 1hmd h ILE 21 N 1.04 1.29 -0.34 2.19 2.04 -1.75 -1.96 117.51 120.01 1hmd h ILE 21 Ca 0.21 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.11 1hmd h ILE 21 Cb 0.39 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1hmd h ILE 21 CO 0.00 0.30 0.09 0.44 0.00 0.00 0.00 178.15 178.98 1hmd h ASP 22 N 0.01 0.05 -0.51 1.72 3.32 -0.53 -0.35 116.42 120.13 1hmd h ASP 22 Ca 0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1hmd h ASP 22 Cb 0.48 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1hmd h ASP 22 CO 0.02 0.06 0.25 0.44 -1.72 0.00 0.00 179.24 178.29 1hmd h ASP 23 N 0.21 0.69 0.09 6.45 3.45 -0.92 -2.17 116.42 124.22 1hmd h ASP 23 Ca 0.16 -0.07 -0.17 0.00 0.43 0.00 0.00 57.03 57.38 1hmd h ASP 23 Cb 0.17 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1hmd h ASP 23 CO -0.20 0.60 -0.60 -0.33 -1.57 0.00 0.00 179.24 177.15 1hmd h GLU 24 N 0.77 0.51 -0.90 3.56 5.08 -0.67 -3.06 114.58 119.88 1hmd h GLU 24 Ca 0.19 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1hmd h GLU 24 Cb 0.10 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1hmd h GLU 24 CO -0.02 0.96 0.59 0.45 -1.00 0.00 0.00 179.01 179.99 1hmd h HIS 25 N 0.38 1.11 -0.86 4.33 3.86 -0.68 -1.45 115.15 121.84 1hmd h HIS 25 Ca -0.00 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1hmd h HIS 25 Cb 1.14 -0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 1hmd h HIS 25 CO 0.05 0.68 0.56 0.87 0.86 0.00 0.00 177.93 180.95 1hmd h LYS 26 N 1.18 0.83 0.00 2.45 1.57 -1.30 -0.84 116.57 120.46 1hmd h LYS 26 Ca 0.34 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1hmd h LYS 26 Cb -0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1hmd h LYS 26 CO -0.08 0.55 -0.47 1.79 -0.57 0.00 0.00 179.45 180.66 1hmd h THR 27 N 0.85 1.21 -0.13 -0.16 1.35 -1.28 -2.21 112.91 112.54 1hmd h THR 27 Ca 0.40 -1.69 -0.16 0.00 -0.55 0.00 0.00 66.41 64.42 1hmd h THR 27 Cb 0.40 1.94 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1hmd h THR 27 CO -0.16 0.46 -0.52 -0.07 -0.25 0.00 0.00 175.52 174.97 1hmd h LEU 28 N 0.00 0.69 -0.08 3.87 3.38 -1.03 -2.09 115.31 120.05 1hmd h LEU 28 Ca -0.00 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.36 1hmd h LEU 28 Cb 0.90 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1hmd h LEU 28 CO 0.06 1.19 0.01 -0.26 0.09 0.00 0.00 178.44 179.53 1hmd h PHE 29 N 0.23 0.01 -0.60 1.13 -1.00 -1.40 -2.50 116.94 112.81 1hmd h PHE 29 Ca -0.03 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1hmd h PHE 29 Cb 1.16 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.67 1hmd h PHE 29 CO 0.10 0.00 0.33 -0.97 -1.61 0.00 0.00 178.31 176.16 1hmd h ASN 30 N 0.04 0.48 -0.81 2.17 -1.24 -1.36 -0.58 115.58 114.28 1hmd h ASN 30 Ca 0.03 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.09 1hmd h ASN 30 Cb 0.03 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 38.97 1hmd h ASN 30 CO -0.05 0.32 0.53 1.23 -1.29 0.00 0.00 177.43 178.16 1hmd h GLY 31 N 0.62 1.16 0.81 1.57 0.00 -1.24 0.08 103.07 106.07 1hmd h GLY 31 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1hmd h GLY 31 CO -0.17 0.37 -0.09 -2.22 0.00 0.00 0.00 176.54 174.43 1hmd h