#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc5 s ASP 2 N 0.00 4.70 0.15 0.00 1.47 -1.26 -4.86 116.67 116.87 2bc5 s ASP 2 Ca 0.00 0.49 -0.26 0.00 1.18 0.00 0.00 52.55 53.96 2bc5 s ASP 2 Cb 0.00 -1.09 0.01 0.00 -0.34 0.00 0.00 42.92 41.50 2bc5 s ASP 2 CO 0.00 -1.69 1.58 0.25 0.68 0.00 0.00 175.17 175.99 2bc5 h LEU 3 N -0.71 -1.32 -0.51 2.11 5.85 -1.94 -1.91 115.31 116.89 2bc5 h LEU 3 Ca -0.44 0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.58 2bc5 h LEU 3 Cb 1.32 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 42.84 2bc5 h LEU 3 CO 0.60 -0.36 0.01 -0.33 -0.34 0.00 0.00 178.44 178.01 2bc5 h GLU 4 N -0.32 0.12 0.04 1.25 4.39 -1.99 0.98 114.58 119.05 2bc5 h GLU 4 Ca 0.14 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2bc5 h GLU 4 Cb 0.58 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2bc5 h GLU 4 CO -0.55 0.08 -0.23 -0.44 -1.16 0.00 0.00 179.01 176.71 2bc5 h ASP 5 N 0.12 -0.66 -0.64 1.42 3.32 -1.78 -1.01 116.42 117.18 2bc5 h ASP 5 Ca 0.26 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.46 2bc5 h ASP 5 Cb 0.39 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 2bc5 h ASP 5 CO -0.42 -0.30 0.34 0.78 -1.72 0.00 0.00 179.24 177.92 2bc5 h ASN 6 N -0.38 0.49 -0.74 6.45 2.35 -0.57 -1.79 115.58 121.39 2bc5 h ASN 6 Ca 0.05 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2bc5 h ASN 6 Cb 0.44 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 2bc5 h ASN 6 CO -0.18 0.31 0.47 0.24 -1.65 0.00 0.00 177.43 176.62 2bc5 h MET 7 N 0.63 0.89 -0.73 0.81 2.86 -0.40 -0.24 114.93 118.74 2bc5 h MET 7 Ca 0.29 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2bc5 h MET 7 Cb 0.21 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2bc5 h MET 7 CO -0.20 0.59 0.31 0.93 1.06 0.00 0.00 176.91 179.60 2bc5 h GLU 8 N 0.92 1.07 -0.64 1.72 4.39 -0.47 -0.35 114.58 121.21 2bc5 h GLU 8 Ca 0.29 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2bc5 h GLU 8 Cb 0.00 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 2bc5 h GLU 8 CO -0.10 0.86 0.21 1.15 -1.16 0.00 0.00 179.01 179.96 2bc5 h THR 9 N 1.05 1.25 0.10 1.13 2.02 -0.53 0.25 112.91 118.17 2bc5 h THR 9 Ca 0.25 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 2bc5 h THR 9 Cb 0.17 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2bc5 h THR 9 CO -0.02 0.32 -0.05 -0.07 0.37 0.00 0.00 175.52 176.07 2bc5 h LEU 10 N 0.92 -0.11 -0.25 2.58 3.38 -0.54 -1.25 115.31 120.05 2bc5 h LEU 10 Ca 0.21 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2bc5 h LEU 10 Cb 0.28 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bc5 h LEU 10 CO -0.01 0.05 0.15 -1.13 0.09 0.00 0.00 178.44 177.59 2bc5 h ASN 11 N -0.26 0.26 -0.34 -0.43 -0.73 -0.90 -1.56 115.58 111.62 2bc5 h ASN 11 Ca -0.01 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.17 2bc5 h ASN 11 Cb 0.22 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 2bc5 h ASN 11 CO 0.02 0.19 0.21 0.44 -0.37 0.00 0.00 177.43 177.91 2bc5 h ASP 12 N 0.31 0.34 0.86 1.15 3.32 -0.43 -2.77 116.42 119.21 2bc5 h ASP 12 Ca 0.09 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2bc5 h ASP 12 Cb -0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2bc5 h ASP 12 CO -0.03 0.25 -0.42 0.78 -1.72 0.00 0.00 179.24 178.10 2bc5 h ASN 13 N 0.42 0.00 -0.57 6.45 4.21 -1.10 -2.49 115.58 122.50 2bc5 h ASN 13 Ca 0.13 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.59 2bc5 h ASN 13 Cb -0.