#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5hbi h VAL 3 N 0.00 1.25 -0.36 -3.33 2.07 -1.88 -1.94 116.25 112.06 5hbi h VAL 3 Ca 0.00 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 5hbi h VAL 3 Cb 0.00 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 5hbi h VAL 3 CO 0.00 0.28 0.03 1.88 0.02 0.00 0.00 177.57 179.78 5hbi h TYR 4 N 1.19 0.57 -0.05 1.57 0.05 -1.97 0.10 116.97 118.43 5hbi h TYR 4 Ca 0.30 -0.05 -0.23 0.00 0.05 0.00 0.00 58.73 58.80 5hbi h TYR 4 Cb 0.03 -0.17 0.02 0.00 1.01 0.00 0.00 36.73 37.62 5hbi h TYR 4 CO 0.01 0.54 -0.86 -0.44 -1.05 0.00 0.00 178.16 176.36 5hbi h ASP 5 N 0.53 0.85 -0.64 3.88 3.32 -1.92 -2.11 116.42 120.34 5hbi h ASP 5 Ca 0.12 -0.70 0.02 0.00 0.02 0.00 0.00 57.03 56.49 5hbi h ASP 5 Cb 0.30 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 5hbi h ASP 5 CO 0.01 1.43 0.41 0.00 -1.72 0.00 0.00 179.24 179.36 5hbi h ALA 6 N 0.44 0.82 -0.30 3.45 0.00 -1.08 -1.75 119.26 120.85 5hbi h ALA 6 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 5hbi h ALA 6 Cb 1.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 5hbi h ALA 6 CO 0.17 0.18 0.05 0.00 0.00 0.00 0.00 179.25 179.65 5hbi h ALA 7 N 1.26 1.53 0.00 0.00 0.00 -0.72 -2.14 119.26 119.20 5hbi h ALA 7 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 5hbi h ALA 7 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 5hbi h ALA 7 CO -0.08 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.52 5hbi h ALA 8 N 1.63 1.00 0.00 0.00 0.00 -0.61 -2.22 119.26 119.06 5hbi h ALA 8 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 5hbi h ALA 8 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 5hbi h ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 5hbi n GLN 9 N -2.80 0.25 -2.92 0.00 1.13 -0.80 -4.41 117.38 107.83 5hbi n GLN 9 Ca -0.00 0.07 -0.44 0.00 -1.94 0.00 0.00 57.00 54.69 5hbi n GLN 9 Cb 0.19 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 5hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 5hbi s LEU 10 N -2.69 4.98 0.96 1.08 1.43 -0.84 -4.93 118.68 118.67 5hbi s LEU 10 Ca 0.20 -2.56 -0.13 0.00 -1.03 0.00 0.00 54.13 50.60 5hbi s LEU 10 Cb 0.16 -2.41 0.17 0.00 0.03 0.00 0.00 46.19 44.14 5hbi s LEU 10 CO 0.38 -0.90 1.15 0.42 0.23 0.00 0.00 176.35 177.62 5hbi s THR 11 N 2.18 1.95 0.23 5.49 -4.23 -1.26 -4.73 115.64 115.27 5hbi s THR 11 Ca 0.39 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 5hbi s THR 11 Cb -0.03 -2.71 0.21 0.00 1.34 0.00 0.00 72.50 71.31 5hbi s THR 11 CO -0.04 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.73 5hbi h ALA 12 N -1.69 0.85 -0.60 3.99 0.00 -1.97 0.24 119.26 120.08 5hbi h ALA 12 Ca -0.50 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 5hbi h ALA 12 Cb 1.32 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 5hbi h ALA 12 CO 0.56 -0.33 -0.01 -0.44 0.00 0.00 0.00 179.25 179.03 5hbi h ASP 13 N 0.25 1.04 -0.12 0.00 3.32 -1.99 -0.66 116.42 118.27 5hbi h ASP 13 Ca 0.38 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 5hbi h ASP 13 Cb 0.62 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 5hbi h ASP 13 CO -0.49 1.10 0.03 0.58 -1.72 0.00 0.00 179.24 178.74 5hbi h VAL 14 N 0.96 1.20 -0.94 -1.35 2.07 -1.60 -1.26 116.25 115.32 5hbi h VAL 14 Ca 0.17 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.11 5hbi h VAL 14 Cb 0.57 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 5hbi h VAL 14 CO 0.03 0.18 0.61 0.11 0.02 0.00 0.00 177.57 178.52 5hbi h LYS 15 N -0.01 1.14 -0.21 1.57 1.57 -0.80 -0.01 116.57 119.82 5hbi h LYS 15 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 5hbi h LYS 15 Cb 0.26 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 5hbi h LYS 15 CO 0.00 0.75 0.11 -0.22 -0.57 0.00 0.00 179.45 179.52 5hbi h LYS 16 N 1.17 0.30 -0.34 3.15 3.11 -0.84 -1.38 116.57 121.74 5hbi h LYS 16 Ca 0.38 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 58.11 5hbi h LYS 16 Cb 0.04 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 5hbi h LYS 16 CO -0.13 0.30 -0.08 -0.44 -2.81 0.00 0.00 179.45 176.28 5hbi h ASP 17 N 0.22 0.54 -0.10 4.20 3.32 -0.49 -1.19 116.42 122.93 5hbi h ASP 17 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 5hbi h ASP 17 Cb 0.09 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 5hbi h ASP 17 CO -0.01 0.67 0.03 -0.07 -1.72 0.00 0.00 179.24 178.14 5hbi h LEU 18 N 0.52 0.14 -0.48 1.55 3.38 -0.78 -1.79 115.31 117.85 5hbi h LEU 18 Ca 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 5hbi h LEU 18 Cb 0.47 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 5hbi h LEU 18 CO 0.02 0.30 0.11 0.03 0.09 0.00 0.00 178.44 178.99 5hbi h ARG 19 N -0.02 0.77 -0.52 1.13 3.08 -0.96 -0.24 114.38 117.62 5hbi h ARG 19 Ca 0.03 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 5hbi h ARG 19 