ILE 32 N 1.05 1.30 -0.52 2.60 2.04 -1.06 -2.70 117.51 120.22 1hmd h ILE 32 Ca 0.31 -1.15 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1hmd h ILE 32 Cb -0.05 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1hmd h ILE 32 CO -0.09 0.35 0.11 0.25 0.00 0.00 0.00 178.15 178.77 1hmd h LEU 33 N 0.14 0.01 -0.12 1.44 5.85 -0.74 -0.49 115.31 121.40 1hmd h LEU 33 Ca 0.05 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1hmd h LEU 33 Cb 0.58 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1hmd h LEU 33 CO 0.03 0.03 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.91 1hmd h LEU 34 N 0.25 -0.55 -1.65 2.25 3.38 -0.85 -1.16 115.31 116.98 1hmd h LEU 34 Ca 0.27 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1hmd h LEU 34 Cb 0.36 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1hmd h LEU 34 CO -0.34 -0.23 0.24 -0.07 0.09 0.00 0.00 178.44 178.13 1hmd h LEU 35 N -0.23 0.40 -1.86 1.67 3.38 -1.12 -0.03 115.31 117.53 1hmd h LEU 35 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1hmd h LEU 35 Cb 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1hmd h LEU 35 CO -0.26 0.29 -0.08 0.77 0.09 0.00 0.00 178.44 179.26 1hmd h SER 36 N 0.48 0.00 0.30 -0.43 4.64 0.12 -2.86 113.55 115.79 1hmd h SER 36 Ca 0.14 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.13 1hmd h SER 36 Cb -0.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1hmd h SER 36 CO -0.03 0.08 -1.93 0.00 -0.87 0.00 0.00 176.83 174.08 1hmd n GLN 37 N -3.34 0.67 -3.15 4.77 6.02 -0.40 -4.85 117.38 117.10 1hmd n GLN 37 Ca -0.01 0.23 0.04 0.00 -0.01 0.00 0.00 57.00 57.25 1hmd n GLN 37 Cb 0.26 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.57 -2.38 -1.01 -1.58 0.00 -0.16 -5.07 121.76 109.00 1hmd s ALA 38 Ca -0.12 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1hmd s ALA 38 Cb 0.07 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1hmd s ALA 38 CO 0.80 -1.55 1.59 0.34 0.00 0.00 0.00 175.76 176.94 1hmd s ASP 39 N 2.85 6.17 0.39 0.00 3.68 -1.09 -4.07 116.67 124.60 1hmd s ASP 39 Ca 0.16 -1.32 0.04 0.00 2.13 0.00 0.00 52.55 53.56 1hmd s ASP 39 Cb -0.13 -2.57 -0.01 0.00 -1.45 0.00 0.00 42.92 38.76 1hmd s ASP 39 CO -0.23 -1.81 0.13 -0.46 0.13 0.00 0.00 175.17 172.93 1hmd n ASN 40 N 10.17 1.29 -0.05 -0.34 2.04 -1.26 -5.04 115.26 122.06 1hmd n ASN 40 Ca 0.36 -3.06 -0.12 0.00 -0.44 0.00 0.00 54.58 51.32 1hmd n ASN 40 Cb 0.50 0.96 0.01 0.00 -2.53 0.00 0.00 39.78 38.71 1hmd n ASN 40 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1hmd h ALA 41 N 1.63 0.61 -0.44 -2.53 0.00 -1.99 0.04 119.26 116.58 1hmd h ALA 41 Ca -0.30 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1hmd h ALA 41 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1hmd h ALA 41 CO 0.48 0.68 0.26 -0.44 0.00 0.00 0.00 179.25 180.23 1hmd h ASP 42 N 0.59 0.53 -0.49 0.00 3.45 -1.97 -0.84 116.42 117.68 1hmd h ASP 42 Ca 0.03 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 1hmd h ASP 42 Cb 1.07 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 1hmd h ASP 42 CO 0.11 0.43 -0.03 0.45 -1.57 0.00 0.00 179.24 178.62 1hmd h HIS 43 N 0.58 0.98 -0.62 4.55 3.86 -1.84 -2.11 