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 2bc5 h ASN 13 CO -0.05 0.42 0.16 0.25 -1.29 0.00 0.00 177.43 176.92 2bc5 h LEU 14 N 0.00 0.85 -1.12 1.61 5.85 -1.08 -0.80 115.31 120.63 2bc5 h LEU 14 Ca -0.00 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 2bc5 h LEU 14 Cb 0.96 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2bc5 h LEU 14 CO 0.05 0.84 -0.21 0.11 -0.34 0.00 0.00 178.44 178.89 2bc5 h LYS 15 N 0.81 0.36 -0.52 1.25 1.57 -1.31 -2.23 116.57 116.50 2bc5 h LYS 15 Ca 0.18 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2bc5 h LYS 15 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2bc5 h LYS 15 CO -0.00 0.56 0.17 0.28 -0.57 0.00 0.00 179.45 179.89 2bc5 h VAL 16 N 0.32 1.23 -0.87 0.50 2.07 -0.94 -2.16 116.25 116.40 2bc5 h VAL 16 Ca 0.05 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2bc5 h VAL 16 Cb 0.56 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2bc5 h VAL 16 CO 0.04 0.28 0.45 0.40 0.02 0.00 0.00 177.57 178.76 2bc5 h ILE 17 N 0.71 1.26 -0.20 4.57 2.04 -0.76 0.36 117.51 125.48 2bc5 h ILE 17 Ca 0.17 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2bc5 h ILE 17 Cb 0.27 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2bc5 h ILE 17 CO -0.01 0.30 -0.09 -0.33 0.00 0.00 0.00 178.15 178.03 2bc5 h GLU 18 N 1.22 0.31 0.00 2.37 5.08 -1.17 -2.36 114.58 120.04 2bc5 h GLU 18 Ca 0.30 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2bc5 h GLU 18 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2bc5 h GLU 18 CO -0.04 0.42 -0.89 1.57 -1.00 0.00 0.00 179.01 179.06 2bc5 h LYS 19 N 0.30 0.00 -4.68 2.33 2.10 -0.78 -3.49 116.57 112.35 2bc5 h LYS 19 Ca 0.06 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.19 2bc5 h LYS 19 Cb 0.35 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 31.77 2bc5 h LYS 19 CO 0.02 0.00 -0.42 0.00 -2.00 0.00 0.00 179.45 177.05 2bc5 n ALA 20 N -2.13 -2.47 0.12 0.07 0.00 0.12 -4.92 120.51 111.30 2bc5 n ALA 20 Ca 0.01 0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.80 2bc5 n ALA 20 Cb 0.53 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2bc5 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bc5 n ASP 21 N 1.57 1.64 -3.89 0.00 8.00 -1.26 -5.05 116.55 117.56 2bc5 n ASP 21 Ca 0.14 -0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.14 2bc5 n ASP 21 Cb 0.20 1.07 -0.07 0.00 -0.02 0.00 0.00 41.12 42.30 2bc5 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bc5 s ASN 22 N -1.80 0.36 0.08 -2.24 6.03 -1.26 -5.06 114.94 111.05 2bc5 s ASN 22 Ca 0.00 -1.30 -0.22 0.00 -1.03 0.00 0.00 52.86 50.31 2bc5 s ASN 22 Cb 0.03 0.51 -0.12 0.00 -3.03 0.00 0.00 41.25 38.64 2bc5 s ASN 22 CO 0.17 -1.04 1.66 0.00 -2.03 0.00 0.00 177.10 175.86 2bc5 h ALA 23 N 2.37 0.13 -0.80 3.54 0.00 -1.96 -2.88 119.26 119.66 2bc5 h ALA 23 Ca -0.30 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 54.71 2bc5 h ALA 23 Cb 1.25 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2bc5 h ALA 23 CO 0.43 -0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.67 2bc5 h ALA 24 N 0.93 1.15 -0.51 0.00 0.00 -1.97 0.11 119.26 118.98 2bc5 h ALA 24 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2bc5 h ALA 24 Cb 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2bc5 h ALA 24 CO -0.00 -0.27 0.16 1.96 0.00 0.00 0.00 179.25 181.09 2bc5 h GLN 25 N 0.39 0.79 -0.21 0.00 4.20 -1.95 -1.48 115.11 116.85 2bc5 h GLN 25 Ca 0.46 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 2bc5 h GLN 25 Cb 0.77 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2bc5 h GLN 25 CO -0.47 0.73 0.07 0.28 -0.67 0.00 0.00 178.83 178.78 2bc5 h VAL 26 N 0.69 1.18 -0.52 -0.54 2.07 -0.95 -1.78 116.25 116.40 2bc5 h VAL 26 Ca 0.16 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2bc5 h VAL 26 Cb 0.28 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2bc5 h VAL 26 CO -0.01 0.18 0.32 0.11 