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 5hbi h ARG 19 CO -0.00 0.76 0.23 -0.44 -1.07 0.00 0.00 179.97 179.45 5hbi h ASP 20 N 0.66 0.70 -0.10 7.04 3.32 -1.22 -0.29 116.42 126.53 5hbi h ASP 20 Ca 0.15 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 5hbi h ASP 20 Cb 0.34 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 5hbi h ASP 20 CO 0.00 0.65 -0.60 0.77 -1.72 0.00 0.00 179.24 178.34 5hbi h SER 21 N 0.69 0.79 -0.06 6.45 4.64 -1.24 -3.10 113.55 121.72 5hbi h SER 21 Ca 0.18 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 5hbi h SER 21 Cb 0.16 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 5hbi h SER 21 CO -0.02 1.21 0.03 -0.25 -0.87 0.00 0.00 176.83 176.93 5hbi h TRP 22 N 0.52 0.10 -0.92 4.77 2.91 -0.68 -0.80 115.95 121.86 5hbi h TRP 22 Ca -0.00 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.12 5hbi h TRP 22 Cb 1.19 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.73 5hbi h TRP 22 CO 0.06 0.09 0.56 -0.22 -1.03 0.00 0.00 178.44 177.90 5hbi h LYS 23 N 0.11 0.90 0.00 2.65 3.64 -0.97 0.19 116.57 123.09 5hbi h LYS 23 Ca 0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 5hbi h LYS 23 Cb 0.03 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 5hbi h LYS 23 CO -0.00 0.59 -0.22 0.28 -2.27 0.00 0.00 179.45 177.83 5hbi h VAL 24 N 0.93 0.49 0.00 2.00 2.07 -1.29 -3.30 116.25 117.14 5hbi h VAL 24 Ca 0.44 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 5hbi h VAL 24 Cb 0.39 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 5hbi h VAL 24 CO -0.25 0.16 -0.23 0.16 0.02 0.00 0.00 177.57 177.44 5hbi h ILE 25 N -1.00 0.54 0.00 4.57 3.07 -1.20 -2.49 117.51 121.00 5hbi h ILE 25 Ca -0.03 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.24 5hbi h ILE 25 Cb 0.45 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 5hbi h ILE 25 CO -0.02 0.22 0.00 1.23 -1.05 0.00 0.00 178.15 178.53 5hbi h GLY 26 N 2.15 0.00 2.00 0.16 0.00 -0.80 -3.16 103.07 103.42 5hbi h GLY 26 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 5hbi h GLY 26 CO 0.03 0.00 -0.18 1.48 0.00 0.00 0.00 176.54 177.87 5hbi h SER 27 N 0.00 0.00 -3.16 0.19 4.64 -1.52 -3.31 113.55 110.38 5hbi h SER 27 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 5hbi h SER 27 Cb 0.59 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.28 5hbi h SER 27 CO 0.00 0.18 -0.71 -0.62 -0.87 0.00 0.00 176.83 174.81 5hbi s ASP 28 N -6.11 3.74 0.14 4.97 2.15 -1.19 -4.97 116.67 115.39 5hbi s ASP 28 Ca 0.00 -3.30 -0.15 0.00 0.43 0.00 0.00 52.55 49.53 5hbi s ASP 28 Cb 0.10 -1.23 0.01 0.00 -0.30 0.00 0.00 42.92 41.51 5hbi s ASP 28 CO 0.62 -0.16 1.67 0.11 -0.17 0.00 0.00 175.17 177.23 5hbi h LYS 29 N 5.88 0.67 0.19 4.34 1.57 -1.76 -1.28 116.57 126.18 5hbi h LYS 29 Ca 0.11 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 5hbi h LYS 29 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.05 5hbi h LYS 29 CO 0.58 0.64 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.79 5hbi h LYS 30 N 0.57 -0.24 0.16 3.15 3.64 -1.92 -0.36 116.57 121.56 5hbi h LYS 30 Ca 0.14 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 5hbi h LYS 30 Cb 0.24 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 5hbi h LYS 30 CO -0.01 -0.09 -0.07 0.78 -2.27 0.00 0.00 179.45 177.79 5hbi h GLY 31 N -0.35 -0.22 2.00 5.01 0.00 -1.96 -1.36 103.07 106.19 5hbi h GLY 31 Ca -0.03 0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 5hbi h GLY 31 CO 0.04 -0.08 -0.61 3.43 0.00 0.00 0.00 176.54 179.32 5hbi h ASN 32 N -0.44 0.00 -0.02 0.19 2.35 -1.32 -1.26 115.58 115.09 5hbi h ASN 32 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 5hbi h ASN 32 Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 5hbi h ASN 32 CO 0.04 0.61 0.00 1.23 -1.65 0.00 0.00 177.43 177.66 5hbi h GLY 33 N 2.43 0.03 1.19 2.83 0.00 -1.01 -0.17 103.07 108.36 5hbi h GLY 33 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 5hbi h GLY 33 CO 0.08 0.02 0.04 -2.08 0.00 0.00 0.00 176.54 174.60 5hbi h VAL 34 N -0.25 1.26 -0.41 4.60 2.07 -1.19 -2.34 116.25 119.99 5hbi h VAL 34 Ca 0.00 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.50 5hbi h VAL 34 Cb 0.28 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 5hbi h VAL 34 CO 0.00 0.39 0.19 0.00 0.02 0.00 0.00 177.57 178.17 5hbi h ALA 35 N 1.12 0.51 -0.33 1.67 0.00 -1.10 0.32 119.26 121.44 5hbi h ALA 35 Ca 0.17 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 5hbi h ALA 35 Cb 0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 5hbi h ALA 35 CO 0.02 -0.17 -0.04 -0.07 0.00 0.00 0.00 179.25 178.99 5hbi h LEU 36 N 0.39 -0.21 -0.22 0.00 3.38 -0.71 -1.03 115.31 116.92 5hbi h LEU 36 Ca 0.18 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 5hbi h LEU 36 Cb 0.10 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 5hbi h LEU 36 CO -0.14 -0.07 -0.03 0.24 0.09 0.00 0.00 178.44 178.54 5hbi h MET 37 N 0.05 0.40 -0.08 1.13 2.86 -1.01 -1.27 114.93 117.00 5hbi h MET 37 Ca 0.16 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 5hbi h MET 37 Cb 0.23 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 5hbi h MET 37 CO -0.30 0.62 -0.30 1.79 1.06 0.00 0.00 176.91 179.78 5hbi h THR 38 N 0.14 1.25 -0.48 2.22 1.35 -0.80 -1.53 112.91 115.06 5hbi h THR 38 Ca 0.06 -1.17 -0.13 0.00 -0.55 0.00 0.00 66.41 64.62 5hbi h THR 38 Cb 0.46 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 5hbi h THR 38 CO 0.02 0.35 -0.19 0.74 -0.25 0.00 0.00 175.52 176.18 5hbi h THR 39 N 0.14 1.27 -0.02 6.82 2.02 -1.03 -0.40 112.91 121.71 5hbi h THR 39 Ca 0.02 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.86 5hbi h THR 39 Cb 0.60 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 5hbi h THR 39 CO 0.04 0.47 -0.07 0.25 0.37 0.00 0.00 175.52 176.59 5hbi h LEU 40 N 0.84 -0.19 -0.73 2.58 5.85 -0.57 -0.28 115.31 122.81 5hbi h LEU 40 Ca 0.11 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 5hbi h LEU 40 Cb 0.76 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 5hbi h LEU 40 CO 0.06 -0.10 0.09 -0.26 -0.34 0.00 0.00 178.44 177.90 5hbi h PHE 41 N -0.11 1.13 -0.30 1.25 0.04 -1.15 0.37 116.94 118.17 5hbi h PHE 41 Ca 0.03 -0.16 -0.17 0.00 2.80 0.00 0.00 57.97 60.48 5hbi h PHE 41 Cb 0.15 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 5hbi h PHE 41 CO -0.14 0.96 -0.47 0.00 -0.60 0.00 0.00 178.31 178.05 5hbi h ALA 42 N 1.09 0.47 0.00 2.45 0.00 -0.91 -2.83 119.26 119.54 5hbi h ALA 42 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 5hbi h ALA 42 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 5hbi h ALA 42 CO 0.01 0.63 -0.68 -0.44 0.00 0.00 0.00 179.25 178.77 5hbi h ASP 43 N 0.64 0.00 -2.02 0.00 3.32 -0.81 -3.38 116.42 114.17 5hbi h ASP 43 Ca 0.03 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.55 5hbi h ASP 43 Cb 1.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 5hbi h ASP 43 CO 0.11 0.14 -1.11 0.59 -1.72 0.00 0.00 179.24 177.25 5hbi n ASN 44 N -2.91 0.84 0.13 6.45 4.13 0.13 -4.96 115.26 119.07 5hbi n ASN 44 Ca 0.00 -2.92 0.20 0.00 1.68 0.00 0.00 54.58 53.53 5hbi n ASN 44 Cb 0.61 -0.63 0.75 0.00 -1.54 0.00 0.00 39.78 38.97 5hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 5hbi h GLN 45 N 3.47 0.00 0.00 3.52 4.20 -1.68 -0.49 115.11 124.12 5hbi h GLN 45 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 5hbi h GLN 45 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 5hbi h GLN 45 CO 0.51 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.82 5hbi n GLU 46 N -3.57 0.04 0.06 1.46 0.00 -1.26 -2.64 120.64 114.72 5hbi n GLU 46 Ca 0.06 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.67 5hbi n GLU 46 Cb 0.59 -1.58 0.14 0.00 0.00 0.00 0.00 31.44 30.59 5hbi n GLU 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 5hbi h THR 47 N 0.00 0.00 -0.70 3.84 1.35 -1.44 -3.39 112.91 112.57 5hbi h THR 47 Ca 0.00 -0.52 0.07 0.00 -0.55 0.00 0.00 66.41 65.42 5hbi h THR 47 Cb 0.23 1.05 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 5hbi h THR 47 CO 0.00 0.00 0.46 0.40 -0.25 0.00 0.00 175.52 176.13 5hbi h ILE 48 N 0.00 0.99 -1.00 6.82 2.04 -1.69 -2.16 117.51 122.51 5hbi h ILE 48 Ca 0.00 -0.24 0.22 0.00 1.00 0.00 0.00 64.86 65.84 5hbi h ILE 48 Cb 0.76 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 5hbi h ILE 48 CO 0.00 0.13 0.62 1.23 0.00 0.00 0.00 178.15 180.13 5hbi h GLY 49 N 0.69 1.57 2.00 5.37 0.00 -1.81 -0.37 103.07 110.52 5hbi h GLY 49 Ca 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 5hbi h GLY 49 CO -0.10 -0.11 -0.10 -0.97 0.00 0.00 0.00 176.54 175.26 5hbi h TYR 50 N 0.60 0.00 -0.98 5.60 0.05 -1.70 -2.96 116.97 117.58 5hbi h TYR 50 Ca 0.58 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.79 5hbi h TYR 50 Cb 1.14 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.58 5hbi h TYR 50 CO -0.00 0.10 0.71 1.19 -1.05 0.00 0.00 178.16 179.10 5hbi n PHE 51 N -4.24 3.09 -0.28 4.88 3.72 -0.15 -4.59 117.46 119.90 5hbi n PHE 51 Ca -0.03 -2.32 0.05 0.00 -0.05 0.00 0.00 57.45 55.10 5hbi n PHE 51 Cb 0.18 -1.13 0.19 0.00 -0.94 0.00 0.00 39.48 37.77 5hbi n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 5hbi h LYS 52 N 1.41 0.61 -0.03 -1.08 3.64 -1.62 -0.76 116.57 118.74 5hbi h LYS 52 Ca 0.61 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.97 5hbi h LYS 52 Cb 2.01 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.69 5hbi h LYS 52 CO 1.28 0.41 0.03 -0.09 -2.27 0.00 0.00 179.45 178.80 5hbi h ARG 53 N 0.63 0.00 0.00 1.90 2.43 -1.90 -2.31 114.38 115.13 5hbi h ARG 53 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 5hbi h ARG 53 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 5hbi h ARG 53 CO -0.32 