115.15 120.55 1hmd h HIS 43 Ca 0.16 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 1hmd h HIS 43 Cb 0.00 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1hmd h HIS 43 CO -0.03 0.93 0.03 1.25 0.86 0.00 0.00 177.93 180.97 1hmd h LEU 44 N 0.75 1.03 -0.55 2.43 5.85 -0.67 -2.54 115.31 121.61 1hmd h LEU 44 Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1hmd h LEU 44 Cb 0.56 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1hmd h LEU 44 CO 0.03 1.06 0.35 0.78 -0.34 0.00 0.00 178.44 180.33 1hmd h ASN 45 N 0.97 0.65 -0.03 1.25 -0.26 -1.14 0.15 115.58 117.17 1hmd h ASN 45 Ca 0.18 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1hmd h ASN 45 Cb 0.52 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1hmd h ASN 45 CO 0.03 0.49 0.02 -0.08 -1.06 0.00 0.00 177.43 176.82 1hmd h GLU 46 N 0.75 0.04 -0.05 0.81 4.57 -1.26 -0.07 114.58 119.37 1hmd h GLU 46 Ca 0.20 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1hmd h GLU 46 Cb -0.06 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1hmd h GLU 46 CO -0.04 0.02 0.02 1.25 -1.18 0.00 0.00 179.01 179.09 1hmd h LEU 47 N 0.04 0.07 -0.21 1.64 5.85 -1.21 -2.28 115.31 119.21 1hmd h LEU 47 Ca 0.01 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1hmd h LEU 47 Cb -0.00 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1hmd h LEU 47 CO -0.01 0.17 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.08 1hmd h ARG 48 N -0.04 -0.07 0.33 1.25 9.65 -0.61 0.16 114.38 125.04 1hmd h ARG 48 Ca 0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1hmd h ARG 48 Cb 0.12 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1hmd h ARG 48 CO -0.00 -0.05 -0.26 -0.09 2.80 0.00 0.00 179.97 182.37 1hmd h ARG 49 N -0.08 -0.57 -0.92 0.20 2.43 -0.94 -1.08 114.38 113.43 1hmd h ARG 49 Ca 0.11 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1hmd h ARG 49 Cb 0.24 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 1hmd h ARG 49 CO -0.26 -0.38 0.58 0.00 -1.51 0.00 0.00 179.97 178.40 1hmd h THR 51 N 1.04 1.24 -0.48 0.00 2.02 -0.61 0.25 112.91 116.36 1hmd h THR 51 Ca 0.40 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1hmd h THR 51 Cb 0.19 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1hmd h THR 51 CO -0.18 0.20 0.31 1.23 0.37 0.00 0.00 175.52 177.46 1hmd h GLY 52 N -0.37 0.68 0.93 2.16 0.00 -0.98 -0.63 103.07 104.85 1hmd h GLY 52 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1hmd h GLY 52 CO 0.00 0.23 0.13 1.70 0.00 0.00 0.00 176.54 178.60 1hmd h LYS 53 N 0.63 0.54 -0.32 4.80 3.64 -1.22 -2.71 116.57 121.94 1hmd h LYS 53 Ca 0.18 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1hmd h LYS 53 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1hmd h LYS 53 CO -0.05 0.55 0.15 1.25 -2.27 0.00 0.00 179.45 179.08 1hmd h HIS 54 N 0.42 0.46 -0.52 1.91 2.76 -0.74 -0.90 115.15 118.54 1hmd h HIS 54 Ca 0.12 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1hmd h HIS 54 Cb 0.22 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1hmd h HIS 54 CO 0.00 0.41 0.33 0.74 -1.30 0.00 0.00 177.93 178.12 1hmd h PHE 55 N 0.38 0.66 -0.31 5.26 0.04 -1.12 0.52 116.94 122.36 1hmd h