0.02 0.00 0.00 177.57 178.20 2bc5 h LYS 27 N 0.17 0.63 -0.57 1.57 1.57 -0.73 0.32 116.57 119.54 2bc5 h LYS 27 Ca 0.07 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2bc5 h LYS 27 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2bc5 h LYS 27 CO -0.00 0.41 0.20 0.22 -0.57 0.00 0.00 179.45 179.71 2bc5 h ASP 28 N 0.64 0.81 -0.45 0.86 1.82 -1.20 0.01 116.42 118.91 2bc5 h ASP 28 Ca 0.20 -0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 2bc5 h ASP 28 Cb -0.01 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 2bc5 h ASP 28 CO -0.08 0.78 0.07 0.00 -1.61 0.00 0.00 179.24 178.41 2bc5 h ALA 29 N 1.06 0.60 -0.49 -0.78 0.00 -1.00 -1.79 119.26 116.86 2bc5 h ALA 29 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2bc5 h ALA 29 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2bc5 h ALA 29 CO -0.01 0.33 0.22 -0.07 0.00 0.00 0.00 179.25 179.73 2bc5 h LEU 30 N 0.62 0.66 -1.02 0.00 3.38 -0.70 -1.15 115.31 117.09 2bc5 h LEU 30 Ca 0.14 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bc5 h LEU 30 Cb 0.39 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2bc5 h LEU 30 CO 0.01 0.62 0.66 0.74 0.09 0.00 0.00 178.44 180.56 2bc5 h THR 31 N 0.65 1.24 -0.23 0.22 2.02 -0.81 0.41 112.91 116.41 2bc5 h THR 31 Ca 0.17 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2bc5 h THR 31 Cb 0.14 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 2bc5 h THR 31 CO -0.02 0.24 -0.25 0.11 0.37 0.00 0.00 175.52 175.97 2bc5 h LYS 32 N 1.34 0.43 -0.11 6.66 1.57 -0.84 -2.50 116.57 123.12 2bc5 h LYS 32 Ca 0.37 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 2bc5 h LYS 32 Cb -0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2bc5 h LYS 32 CO -0.09 0.65 -0.61 0.52 -0.57 0.00 0.00 179.45 179.35 2bc5 h MET 33 N 0.38 0.39 -0.06 3.15 2.86 -0.24 -2.39 114.93 119.02 2bc5 h MET 33 Ca 0.06 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2bc5 h MET 33 Cb 0.65 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 2bc5 h MET 33 CO 0.05 0.89 0.04 -0.09 1.06 0.00 0.00 176.91 178.85 2bc5 h ARG 34 N 0.29 0.09 -0.51 1.72 2.43 -0.53 0.13 114.38 118.01 2bc5 h ARG 34 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2bc5 h ARG 34 Cb 1.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2bc5 h ARG 34 CO 0.10 0.12 -0.08 0.00 -1.51 0.00 0.00 179.97 178.60 2bc5 h ALA 35 N 0.97 0.90 -0.59 2.80 0.00 -1.50 -1.50 119.26 120.34 2bc5 h ALA 35 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2bc5 h ALA 35 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2bc5 h ALA 35 CO -0.00 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2bc5 h ALA 36 N 1.07 0.79 -0.13 0.00 0.00 -1.21 -1.12 119.26 118.67 2bc5 h ALA 36 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bc5 h ALA 36 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2bc5 h ALA 36 CO 0.04 0.65 0.06 0.00 0.00 0.00 0.00 179.25 180.00 2bc5 h ALA 37 N 0.97 0.17 -0.06 0.00 0.00 -0.53 -0.37 119.26 119.44 2bc5 h ALA 37 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2bc5 h ALA 37 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2bc5 h ALA 37 CO 0.03 -0.28 -0.30 -0.07 0.00 0.00 0.00 179.25 178.64 2bc5 h LEU 38 N 0.08 0.11 -0.11 0.00 3.38 -1.18 -1.58 115.31 116.02 2bc5 h LEU 38 Ca 0.04 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2bc5 h LEU 38 Cb 0.11 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2bc5 h LEU 38 CO -0.01 0.41 -0.65 -0.78 0.09 0.00 0.00 178.44 177.50 2bc5 h ASP 39 N 0.10 0.75 0.28 -0.43 3.58 -0.96 -3.10 116.42 116.65 2bc5 h ASP 39 Ca 0.01 -0.65 -0.05 0.00 0.42 0.00 0.00 57.03 56.76 2bc5 h ASP 39 Cb 0.58 