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.42 5hbi n LEU 54 N -4.06 0.00 0.00 3.80 4.77 -0.29 -4.99 117.00 116.23 5hbi n LEU 54 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 5hbi n LEU 54 Cb 0.12 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 5hbi n LEU 54 CO 0.30 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 5hbi n GLY 55 N 1.17 1.13 3.58 -0.72 0.00 -0.87 -4.51 105.19 104.96 5hbi n GLY 55 Ca 0.16 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 5hbi n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5hbi s ASP 56 N -4.00 6.15 0.63 1.61 2.15 -1.26 -4.84 116.67 117.11 5hbi s ASP 56 Ca 0.00 -1.96 0.42 0.00 0.43 0.00 0.00 52.55 51.44 5hbi s ASP 56 Cb 0.00 -2.58 2.30 0.00 -0.30 0.00 0.00 42.92 42.34 5hbi s ASP 56 CO 0.00 -1.88 2.30 -0.37 -0.17 0.00 0.00 175.17 175.05 5hbi h VAL 57 N 6.04 0.00 0.00 1.11 -1.51 -1.93 -1.98 116.25 117.97 5hbi h VAL 57 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 5hbi h VAL 57 Cb 0.92 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 5hbi h VAL 57 CO 1.37 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 178.48 5hbi h SER 58 N 0.00 0.00 0.90 4.19 4.64 -1.98 -1.91 113.55 119.39 5hbi h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5hbi h SER 58 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 5hbi h SER 58 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 5hbi h GLN 59 N 0.00 0.00 0.00 4.77 4.20 -1.77 -3.48 115.11 118.83 5hbi h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 5hbi h GLN 59 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 5hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 5hbi n GLY 60 N 0.23 3.60 0.38 3.46 0.00 -0.72 -2.35 105.19 109.79 5hbi n GLY 60 Ca 0.03 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.15 5hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 5hbi h MET 61 N 0.00 0.10 0.00 1.61 1.85 -1.93 -0.97 114.93 115.60 5hbi h MET 61 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 5hbi h MET 61 Cb 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.01 5hbi h MET 61 CO 0.00 0.07 0.00 0.00 -0.40 0.00 0.00 176.91 176.58 5hbi h ALA 62 N 1.71 1.00 -1.96 0.39 0.00 -1.88 -3.41 119.26 115.11 5hbi h ALA 62 Ca 0.28 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.58 5hbi h ALA 62 Cb 0.96 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 5hbi h ALA 62 CO -0.03 0.00 0.51 1.21 0.00 0.00 0.00 179.25 180.94 5hbi s ASN 63 N -5.16 6.47 0.33 0.00 3.84 -0.37 -4.92 114.94 115.13 5hbi s ASN 63 Ca 0.02 0.03 0.01 0.00 0.21 0.00 0.00 52.86 53.14 5hbi s ASN 63 Cb 0.09 -2.43 0.57 0.00 -0.55 0.00 0.00 41.25 38.93 5hbi s ASN 63 CO 0.48 -1.01 1.96 0.44 -2.79 0.00 0.00 177.10 176.18 5hbi h ASP 64 N 9.05 0.73 -0.12 -4.21 3.32 -1.86 0.21 116.42 123.56 5hbi h ASP 64 Ca -0.24 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 5hbi h ASP 64 Cb 1.08 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 5hbi h ASP 64 CO 1.01 0.59 -0.57 0.11 -1.72 0.00 0.00 179.24 178.66 5hbi h LYS 65 N 0.83 0.71 -0.44 3.56 1.57 -1.91 -0.49 116.57 120.40 5hbi h LYS 65 Ca 0.21 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 5hbi h LYS 65 Cb 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 5hbi h LYS 65 CO -0.04 1.08 -0.17 1.25 -0.57 0.00 0.00 179.45 181.00 5hbi h LEU 66 N 0.54 0.92 -0.35 2.94 5.85 -1.69 -1.16 115.31 122.36 5hbi h LEU 66 Ca 0.01 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 5hbi h LEU 66 Cb 1.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 5hbi h LEU 66 CO 0.12 1.10 0.18 -0.09 -0.34 0.00 0.00 178.44 179.41 5hbi h ARG 67 N 0.74 0.50 -0.16 1.25 2.43 -0.77 -0.29 114.38 118.08 5hbi h ARG 67 Ca 0.10 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 5hbi h ARG 67 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 5hbi h ARG 67 CO 0.06 0.44 0.01 0.78 -1.51 0.00 0.00 179.97 179.75 5hbi h GLY 68 N 0.43 0.15 0.53 2.80 0.00 -1.04 -1.77 103.07 104.17 5hbi h GLY 68 Ca 0.12 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.51 5hbi h GLY 68 CO -0.02 -0.02 -0.00 0.84 0.00 0.00 0.00 176.54 177.34 5hbi h HIS 69 N 0.06 -0.02 -0.56 5.60 -0.00 -1.00 -2.16 115.15 117.06 5hbi h HIS 69 Ca 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 5hbi h HIS 69 Cb 0.08 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 5hbi h HIS 69 CO -0.15 -0.05 0.19 0.77 -0.00 0.00 0.00 177.93 178.68 5hbi h SER 70 N 0.08 0.81 -0.17 3.26 0.02 -0.72 -0.53 113.55 116.31 5hbi h SER 70 Ca 0.14 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 5hbi h SER 70 Cb 0.19 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 5hbi h SER 70 CO -0.24 0.80 0.10 0.40 -1.14 0.00 0.00 176.83 176.74 5hbi h ILE 71 N 0.78 1.09 -0.59 3.27 2.04 -1.23 -2.02 117.51 120.85 5hbi h ILE 71 Ca 0.18 