PHE 55 Ca 0.11 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 1hmd h PHE 55 Cb 0.13 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1hmd h PHE 55 CO -0.02 0.43 -0.07 1.25 -0.60 0.00 0.00 178.31 179.31 1hmd h LEU 56 N 0.70 0.60 -0.53 1.54 5.85 -1.37 -0.72 115.31 121.38 1hmd h LEU 56 Ca 0.19 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1hmd h LEU 56 Cb -0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1hmd h LEU 56 CO -0.04 0.82 0.31 0.78 -0.34 0.00 0.00 178.44 179.97 1hmd h ASN 57 N 0.37 0.50 -0.38 1.25 -0.26 -0.82 0.26 115.58 116.50 1hmd h ASN 57 Ca 0.08 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.70 1hmd h ASN 57 Cb 0.55 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1hmd h ASN 57 CO 0.03 0.35 -0.22 -0.08 -1.06 0.00 0.00 177.43 176.46 1hmd h GLU 58 N 0.62 0.87 -0.81 0.81 4.81 -0.85 -0.98 114.58 119.05 1hmd h GLU 58 Ca 0.21 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1hmd h GLU 58 Cb 0.03 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1hmd h GLU 58 CO -0.10 1.00 0.37 1.96 -0.73 0.00 0.00 179.01 181.51 1hmd h GLN 59 N 0.76 1.18 -0.37 1.92 4.20 -0.84 -0.63 115.11 121.33 1hmd h GLN 59 Ca 0.10 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1hmd h GLN 59 Cb 0.76 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1hmd h GLN 59 CO 0.06 0.93 0.22 0.37 -0.67 0.00 0.00 178.83 179.74 1hmd h GLN 60 N 1.16 0.44 -0.91 1.46 5.75 -0.48 -0.36 115.11 122.17 1hmd h GLN 60 Ca 0.28 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1hmd h GLN 60 Cb 0.15 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 1hmd h GLN 60 CO -0.03 0.29 0.60 1.25 -2.65 0.00 0.00 178.83 178.29 1hmd h LEU 61 N 0.45 1.01 -0.69 -2.39 5.85 -0.64 -1.74 115.31 117.16 1hmd h LEU 61 Ca 0.15 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1hmd h LEU 61 Cb -0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1hmd h LEU 61 CO -0.06 0.71 0.20 0.24 -0.34 0.00 0.00 178.44 179.19 1hmd h MET 62 N 1.18 1.07 0.00 1.25 2.86 -0.68 -2.95 114.93 117.67 1hmd h MET 62 Ca 0.35 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1hmd h MET 62 Cb -0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1hmd h MET 62 CO -0.10 0.93 -0.50 1.96 1.06 0.00 0.00 176.91 180.26 1hmd h GLN 63 N 1.01 0.00 -0.00 1.72 4.20 -0.69 -1.44 115.11 119.91 1hmd h GLN 63 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1hmd h GLN 63 Cb 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1hmd h GLN 63 CO -0.00 0.50 0.00 0.77 -0.67 0.00 0.00 178.83 179.43 1hmd h SER 64 N 0.00 0.00 -0.31 1.46 0.02 -1.14 -1.78 113.55 111.80 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 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1hmd h SER 64 CO 0.06 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.55 1hmd n SER 65 N -3.89 2.82 -3.80 3.07 7.64 -1.13 -4.99 113.62 113.35 1hmd n SER 65 Ca -0.03 -1.96 -0.23 0.00 1.01 0.00 0.00 58.87 57.66 1hmd n SER 65 Cb 0.09 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.48 -4.33 -1.66 1.43 6.02 -0.67 -4.83 117.38 113.81 1hmd n GLN 66 Ca 0.11 0.54 -0.47 0.00 -0.01 0.00 0.00 57.00 57.16 1hmd n GLN 66 