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2bc5 h ASP 39 CO 0.04 1.29 -0.23 0.00 -2.88 0.00 0.00 179.24 177.46 2bc5 h ALA 40 N 0.48 1.53 0.00 -0.78 0.00 -0.82 -2.33 119.26 117.34 2bc5 h ALA 40 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2bc5 h ALA 40 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bc5 h ALA 40 CO 0.13 0.29 0.00 0.37 0.00 0.00 0.00 179.25 180.04 2bc5 h GLN 41 N 0.00 0.00 -0.01 0.00 4.15 -1.21 -1.49 115.11 116.56 2bc5 h GLN 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2bc5 h GLN 41 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2bc5 h GLN 41 CO 0.03 0.00 -0.35 1.63 -1.93 0.00 0.00 178.83 178.21 2bc5 n LYS 42 N -2.96 0.58 -2.12 1.69 5.02 -0.87 -4.81 118.16 114.69 2bc5 n LYS 42 Ca -0.01 -0.35 -0.28 0.00 -2.02 0.00 0.00 58.31 55.64 2bc5 n LYS 42 Cb 0.15 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 2bc5 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bc5 s ALA 43 N -2.66 3.07 -0.28 7.82 0.00 -0.56 -5.07 121.76 124.08 2bc5 s ALA 43 Ca 0.20 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2bc5 s ALA 43 Cb 0.19 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.55 2bc5 s ALA 43 CO 0.58 -1.04 -0.07 0.99 0.00 0.00 0.00 175.76 176.23 2bc5 s THR 44 N -3.21 2.37 0.74 0.00 2.01 -1.26 -5.04 115.64 111.25 2bc5 s THR 44 Ca 0.57 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 2bc5 s THR 44 Cb -0.11 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.02 2bc5 s THR 44 CO 0.48 -0.11 1.21 -2.16 -0.69 0.00 0.00 174.62 173.35 2bc5 s PRO 45 N 1.11 2.07 0.20 4.92 0.04 -1.26 -4.77 135.00 137.31 2bc5 s PRO 45 Ca -0.06 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2bc5 s PRO 45 Cb -0.20 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2bc5 s PRO 45 CO -0.04 -1.89 1.65 -1.35 0.04 0.00 0.00 177.00 175.41 2bc5 h PRO 46 N -0.38 0.05 0.00 0.56 0.11 -2.00 -0.47 132.00 129.87 2bc5 h PRO 46 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bc5 h PRO 46 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2bc5 h PRO 46 CO 0.49 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 179.94 2bc5 n LYS 47 N -5.33 0.13 0.00 1.05 5.02 -1.26 -1.84 118.16 115.92 2bc5 n LYS 47 Ca 0.07 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2bc5 n LYS 47 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2bc5 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2bc5 n LEU 48 N -1.27 1.51 -0.30 -0.35 4.77 -0.24 -4.78 117.00 116.35 2bc5 n LEU 48 Ca 0.04 -1.51 0.29 0.00 -0.03 0.00 0.00 56.01 54.80 2bc5 n LEU 48 Cb 0.06 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.80 2bc5 n LEU 48 CO 0.06 0.38 1.27 -0.08 -1.33 0.00 0.00 177.39 177.69 2bc5 h GLU 49 N 0.00 0.16 -0.71 3.23 4.81 -0.78 0.11 114.58 121.40 2bc5 h GLU 49 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2bc5 h GLU 49 Cb 0.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2bc5 h GLU 49 CO 0.00 0.11 0.00 -0.25 -0.73 0.00 0.00 179.01 178.14 2bc5 n ASP 50 N -4.39 4.15 -4.93 1.04 8.00 -1.26 -4.93 116.55 114.23 2bc5 n ASP 50 Ca 0.24 -2.14 -0.28 0.00 0.71 0.00 0.00 54.79 53.33 2bc5 n ASP 50 Cb 1.04 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2bc5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2bc5 s LYS 51 N -1.29 3.52 0.54 -1.24 -0.14 0.37 -5.09 119.74 116.41 2bc5 s LYS 51 Ca 0.49 -0.34 -0.18 0.00 -1.36 0.00 0.00 55.97 54.59 2bc5 s LYS 51 Cb 0.28 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 33.52 2bc5 s LYS 51 CO 0.30 0.41 1.04 -1.54 -0.76 0.00 0.00 175.35 174.81 2bc5 s SER 52 N -3.11 6.10 0.59 2.83 1.04 -1.26 -4.94 113.70 114.94 2bc5 s SER 52 Ca 0.38 1.84 0.37 0.00 0.48 0.00 0.00 55.95 