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.82 5hbi h ILE 71 Cb 0.27 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 5hbi h ILE 71 CO -0.01 0.08 0.38 0.40 0.00 0.00 0.00 178.15 179.01 5hbi h ILE 72 N 0.19 1.16 -0.71 -0.67 2.04 -1.15 -0.83 117.51 117.54 5hbi h ILE 72 Ca 0.06 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 5hbi h ILE 72 Cb 0.04 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 5hbi h ILE 72 CO -0.01 0.16 0.19 0.25 0.00 0.00 0.00 178.15 178.73 5hbi h LEU 73 N 0.81 1.06 -1.24 1.44 6.46 -0.77 -2.01 115.31 121.06 5hbi h LEU 73 Ca 0.22 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 5hbi h LEU 73 Cb -0.08 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.56 5hbi h LEU 73 CO -0.05 1.01 -0.38 0.24 -0.62 0.00 0.00 178.44 178.64 5hbi h MET 74 N 1.06 0.00 0.00 1.25 2.86 -0.45 -1.43 114.93 118.22 5hbi h MET 74 Ca 0.22 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 5hbi h MET 74 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 5hbi h MET 74 CO -0.00 0.38 -0.33 1.88 1.06 0.00 0.00 176.91 179.90 5hbi h TYR 75 N 0.00 0.00 -0.50 -0.22 0.05 -0.90 -0.30 116.97 115.10 5hbi h TYR 75 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 5hbi h TYR 75 Cb 0.68 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 5hbi h TYR 75 CO 0.00 0.33 0.01 0.00 -1.05 0.00 0.00 178.16 177.45 5hbi h ALA 76 N 1.67 0.67 -0.54 3.88 0.00 -0.56 -0.66 119.26 123.73 5hbi h ALA 76 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 5hbi h ALA 76 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 5hbi h ALA 76 CO 0.04 0.48 -0.00 -0.07 0.00 0.00 0.00 179.25 179.70 5hbi h LEU 77 N 0.74 0.93 -0.64 0.00 3.38 -1.17 -1.76 115.31 116.80 5hbi h LEU 77 Ca 0.14 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.90 5hbi h LEU 77 Cb 0.51 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 5hbi h LEU 77 CO 0.02 1.01 0.24 -0.61 0.09 0.00 0.00 178.44 179.20 5hbi h GLN 78 N 0.82 0.41 -0.04 1.13 5.75 -0.90 -1.70 115.11 120.59 5hbi h GLN 78 Ca 0.15 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 5hbi h GLN 78 Cb 0.54 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 5hbi h GLN 78 CO 0.03 0.27 -0.01 -0.97 -2.65 0.00 0.00 178.83 175.50 5hbi h ASN 79 N 0.43 -0.03 -0.75 -0.69 -0.73 -0.81 -1.26 115.58 111.74 5hbi h ASN 79 Ca 0.32 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.56 5hbi h ASN 79 Cb 0.41 0.02 -0.06 0.00 0.27 0.00 0.00 38.32 38.96 5hbi h ASN 79 CO -0.32 -0.01 0.44 -0.26 -0.37 0.00 0.00 177.43 176.92 5hbi h PHE 80 N 0.00 0.82 -0.51 0.67 0.04 -0.73 -1.72 116.94 115.52 5hbi h PHE 80 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 5hbi h PHE 80 Cb 0.03 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 5hbi h PHE 80 CO -0.10 0.41 0.20 0.82 -0.60 0.00 0.00 178.31 179.03 5hbi h ILE 81 N 0.82 1.22 0.00 -0.55 1.08 -1.09 -2.26 117.51 116.72 5hbi h ILE 81 Ca 0.33 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 5hbi h ILE 81 Cb 0.18 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.63 5hbi h ILE 81 CO -0.18 0.26 -0.10 0.44 -0.69 0.00 0.00 178.15 177.88 5hbi h ASP 82 N 0.69 0.00 -0.12 1.72 3.32 -0.63 -2.36 116.42 119.05 5hbi h ASP 82 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 5hbi h ASP 82 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 5hbi h ASP 82 CO -0.01 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 5hbi n GLN 83 N -3.33 1.79 0.06 3.56 1.13 -0.70 -4.44 117.38 115.44 5hbi n GLN 83 Ca -0.01 -1.17 0.07 0.00 -1.94 0.00 0.00 57.00 53.96 5hbi n GLN 83 Cb 0.30 -1.44 0.51 0.00 0.11 0.00 0.00 30.24 29.72 5hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 5hbi h LEU 84 N 2.55 0.30 -1.30 1.08 3.38 -1.18 -1.67 115.31 118.46 5hbi h LEU 84 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 5hbi h LEU 84 Cb 0.55 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 5hbi h LEU 84 CO 0.00 0.21 0.01 0.44 0.09 0.00 0.00 178.44 179.19 5hbi h ASP 85 N 0.35 0.44 -3.68 -0.43 3.32 -1.82 -3.39 116.42 111.20 5hbi h ASP 85 Ca 0.13 -0.07 -0.66 0.00 0.02 0.00 0.00 57.03 56.45 5hbi h ASP 85 Cb 0.09 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 39.13 5hbi h ASP 85 CO -0.03 0.50 -0.72 0.21 -1.72 0.00 0.00 179.24 177.48 5hbi s ASN 86 N -6.76 4.75 0.55 6.45 3.84 -0.63 -4.99 114.94 118.16 5hbi s ASN 86 Ca -0.07 -2.15 0.26 0.00 0.21 0.00 0.00 52.86 51.10 5hbi s ASN 86 Cb 0.16 -1.61 1.46 0.00 -0.55 0.00 0.00 41.25 40.71 5hbi s ASN 86 CO 0.75 -0.38 2.03 -0.65 -2.79 0.00 0.00 177.10 176.06 5hbi h PRO 87 N 7.62 0.00 -0.19 0.43 0.11 -1.78 -1.31 132.00 136.88 5hbi h PRO 87 Ca -0.04 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 5hbi h PRO 87 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 5hbi h PRO 87 CO 0.52 0.00 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.44 