Cb 0.41 -4.95 -0.05 0.00 1.02 0.00 0.00 30.24 26.67 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 -4.33 2.20 0.24 1.08 -0.00 -0.56 -4.88 117.16 110.92 1hmd n TYR 67 Ca -0.30 0.25 0.11 0.00 -0.00 0.00 0.00 57.90 57.96 1hmd n TYR 67 Cb 0.68 -2.55 0.59 0.00 -0.00 0.00 0.00 39.34 38.06 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 6.56 1.18 -0.51 2.98 0.00 -1.90 -2.98 119.26 124.58 1hmd h ALA 68 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1hmd h ALA 68 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1hmd h ALA 68 CO 0.89 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.79 1hmd n GLY 69 N -0.35 2.64 0.22 0.00 0.00 -1.26 -4.65 105.19 101.78 1hmd n GLY 69 Ca -0.01 -0.77 -0.14 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 3.45 -0.45 -0.55 1.61 5.03 -1.92 -2.38 116.97 121.76 1hmd h TYR 70 Ca 0.00 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.36 1hmd h TYR 70 Cb 1.62 0.16 -0.05 0.00 1.55 0.00 0.00 36.73 40.01 1hmd h TYR 70 CO 0.85 -0.27 0.28 0.00 -1.32 0.00 0.00 178.16 177.70 1hmd h ALA 71 N 0.27 0.71 -0.45 1.82 0.00 -1.86 0.67 119.26 120.41 1hmd h ALA 71 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1hmd h ALA 71 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1hmd h ALA 71 CO 0.02 -0.07 0.14 1.49 0.00 0.00 0.00 179.25 180.83 1hmd h GLU 72 N 0.53 0.71 -0.30 0.00 4.81 -1.92 -1.11 114.58 117.30 1hmd h GLU 72 Ca 0.25 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1hmd h GLU 72 Cb 0.16 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1hmd h GLU 72 CO -0.17 0.69 0.10 1.25 -0.73 0.00 0.00 179.01 180.14 1hmd h HIS 73 N 0.60 0.48 -0.64 0.92 2.76 -0.84 -1.94 115.15 116.49 1hmd h HIS 73 Ca 0.15 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1hmd h HIS 73 Cb 0.28 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1hmd h HIS 73 CO 0.01 0.48 0.40 -0.22 -1.30 0.00 0.00 177.93 177.31 1hmd h LYS 74 N 0.33 0.85 -0.55 5.26 3.64 0.55 -1.88 116.57 124.76 1hmd h LYS 74 Ca 0.10 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1hmd h LYS 74 Cb 0.23 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1hmd h LYS 74 CO -0.00 0.58 0.08 -0.22 -2.27 0.00 0.00 179.45 177.61 1hmd h LYS 75 N 0.87 0.92 -0.89 1.90 1.63 -0.96 -1.59 116.57 118.44 1hmd h LYS 75 Ca 0.23 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1hmd h LYS 75 Cb -0.06 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.42 1hmd h LYS 75 CO -0.05 0.90 0.59 0.00 -3.45 0.00 0.00 179.45 177.44 1hmd h ALA 76 N 0.99 1.14 -0.10 5.00 0.00 -0.58 -2.22 119.26 123.49 1hmd h ALA 76 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1hmd h ALA 76 Cb 0.43 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1hmd h ALA 76 CO 0.01 0.52 0.03 0.45 0.00 0.00 0.00 179.25 180.26 1hmd h HIS 77 N 1.20 0.16 -0.95 0.00 3.86 -1.16 -2.89 115.15 115.37 1hmd h HIS 77 Ca 0.33 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.58 1hmd h HIS 77 Cb -0.12 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.24 1hmd h HIS 77 CO -0.01 0.31 0.61 -0.44 0.86 0.00 0.00 177.93 179.26 1hmd h ASP 78 N -0.04 0.97 -0.64 2.45 3.45 -1.19 -0.69 116.42 