59.02 2bc5 s SER 52 Cb -0.11 -2.54 1.74 0.00 0.10 0.00 0.00 66.02 65.21 2bc5 s SER 52 CO 0.29 -0.95 2.13 -0.65 0.98 0.00 0.00 173.24 175.03 2bc5 h PRO 53 N 0.95 0.00 -0.65 4.02 0.11 -1.98 -2.15 132.00 132.29 2bc5 h PRO 53 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bc5 h PRO 53 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bc5 h PRO 53 CO 0.58 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 2bc5 n ASP 54 N -3.12 4.47 -4.76 -2.05 10.43 -1.26 -4.56 116.55 115.71 2bc5 n ASP 54 Ca -0.01 -2.32 -0.33 0.00 2.57 0.00 0.00 54.79 54.70 2bc5 n ASP 54 Cb 0.22 -0.54 0.07 0.00 1.84 0.00 0.00 41.12 42.71 2bc5 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2bc5 s SER 55 N -0.96 4.77 0.39 -2.24 1.04 -0.81 -4.84 113.70 111.05 2bc5 s SER 55 Ca 0.49 2.04 0.08 0.00 0.48 0.00 0.00 55.95 59.04 2bc5 s SER 55 Cb 0.30 -2.55 0.85 0.00 0.10 0.00 0.00 66.02 64.71 2bc5 s SER 55 CO 0.26 -1.86 1.99 -0.65 0.98 0.00 0.00 173.24 173.97 2bc5 h PRO 56 N -0.28 0.60 -0.35 4.02 0.11 -1.93 -2.27 132.00 131.90 2bc5 h PRO 56 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2bc5 h PRO 56 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2bc5 h PRO 56 CO 0.52 0.40 0.17 0.93 -0.21 0.00 0.00 178.00 179.81 2bc5 h GLU 57 N 0.62 0.50 -0.41 1.05 3.07 -1.93 -0.72 114.58 116.76 2bc5 h GLU 57 Ca 0.26 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2bc5 h GLU 57 Cb 0.25 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2bc5 h GLU 57 CO -0.08 0.45 -0.01 0.52 -1.40 0.00 0.00 179.01 178.49 2bc5 h MET 58 N 0.43 0.73 -0.39 2.33 2.86 -1.71 0.18 114.93 119.35 2bc5 h MET 58 Ca 0.12 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2bc5 h MET 58 Cb 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2bc5 h MET 58 CO -0.02 0.82 0.11 -1.49 1.06 0.00 0.00 176.91 177.39 2bc5 h TRP 59 N 0.55 0.58 -0.26 -0.22 -0.00 -1.31 0.33 115.95 115.63 2bc5 h TRP 59 Ca 0.11 -0.03 -0.15 0.00 -0.00 0.00 0.00 58.89 58.82 2bc5 h TRP 59 Cb 0.50 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 2bc5 h TRP 59 CO 0.04 0.50 -0.44 0.22 -0.00 0.00 0.00 178.44 178.75 2bc5 h ASP 60 N 0.57 0.71 -0.32 -3.49 3.58 -0.74 0.88 116.42 117.61 2bc5 h ASP 60 Ca 0.13 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 2bc5 h ASP 60 Cb 0.20 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2bc5 h ASP 60 CO -0.01 1.05 0.13 0.15 -2.88 0.00 0.00 179.24 177.69 2bc5 h PHE 61 N 0.53 0.49 -0.09 0.28 3.57 0.60 -2.29 116.94 120.03 2bc5 h PHE 61 Ca 0.04 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2bc5 h PHE 61 Cb 0.98 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2bc5 h PHE 61 CO 0.05 0.46 -0.31 0.00 -2.23 0.00 0.00 178.31 176.28 2bc5 h ARG 62 N 0.37 0.17 -0.83 1.11 3.08 -0.18 -2.68 114.38 115.42 2bc5 h ARG 62 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2bc5 h ARG 62 Cb 0.18 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2bc5 h ARG 62 CO -0.01 0.46 0.49 1.25 -1.07 0.00 0.00 179.97 181.09 2bc5 h HIS 63 N 0.15 1.10 -0.81 3.04 2.76 -0.34 -2.04 115.15 119.02 2bc5 h HIS 63 Ca 0.02 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.36 2bc5 h HIS 63 Cb 0.62 -0.36 -0.11 0.00 1.55 0.00 0.00 27.41 29.12 2bc5 h HIS 63 CO 0.01 0.74 0.31 0.78 -1.30 0.00 0.00 177.93 178.47 2bc5 h GLY 64 N 1.14 1.26 2.00 5.26 0.00 -1.06 0.19 103.07 111.86 2bc5 h GLY 64 Ca 0.30 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 2bc5 h GLY 64 CO -0.05 -0.18 -0.55 0.74 0.00 0.00 0.00 176.54 176.49 2bc5 h PHE 65 N 0.39 0.00 -0.54 5.60 -1.00 -1.46 -2.27 116.94 117.67 2bc5 h PHE 65 Ca 0.47 0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.27 2bc5 h PHE 65 Cb 0.80 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.32 2bc5 h PHE 65 CO -0.18 0.55 0.34 -0.44 -1.61 0.00 0.00 178.31 176.97 2bc5 h ASP 66 N 0.00 0.56 0.07 2.17 3.32 -0.12 0.40 116.42 122.81 2bc5 h ASP 66 Ca -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2bc5 h ASP 66 Cb 1.