5hbi h ASP 88 N 0.00 0.49 0.33 -2.05 3.32 -1.94 -1.55 116.42 115.03 5hbi h ASP 88 Ca 0.18 -0.22 -0.33 0.00 0.02 0.00 0.00 57.03 56.68 5hbi h ASP 88 Cb 0.78 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.21 5hbi h ASP 88 CO -0.00 0.86 -1.53 0.44 -1.72 0.00 0.00 179.24 177.29 5hbi h ASP 89 N 0.38 0.65 -0.38 6.45 3.32 -1.61 -2.89 116.42 122.33 5hbi h ASP 89 Ca 0.03 -0.79 0.04 0.00 0.02 0.00 0.00 57.03 56.33 5hbi h ASP 89 Cb 0.92 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 5hbi h ASP 89 CO 0.08 1.63 0.15 0.25 -1.72 0.00 0.00 179.24 179.64 5hbi h LEU 90 N 0.11 0.19 -0.65 1.55 5.85 -1.24 -2.18 115.31 118.94 5hbi h LEU 90 Ca -0.26 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 5hbi h LEU 90 Cb 2.10 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 5hbi h LEU 90 CO 0.22 0.15 0.27 0.58 -0.34 0.00 0.00 178.44 179.32 5hbi h VAL 91 N 0.32 1.23 0.00 1.05 2.07 -1.34 -0.80 116.25 118.79 5hbi h VAL 91 Ca 0.17 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 5hbi h VAL 91 Cb 0.12 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 5hbi h VAL 91 CO -0.15 0.29 -0.48 0.00 0.02 0.00 0.00 177.57 177.25 5hbi h VAL 93 N 0.00 1.45 0.02 0.00 -1.51 -1.17 -2.71 116.25 112.32 5hbi h VAL 93 Ca -0.00 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 5hbi h VAL 93 Cb 0.93 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.68 5hbi h VAL 93 CO 0.06 0.79 -0.03 0.58 -1.23 0.00 0.00 177.57 177.74 5hbi h VAL 94 N 0.16 0.92 -0.19 7.19 2.07 -0.76 -1.97 116.25 123.66 5hbi h VAL 94 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 5hbi h VAL 94 Cb 1.69 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 5hbi h VAL 94 CO 0.17 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.55 5hbi h GLU 95 N -0.07 0.26 -0.08 1.57 5.08 -1.04 0.63 114.58 120.93 5hbi h GLU 95 Ca 0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 5hbi h GLU 95 Cb 0.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 5hbi h GLU 95 CO -0.02 0.18 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.84 5hbi h LYS 96 N 0.26 0.22 -0.06 2.33 3.11 -1.11 -2.20 116.57 119.12 5hbi h LYS 96 Ca 0.07 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 5hbi h LYS 96 Cb -0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 5hbi h LYS 96 CO -0.01 0.66 -0.27 0.74 -2.81 0.00 0.00 179.45 177.76 5hbi h PHE 97 N -0.22 0.12 -0.63 1.91 0.04 -0.95 -2.48 116.94 114.73 5hbi h PHE 97 Ca 0.01 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.77 5hbi h PHE 97 Cb 0.63 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 5hbi h PHE 97 CO 0.09 0.38 0.42 0.00 -0.60 0.00 0.00 178.31 178.60 5hbi h ALA 98 N 1.63 0.81 -1.01 2.45 0.00 -0.73 -2.12 119.26 120.29 5hbi h ALA 98 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.95 5hbi h ALA 98 Cb 0.54 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 5hbi h ALA 98 CO 0.04 0.22 0.65 0.28 0.00 0.00 0.00 179.25 180.44 5hbi h VAL 99 N 0.85 1.09 0.00 0.00 2.07 -0.93 0.14 116.25 119.47 5hbi h VAL 99 Ca 0.24 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 5hbi h VAL 99 Cb -0.08 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.49 5hbi h VAL 99 CO -0.06 0.22 -0.10 0.78 0.02 0.00 0.00 177.57 178.43 5hbi h ASN 100 N 1.19 0.00 0.22 0.57 4.21 -1.23 -1.69 115.58 118.84 5hbi h ASN 100 Ca 0.43 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.60 5hbi h ASN 100 Cb 0.16 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.31 5hbi h ASN 100 CO -0.17 0.10 -2.02 1.41 -1.29 0.00 0.00 177.43 175.46 5hbi n HIS 101 N -3.86 0.81 -0.26 1.19 8.25 -0.01 -3.68 115.22 117.65 5hbi n HIS 101 Ca -0.02 0.22 -0.05 0.00 -0.26 0.00 0.00 57.72 57.61 5hbi n HIS 101 Cb 0.20 -1.13 0.06 0.00 1.12 0.00 0.00 29.99 30.24 5hbi n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 5hbi h ILE 102 N 0.03 1.22 0.00 1.59 2.04 -0.64 -1.09 117.51 120.66 5hbi h ILE 102 Ca -0.42 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 5hbi h ILE 102 Cb 2.04 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 5hbi h ILE 102 CO 0.05 0.23 -0.09 0.71 0.00 0.00 0.00 178.15 179.05 5hbi h THR 103 N 1.00 0.33 -0.40 -0.27 1.35 -1.47 -0.64 112.91 112.82 5hbi h THR 103 Ca 0.26 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 5hbi h THR 103 Cb 0.00 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 5hbi h THR 103 CO -0.05 0.09 0.00 0.54 -0.25 0.00 0.00 175.52 175.85 5hbi n ARG 104 N -3.37 2.08 -3.59 4.72 3.00 -0.52 -4.95 116.66 114.03 5hbi n ARG 104 Ca -0.01 -1.66 -0.25 0.00 -0.01 0.00 0.00 57.85 55.92 5hbi n ARG 104 Cb 0.27 -1.40 0.07 0.00 0.00 0.00 0.00 32.46 31.39 5hbi n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 5hbi n LYS 105 N 0.85 -7.24 -3.30 5.56 5.02 -0.25 -4.98 118.16 113.83 5hbi n LYS 105 Ca 0.17 