120.73 1hmd h ASP 78 Ca 0.03 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1hmd h ASP 78 Cb 0.23 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1hmd h ASP 78 CO -0.00 0.63 0.22 0.44 -1.57 0.00 0.00 179.24 178.95 1hmd h ASP 79 N 1.11 0.92 -0.19 6.45 3.45 -1.37 -1.91 116.42 124.89 1hmd h ASP 79 Ca 0.41 -0.20 -0.21 0.00 0.43 0.00 0.00 57.03 57.46 1hmd h ASP 79 Cb 0.15 -0.24 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1hmd h ASP 79 CO -0.17 0.87 -0.69 0.15 -1.57 0.00 0.00 179.24 177.84 1hmd h PHE 80 N 0.92 1.07 -0.77 4.55 3.57 -1.16 -2.51 116.94 122.62 1hmd h PHE 80 Ca 0.21 -0.44 0.09 0.00 3.53 0.00 0.00 57.97 61.36 1hmd h PHE 80 Cb 0.27 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1hmd h PHE 80 CO 0.02 1.27 0.42 0.82 -2.23 0.00 0.00 178.31 178.61 1hmd h ILE 81 N 0.59 0.90 -0.51 1.41 1.08 -1.06 -1.17 117.51 118.74 1hmd h ILE 81 Ca -0.03 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.26 1hmd h ILE 81 Cb 1.31 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1hmd h ILE 81 CO 0.14 0.13 0.23 -0.74 -0.69 0.00 0.00 178.15 177.22 1hmd h HIS 82 N 0.72 0.41 -0.45 1.37 2.76 -1.16 -0.18 115.15 118.62 1hmd h HIS 82 Ca 0.37 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 1hmd h HIS 82 Cb 0.34 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1hmd h HIS 82 CO -0.08 0.17 0.25 0.87 -1.30 0.00 0.00 177.93 177.85 1hmd h LYS 83 N 0.44 0.50 -0.01 5.26 1.79 -0.87 -1.65 116.57 122.01 1hmd h LYS 83 Ca 0.24 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.61 1hmd h LYS 83 Cb 0.20 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1hmd h LYS 83 CO -0.20 0.33 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.10 1hmd h LEU 84 N 0.51 0.02 -0.20 2.94 3.38 -0.53 -2.07 115.31 119.37 1hmd h LEU 84 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1hmd h LEU 84 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1hmd h LEU 84 CO -0.10 0.35 0.00 0.44 0.09 0.00 0.00 178.44 179.22 1hmd h ASP 85 N 0.02 0.00 -1.18 -0.43 3.45 -0.49 -3.13 116.42 114.66 1hmd h ASP 85 Ca 0.00 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 56.99 1hmd h ASP 85 Cb 0.58 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.94 1hmd h ASP 85 CO 0.04 0.00 -0.95 0.35 -1.57 0.00 0.00 179.24 177.11 1hmd n THR 86 N -2.41 1.77 -1.63 0.35 -2.24 -0.67 -5.08 114.28 104.37 1hmd n THR 86 Ca 0.04 -4.00 -0.48 0.00 -2.27 0.00 0.00 64.05 57.34 1hmd n THR 86 Cb 0.40 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.34 1.81 0.01 4.78 -0.00 -0.81 -4.89 117.44 117.99 1hmd n TRP 87 Ca 0.25 0.50 0.02 0.00 -0.00 0.00 0.00 57.50 58.28 1hmd n TRP 87 Cb 0.76 -2.41 0.04 0.00 -0.00 0.00 0.00 31.31 29.71 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 2.60 2.02 0.00 5.87 3.85 -1.26 -5.00 116.55 124.63 1hmd n ASP 88 Ca 0.16 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.50 1hmd n ASP 88 Cb 0.25 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 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 -0.03 0.55 3.50 6.12 0.00 -1.26 -4.97 105.19 109.10 1hmd n GLY 89 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.15 6.70 0.37 