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2bc5 h ASP 66 CO 0.07 0.39 -0.03 0.40 -1.72 0.00 0.00 179.24 178.35 2bc5 h ILE 67 N 0.67 0.96 -0.62 0.35 1.08 -1.18 -1.74 117.51 117.04 2bc5 h ILE 67 Ca 0.21 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 2bc5 h ILE 67 Cb -0.01 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2bc5 h ILE 67 CO -0.08 0.03 0.34 0.25 -0.69 0.00 0.00 178.15 178.00 2bc5 h LEU 68 N -0.15 0.52 -0.77 1.44 5.85 -0.99 -0.20 115.31 121.01 2bc5 h LEU 68 Ca -0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2bc5 h LEU 68 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2bc5 h LEU 68 CO 0.02 0.35 0.02 0.58 -0.34 0.00 0.00 178.44 179.06 2bc5 h VAL 69 N 0.65 1.26 -0.08 1.05 2.07 -0.82 0.73 116.25 121.11 2bc5 h VAL 69 Ca 0.27 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2bc5 h VAL 69 Cb 0.13 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2bc5 h VAL 69 CO -0.16 0.39 0.05 1.23 0.02 0.00 0.00 177.57 179.10 2bc5 h GLY 70 N 1.00 0.12 0.90 2.17 0.00 -0.61 0.14 103.07 106.80 2bc5 h GLY 70 Ca 0.17 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2bc5 h GLY 70 CO 0.02 0.05 0.63 1.46 0.00 0.00 0.00 176.54 178.70 2bc5 h GLN 71 N 0.06 1.16 -0.45 4.80 4.20 -0.70 0.09 115.11 124.28 2bc5 h GLN 71 Ca 0.03 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2bc5 h GLN 71 Cb 0.06 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2bc5 h GLN 71 CO -0.01 0.77 -0.14 0.82 -0.67 0.00 0.00 178.83 179.60 2bc5 h ILE 72 N 1.19 1.27 -0.17 2.54 2.04 -0.42 -1.73 117.51 122.23 2bc5 h ILE 72 Ca 0.39 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 2bc5 h ILE 72 Cb 0.04 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2bc5 h ILE 72 CO -0.13 0.43 -0.28 0.44 0.00 0.00 0.00 178.15 178.62 2bc5 h ASP 73 N 0.71 0.32 -0.44 1.72 3.32 -0.02 0.79 116.42 122.82 2bc5 h ASP 73 Ca 0.11 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2bc5 h ASP 73 Cb 0.69 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2bc5 h ASP 73 CO 0.05 0.59 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.29 2bc5 h ASP 74 N 0.28 0.90 -0.65 6.45 -0.00 -0.81 -1.11 116.42 121.48 2bc5 h ASP 74 Ca 0.04 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.03 56.72 2bc5 h ASP 74 Cb 0.64 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 39.70 2bc5 h ASP 74 CO 0.05 1.01 0.13 0.00 -0.00 0.00 0.00 179.24 180.43 2bc5 h ALA 75 N 1.07 0.86 -0.38 -0.78 0.00 -0.37 -2.04 119.26 117.61 2bc5 h ALA 75 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bc5 h ALA 75 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2bc5 h ALA 75 CO 0.04 0.60 0.25 -0.07 0.00 0.00 0.00 179.25 180.08 2bc5 h LEU 76 N 0.98 0.44 -0.36 0.00 -0.00 -0.42 0.13 115.31 116.07 2bc5 h LEU 76 Ca 0.20 -0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.13 2bc5 h LEU 76 Cb 0.41 -0.11 -0.05 0.00 -0.00 0.00 0.00 40.66 40.90 2bc5 h LEU 76 CO 0.01 0.32 0.03 0.50 -0.00 0.00 0.00 178.44 179.30 2bc5 h LYS 77 N 0.52 0.13 -0.29 1.13 3.64 -0.94 0.23 116.57 120.98 2bc5 h LYS 77 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2bc5 h LYS 77 Cb -0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2bc5 h LYS 77 CO -0.03 0.08 0.18 -0.07 -2.27 0.00 0.00 179.45 177.34 2bc5 h LEU 78 N 0.13 0.35 -0.57 5.20 3.38 -0.95 -2.16 115.31 120.70 2bc5 h LEU 78 Ca 0.18 