0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 56.85 5hbi n LYS 105 Cb 0.42 -5.80 -0.08 0.00 -0.02 0.00 0.00 35.03 29.54 5hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 5hbi s ILE 106 N -3.30 5.11 0.75 -0.18 -1.09 -0.57 -5.02 121.20 116.90 5hbi s ILE 106 Ca 0.57 0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 59.63 5hbi s ILE 106 Cb -0.26 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 36.91 5hbi s ILE 106 CO 0.71 0.10 1.08 -0.94 -1.23 0.00 0.00 174.94 174.65 5hbi s SER 107 N 1.60 4.65 0.20 3.58 1.04 -1.26 -4.42 113.70 119.08 5hbi s SER 107 Ca 0.18 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 5hbi s SER 107 Cb -0.16 -1.11 0.13 0.00 0.10 0.00 0.00 66.02 64.98 5hbi s SER 107 CO 0.10 -1.74 1.84 0.00 0.98 0.00 0.00 173.24 174.42 5hbi h ALA 108 N -0.78 0.89 -0.60 5.32 0.00 -1.88 0.21 119.26 122.42 5hbi h ALA 108 Ca -0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 5hbi h ALA 108 Cb 1.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 5hbi h ALA 108 CO 0.61 0.35 0.35 0.00 0.00 0.00 0.00 179.25 180.56 5hbi h ALA 109 N 1.23 0.76 -0.08 0.00 0.00 -1.94 -0.84 119.26 118.39 5hbi h ALA 109 Ca 0.25 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 5hbi h ALA 109 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 5hbi h ALA 109 CO -0.05 0.25 -0.66 0.93 0.00 0.00 0.00 179.25 179.73 5hbi h GLU 110 N 0.81 0.31 -0.53 0.00 5.08 -1.86 -2.75 114.58 115.64 5hbi h GLU 110 Ca 0.21 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 5hbi h GLU 110 Cb -0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 5hbi h GLU 110 CO -0.04 0.86 0.21 0.35 -1.00 0.00 0.00 179.01 179.39 5hbi h PHE 111 N 0.22 0.76 0.00 4.33 3.57 -0.68 -1.91 116.94 123.23 5hbi h PHE 111 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.45 5hbi h PHE 111 Cb 1.19 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.70 5hbi h PHE 111 CO 0.03 0.59 0.00 0.78 -2.23 0.00 0.00 178.31 177.48 5hbi h GLY 112 N 0.89 0.00 2.00 2.40 0.00 -0.84 -1.95 103.07 105.57 5hbi h GLY 112 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 5hbi h GLY 112 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 5hbi n LYS 113 N -2.81 0.18 0.22 4.80 5.02 -0.72 -1.64 118.16 123.21 5hbi n LYS 113 Ca -0.02 0.51 0.15 0.00 -2.02 0.00 0.00 58.31 56.93 5hbi n LYS 113 Cb 0.06 -1.92 0.61 0.00 -0.02 0.00 0.00 35.03 33.76 5hbi n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 5hbi h ILE 114 N 0.00 0.00 -0.24 -0.18 6.09 -1.55 -3.19 117.51 118.44 5hbi h ILE 114 Ca 0.00 -0.39 -0.02 0.00 -1.37 0.00 0.00 64.86 63.08 5hbi h ILE 114 Cb 0.22 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 5hbi h ILE 114 CO 0.00 0.00 0.06 0.78 -3.07 0.00 0.00 178.15 175.92 5hbi h ASN 115 N 0.00 0.31 0.52 2.19 -0.26 -1.55 -1.60 115.58 115.19 5hbi h ASN 115 Ca 0.00 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 5hbi h ASN 115 Cb 0.44 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.63 5hbi h ASN 115 CO 0.00 0.32 -0.25 1.23 -1.06 0.00 0.00 177.43 177.67 5hbi h GLY 116 N 0.55 -0.73 -0.13 2.83 0.00 -1.77 -1.29 103.07 102.53 5hbi h GLY 116 Ca 0.08 0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.81 5hbi h GLY 116 CO -0.00 -0.26 -0.09 -2.55 0.00 0.00 0.00 176.54 173.63 5hbi h PRO 117 N -0.93 0.04 -0.53 4.80 0.11 -1.69 -1.89 132.00 131.91 5hbi h PRO 117 Ca -0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 5hbi h PRO 117 Cb 0.61 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 5hbi h PRO 117 CO 0.12 0.03 0.29 0.82 -0.21 0.00 0.00 178.00 179.04 5hbi h ILE 118 N 0.04 1.18 -0.72 4.15 2.04 -1.26 -0.25 117.51 122.69 5hbi h ILE 118 Ca 0.30 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.77 5hbi h ILE 118 Cb 0.47 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 5hbi h ILE 118 CO -0.57 0.19 0.40 0.50 0.00 0.00 0.00 178.15 178.67 5hbi h LYS 119 N 0.71 0.70 -0.30 2.37 3.64 -0.77 -0.79 116.57 122.14 5hbi h LYS 119 Ca 0.19 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 5hbi h LYS 119 Cb 0.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 5hbi h LYS 119 CO -0.03 0.47 -0.29 0.87 -2.27 0.00 0.00 179.45 178.19 5hbi h LYS 120 N 0.72 0.72 -0.17 1.90 1.57 -0.62 0.02 116.57 120.72 5hbi h LYS 120 Ca 0.33 -0.38 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 5hbi h LYS 120 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 5hbi h LYS 120 CO -0.21 1.00 -0.51 -0.39 -0.57 0.00 0.00 179.45 178.78 5hbi h VAL 121 N 0.47 1.33 -0.19 0.50 -1.51 -0.71 -1.46 116.25 114.68 5hbi h VAL 121 Ca 0.05 -1.74 -0.00 0.00 -1.23 0.00 0.00 66.70 63.77 5hbi h VAL 121 Cb 0.86 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 5hbi h VAL 121 CO 0.07 0.54 0.10 -0.07 -1.23 0.00 0.00 177.57 176.98 5hbi h LEU 122 N 0.36 0.23 -1.29 4.19 3.38 -1.04 -2.70 115.31 118.44 5hbi h LEU 122 Ca 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 5hbi h LEU 122 Cb 1.