1.61 3.68 -1.26 -4.78 116.67 120.85 1hmd s ASP 90 Ca 0.00 -2.10 0.17 0.00 2.13 0.00 0.00 52.55 52.75 1hmd s ASP 90 Cb 0.00 -2.48 0.72 0.00 -1.45 0.00 0.00 42.92 39.71 1hmd s ASP 90 CO 0.00 -1.15 1.77 0.58 0.13 0.00 0.00 175.17 176.49 1hmd h VAL 91 N 5.87 1.00 -0.20 1.11 2.07 -1.97 -2.82 116.25 121.32 1hmd h VAL 91 Ca 0.24 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1hmd h VAL 91 Cb 0.97 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1hmd h VAL 91 CO 1.28 0.38 -0.05 0.74 0.02 0.00 0.00 177.57 179.93 1hmd h THR 92 N 0.00 1.29 0.00 2.57 2.02 -2.00 -0.09 112.91 116.70 1hmd h THR 92 Ca -0.00 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1hmd h THR 92 Cb 0.83 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1hmd h THR 92 CO 0.05 0.31 -0.30 0.22 0.37 0.00 0.00 175.52 176.17 1hmd h TYR 93 N 0.10 -0.83 -0.41 3.16 5.03 -1.94 -1.94 116.97 120.14 1hmd h TYR 93 Ca 0.05 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.44 1hmd h TYR 93 Cb 0.50 0.37 -0.05 0.00 1.55 0.00 0.00 36.73 39.10 1hmd h TYR 93 CO 0.05 -0.40 0.14 0.00 -1.32 0.00 0.00 178.16 176.64 1hmd h ALA 94 N 0.30 0.48 -0.65 1.82 0.00 -1.29 0.22 119.26 120.14 1hmd h ALA 94 Ca 0.06 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1hmd h ALA 94 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1hmd h ALA 94 CO -0.25 -0.25 0.33 0.87 0.00 0.00 0.00 179.25 179.95 1hmd h LYS 95 N 0.30 0.59 -0.06 0.00 1.57 -0.76 -1.72 116.57 116.50 1hmd h LYS 95 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1hmd h LYS 95 Cb 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1hmd h LYS 95 CO -0.19 0.39 -0.00 -0.97 -0.57 0.00 0.00 179.45 178.10 1hmd h ASN 96 N 0.60 0.10 -0.21 0.86 -1.24 -1.10 -3.07 115.58 111.52 1hmd h ASN 96 Ca 0.30 -0.32 0.05 0.00 0.71 0.00 0.00 56.30 57.04 1hmd h ASN 96 Cb 0.25 -0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 1hmd h ASN 96 CO -0.22 0.39 -0.10 -0.25 -1.29 0.00 0.00 177.43 175.97 1hmd h TRP 97 N -0.20 -0.24 -0.05 0.67 7.01 -0.18 -2.37 115.95 120.58 1hmd h TRP 97 Ca 0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1hmd h TRP 97 Cb 0.35 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 1hmd h TRP 97 CO 0.04 -0.16 0.02 1.25 -2.79 0.00 0.00 178.44 176.80 1hmd h LEU 98 N -0.08 0.07 -0.35 0.65 5.85 -1.38 -0.11 115.31 119.96 1hmd h LEU 98 Ca 0.11 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1hmd h LEU 98 Cb 0.25 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1hmd h LEU 98 CO -0.26 0.19 -0.09 0.58 -0.34 0.00 0.00 178.44 178.53 1hmd h VAL 99 N -0.06 0.65 -0.44 1.05 2.07 -1.49 -2.37 116.25 115.67 1hmd h VAL 99 Ca 0.02 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 1hmd h VAL 99 Cb 0.14 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1hmd h VAL 99 CO -0.00 0.00 -0.25 0.78 0.02 0.00 0.00 177.57 178.12 1hmd h ASN 100 N -0.00 0.95 -0.01 0.57 -0.26 -1.25 -2.51 115.58 113.08 1hmd h ASN 100 Ca 0.17 -0.37 0.01 0.00 -0.56 0.00 0.00 56.30 55.54 1hmd h ASN 100 Cb 0.26 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1hmd h ASN 100 CO -0.36 1.14 -0.02 -0.74 -1.06 0.00 0.00 177.43 176.39 1hmd h HIS 101 