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2bc5 h LEU 78 Cb 0.23 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2bc5 h LEU 78 CO -0.27 0.30 0.29 0.00 0.09 0.00 0.00 178.44 178.84 2bc5 h ALA 79 N 1.07 0.74 0.00 1.53 0.00 0.06 -0.90 119.26 121.75 2bc5 h ALA 79 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bc5 h ALA 79 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bc5 h ALA 79 CO -0.02 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.26 2bc5 n ASN 80 N -4.87 0.00 -0.61 0.00 4.13 0.73 -1.46 115.26 113.19 2bc5 n ASN 80 Ca 0.06 -0.54 0.12 0.00 1.68 0.00 0.00 54.58 55.90 2bc5 n ASN 80 Cb 0.16 -0.11 0.22 0.00 -1.54 0.00 0.00 39.78 38.52 2bc5 n ASN 80 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2bc5 n GLU 81 N -1.11 1.64 -0.50 3.52 1.02 -0.39 -4.93 120.64 119.89 2bc5 n GLU 81 Ca 0.17 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 2bc5 n GLU 81 Cb 0.13 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2bc5 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bc5 n GLY 82 N 1.32 0.91 3.27 0.62 0.00 -0.53 -4.98 105.19 105.81 2bc5 n GLY 82 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2bc5 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bc5 n LYS 83 N -2.00 3.31 0.02 1.61 5.02 -0.94 -4.84 118.16 120.35 2bc5 n LYS 83 Ca 0.00 -3.47 -0.11 0.00 -2.02 0.00 0.00 58.31 52.70 2bc5 n LYS 83 Cb 0.00 -3.17 -0.06 0.00 -0.02 0.00 0.00 35.03 31.78 2bc5 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bc5 h VAL 84 N 4.60 0.98 -0.57 -0.18 2.07 -1.85 -1.79 116.25 119.51 2bc5 h VAL 84 Ca 0.40 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.84 2bc5 h VAL 84 Cb 0.79 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2bc5 h VAL 84 CO 1.47 0.01 0.08 0.11 0.02 0.00 0.00 177.57 179.25 2bc5 h LYS 85 N 0.03 0.95 -0.89 1.57 1.57 -1.97 -0.45 116.57 117.37 2bc5 h LYS 85 Ca 0.02 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2bc5 h LYS 85 Cb 0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2bc5 h LYS 85 CO -0.03 0.91 0.58 0.93 -0.57 0.00 0.00 179.45 181.27 2bc5 h GLU 86 N 0.84 1.18 -0.50 3.15 5.08 -1.95 0.40 114.58 122.79 2bc5 h GLU 86 Ca 0.17 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2bc5 h GLU 86 Cb 0.43 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bc5 h GLU 86 CO 0.01 0.79 0.21 0.00 -1.00 0.00 0.00 179.01 179.03 2bc5 h ALA 87 N 1.32 0.64 -0.86 3.43 0.00 -0.92 0.12 119.26 122.99 2bc5 h ALA 87 Ca 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2bc5 h ALA 87 Cb -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2bc5 h ALA 87 CO -0.07 0.24 0.43 1.96 0.00 0.00 0.00 179.25 181.81 2bc5 h GLN 88 N 0.66 1.24 -0.48 0.00 4.20 -0.57 -0.42 115.11 119.75 2bc5 h GLN 88 Ca 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2bc5 h GLN 88 Cb 0.17 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2bc5 h GLN 88 CO -0.02 0.94 0.25 0.00 -0.67 0.00 0.00 178.83 179.33 2bc5 h ALA 89 N 1.23 0.61 -0.42 3.87 0.00 -0.36 -1.59 119.26 122.61 2bc5 h ALA 89 Ca 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2bc5 h ALA 89 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2bc5 h ALA 89 CO -0.04 0.15 0.15 0.00 0.00 0.00 0.00 179.25 179.52 2bc5 h ALA 90 N 1.09 1.48 -0.25 0.00 0.00 -0.54 -1.52 119.26 119.52 2bc5 h ALA 90 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2bc5 h ALA 90 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2bc5 h ALA 90 CO -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 2bc5 h ALA 91 N 1.57 1.45 -0.53 0.00 0.00 -0.14 -2.51 119.26 119.11 2bc5 h ALA 91 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2bc5 h ALA 91 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2bc5 h ALA 91 CO -0.01 0.39 -0.05 0.93 0.00 0.00 0.00 179.25 180.50 2bc5 h GLU 92 N 0.37 0.98 -0.74 0.00 4.39 -0.61 -2.88 114.58 116.08 2bc5 h GLU 92 Ca 0.08 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.51 2bc5 h GLU 92 Cb 0.34 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2bc5 h GLU 92 CO 0.01 1.01 0.49 1.96 -1.16 0.00 0.00 179.01 181.32 2bc5 h GLN 93 N 0.85 0.72 -0.90 2.33 1.08 -1.10 -2.59 115.11 115.50 2bc5 h GLN 93 Ca 0.14 -0.04 0.25 0.00 -1.45 0.00 0.00 58.65 57.55 2bc5 h GLN 93 Cb 0.60 -0.16 -0.15 0.00 -0.05 0.00 0.00 27.48 27.72 2bc5 h GLN 93 CO 0.04 0.48 0.20 -0.07 -0.95 0.00 0.00 178.83 178.53 2bc5 h LEU 94 N 0.75 -0.10 -0.96 1.46 3.38 -1.31 -2.02 115.31 116.51 2bc5 h LEU 94 Ca 0.32 0.22 0.39 0.00 0.09 0.00 0.00 57.88 58.91 2bc5 h LEU 94 Cb 0.30 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 41.20 2bc5 h LEU 94 CO -0.11 -0.21 0.49 0.29 0.09 0.00 0.00 178.44 178.98 2bc5 n LYS 95 N -5.29 -0.06 -0.35 1.13 5.02 -0.98 0.76 118.16 118.40 2bc5 n LYS 95 Ca 0.22 1.33 0.06 0.00 -2.02 0.00 0.00 58.31 57.90 2bc5 n LYS 95 Cb 0.72 -2.37 0.22 0.00 -0.02 0.00 0.00 35.03 33.58 2bc5 n LYS 95 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2bc5 h THR 96 N 0.00 0.94 -0.44 -0.18 2.02 -1.59 0.31 112.91 113.97 2bc5 h THR 96 Ca 0.80 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 67.53 2bc5 h THR 96 Cb 2.10 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2bc5 h THR 96 CO -0.75 0.18 -0.17 0.74 0.37 0.00 0.00 175.52 175.89 2bc5 h THR 97 N 0.98 1.27 0.15 3.16 2.02 0.16 -1.66 112.91 118.99 2bc5 h THR 97 Ca 0.47 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2bc5 h THR 97 Cb 0.43 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2bc5 h THR 97 CO -0.25 0.45 -0.07 0.00 0.37 0.00 0.00 175.52 176.02 2bc5 h ASN 99 N -0.21 0.47 -0.25 0.00 -0.26 -0.94 -1.94 115.58 112.44 2bc5 h ASN 99 Ca -0.02 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.75 2bc5 h ASN 99 Cb 0.16 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 2bc5 h ASN 99 CO 0.03 0.33 0.08 0.00 -1.06 0.00 0.00 177.43 176.82 2bc5 h ALA 100 N 1.20 0.28 -0.48 -0.83 0.00 -1.22 -0.83 119.26 117.38 2bc5 h ALA 100 Ca 0.18 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2bc5 h ALA 100 Cb -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bc5 h ALA 100 CO -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 179.25 178.83 2bc5 h HIS 102 N 0.72 1.03 -0.61 0.00 -0.00 -1.03 0.98 115.15 116.24 2bc5 h HIS 102 Ca 0.13 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.54 2bc5 h HIS 102 Cb 0.54 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2bc5 h HIS 102 CO 0.04 0.59 0.40 0.37 -0.00 0.00 0.00 177.93 179.33 2bc5 h GLN 103 N 1.06 0.80 0.16 2.45 5.75 -0.86 -0.46 115.11 124.00 2bc5 h GLN 103 Ca 0.35 -0.05 -0.33 0.00 -0.15 0.00 0.00 58.65 58.48 2bc5 h GLN 103 Cb 0.07 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.45 2bc5 h GLN 103 CO -0.11 0.53 -1.62 0.87 -2.65 0.00 0.00 178.83 175.85 2bc5 h LYS 104 N 0.82 0.34 -0.00 1.69 1.57 -1.28 -3.42 116.57 116.30 2bc5 h LYS 104 Ca 0.22 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2bc5 h LYS 104 Cb -0.09 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2bc5 h LYS 104 CO -0.05 1.23 -0.05 0.66 -0.57 0.00 0.00 179.45 180.67 2bc5 n TYR 105 N -3.54 0.00 1.98 -1.35 4.02 0.29 -5.11 117.16 113.46 2bc5 n TYR 105 Ca -0.20 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.85 2bc5 n TYR 105 Cb 1.06 0.00 0.94 0.00 -0.02 0.00 0.00 39.34 41.32 2bc5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72