N 0.79 -0.05 0.55 1.19 2.76 -0.84 0.49 115.15 120.04 1hmd h HIS 101 Ca 0.10 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1hmd h HIS 101 Cb 0.81 0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.80 1hmd h HIS 101 CO 0.05 -0.03 -0.26 0.82 -1.30 0.00 0.00 177.93 177.21 1hmd h ILE 102 N -0.03 0.44 0.00 6.26 2.04 -1.43 0.23 117.51 125.01 1hmd h ILE 102 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1hmd h ILE 102 Cb 0.05 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1hmd h ILE 102 CO -0.03 0.02 0.00 0.11 0.00 0.00 0.00 178.15 178.26 1hmd h LYS 103 N -0.83 0.00 0.00 2.37 1.57 -1.43 0.24 116.57 118.50 1hmd h LYS 103 Ca -0.08 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1hmd h LYS 103 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1hmd h LYS 103 CO 0.12 0.00 -1.38 0.25 -0.57 0.00 0.00 179.45 177.88 1hmd n THR 104 N -2.41 0.37 -0.10 -0.16 -2.24 0.16 -4.53 114.28 105.37 1hmd n THR 104 Ca 0.02 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1hmd n THR 104 Cb 0.25 -1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 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 -2.99 1.51 -0.14 2.28 2.08 0.55 -3.73 119.36 118.92 1hmd n ILE 105 Ca -0.12 -0.01 -0.07 0.00 0.56 0.00 0.00 62.75 63.11 1hmd n ILE 105 Cb 0.61 -2.10 0.02 0.00 -0.75 0.00 0.00 39.64 37.42 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 -1.00 0.45 -0.14 4.38 5.19 -0.55 -2.41 116.42 122.34 1hmd h ASP 106 Ca -0.31 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1hmd h ASP 106 Cb 1.18 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 1hmd h ASP 106 CO -0.19 0.32 0.23 -0.26 -3.12 0.00 0.00 179.24 176.22 1hmd h PHE 107 N 0.55 0.00 0.00 4.55 0.05 -0.69 -1.58 116.94 119.81 1hmd h PHE 107 Ca 0.17 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.91 1hmd h PHE 107 Cb -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 1hmd h PHE 107 CO -0.06 0.00 -0.24 0.87 -0.18 0.00 0.00 178.31 178.69 1hmd h LYS 108 N 0.00 0.00 -0.00 1.51 1.57 -1.51 -2.87 116.57 115.27 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 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1hmd h LYS 108 CO -0.00 0.24 -0.15 2.48 -0.57 0.00 0.00 179.45 181.45 1hmd n TYR 109 N -4.05 0.00 -1.69 -1.35 0.18 -0.59 -4.88 117.16 104.77 1hmd n TYR 109 Ca -0.02 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.32 1hmd n TYR 109 Cb 0.31 -0.26 -0.04 0.00 -0.38 0.00 0.00 39.34 38.97 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 -1.17 2.47 -0.40 -3.48 1.74 -1.08 -1.19 116.66 113.55 1hmd n ARG 110 Ca 0.11 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1hmd n ARG 110 Cb 0.30 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 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 3.88 1.33 0.10 -0.13 0.00 -1.26 -4.86 105.19 104.25 1hmd n GLY 111 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 2.96 0.00 1.61 5.02 -0.33 -5.27 118.16 120.15 1hmd n LYS 112 Ca 0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1hmd n LYS 112 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1hmd n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32