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 5hbi h LEU 122 CO 0.09 0.25 0.34 0.00 0.09 0.00 0.00 178.44 179.21 5hbi h ALA 123 N 1.00 1.47 0.00 1.53 0.00 -0.72 -0.15 119.26 122.38 5hbi h ALA 123 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 5hbi h ALA 123 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 5hbi h ALA 123 CO -0.01 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 5hbi n SER 124 N -4.40 0.51 -1.12 0.00 3.41 -0.57 -1.30 113.62 110.16 5hbi n SER 124 Ca 0.06 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 5hbi n SER 124 Cb 0.09 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.57 5hbi n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5hbi n LYS 125 N -2.06 3.14 -3.27 4.33 4.76 -0.22 -4.97 118.16 119.87 5hbi n LYS 125 Ca 0.02 -2.55 -0.17 0.00 -2.87 0.00 0.00 58.31 52.74 5hbi n LYS 125 Cb 0.21 -1.61 0.06 0.00 -1.84 0.00 0.00 35.03 31.85 5hbi n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 5hbi n ASN 126 N 0.79 -5.16 -4.14 4.39 2.85 -0.42 -5.01 115.26 108.56 5hbi n ASN 126 Ca 0.20 -0.38 -0.34 0.00 -0.11 0.00 0.00 54.58 53.95 5hbi n ASN 126 Cb 0.68 -3.77 -0.14 0.00 1.24 0.00 0.00 39.78 37.79 5hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 5hbi s PHE 127 N -3.22 3.32 0.00 1.20 0.08 -0.33 -4.98 117.98 114.05 5hbi s PHE 127 Ca 0.41 -2.09 0.00 0.00 0.12 0.00 0.00 56.93 55.37 5hbi s PHE 127 Cb -0.18 -2.21 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 5hbi s PHE 127 CO 0.51 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 5hbi n GLY 128 N 4.55 -1.16 0.37 4.36 0.00 -1.26 -2.60 105.19 109.45 5hbi n GLY 128 Ca -0.11 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.45 5hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 5hbi h ASP 129 N -0.05 0.67 -0.63 1.61 5.19 -1.98 -0.48 116.42 120.75 5hbi h ASP 129 Ca 0.00 0.05 0.13 0.00 -0.62 0.00 0.00 57.03 56.59 5hbi h ASP 129 Cb 0.00 -0.08 -0.11 0.00 0.18 0.00 0.00 39.33 39.32 5hbi h ASP 129 CO 0.00 0.31 -0.05 0.50 -3.12 0.00 0.00 179.24 176.88 5hbi h LYS 130 N 0.70 0.07 -0.09 3.56 3.64 -1.99 0.13 116.57 122.59 5hbi h LYS 130 Ca 0.48 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.63 5hbi h LYS 130 Cb 0.80 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 5hbi h LYS 130 CO -0.24 0.05 -0.82 1.88 -2.27 0.00 0.00 179.45 178.05 5hbi h TYR 131 N 0.07 0.99 -0.75 1.91 0.05 -1.43 -2.23 116.97 115.59 5hbi h TYR 131 Ca 0.32 -0.48 0.05 0.00 0.05 0.00 0.00 58.73 58.67 5hbi h TYR 131 Cb 0.52 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 5hbi h TYR 131 CO -0.42 1.31 0.49 0.00 -1.05 0.00 0.00 178.16 178.49 5hbi h ALA 132 N 0.48 1.61 -0.09 3.88 0.00 -0.87 -1.16 119.26 123.11 5hbi h ALA 132 Ca -0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 5hbi h ALA 132 Cb 1.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 5hbi h ALA 132 CO 0.17 0.29 -0.70 -0.91 0.00 0.00 0.00 179.25 178.10 5hbi h ASN 133 N 0.86 0.50 -0.24 0.00 -0.26 -0.60 -0.97 115.58 114.87 5hbi h ASN 133 Ca 0.31 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 5hbi h ASN 133 Cb 0.14 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 5hbi h ASN 133 CO -0.10 1.04 0.12 0.00 -1.06 0.00 0.00 177.43 177.44 5hbi h ALA 134 N 0.95 0.30 -0.27 -0.83 0.00 -0.76 -2.23 119.26 116.41 5hbi h ALA 134 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 5hbi h ALA 134 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 5hbi h ALA 134 CO 0.12 -0.15 -0.07 -1.49 0.00 0.00 0.00 179.25 177.66 5hbi h TRP 135 N 0.26 0.45 -0.59 0.00 4.06 -1.10 -2.14 115.95 116.88 5hbi h TRP 135 Ca 0.08 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 5hbi h TRP 135 Cb 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 5hbi h TRP 135 CO -0.03 0.49 0.31 0.00 -3.56 0.00 0.00 178.44 175.66 5hbi h ALA 136 N 1.53 1.43 -0.40 1.49 0.00 -0.77 -0.13 119.26 122.43 5hbi h ALA 136 Ca 0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 5hbi h ALA 136 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 5hbi h ALA 136 CO 0.02 0.46 -0.17 0.87 0.00 0.00 0.00 179.25 180.43 5hbi h LYS 137 N 0.83 0.74 -0.21 0.00 1.57 -0.81 0.11 116.57 118.80 5hbi h LYS 137 Ca 0.21 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 5hbi h LYS 137 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 5hbi h LYS 137 CO -0.03 0.87 -0.08 1.25 -0.57 0.00 0.00 179.45 180.89 5hbi h LEU 138 N 0.66 0.44 -1.26 2.94 5.85 -1.08 -2.62 115.31 120.23 5hbi h LEU 138 Ca 0.10 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.52 5hbi h LEU 138 Cb 0.66 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 5hbi h LEU 138 CO 0.05 0.73 0.55 0.58 -0.34 0.00 0.00 178.44 180.01 5hbi h VAL 139 N 0.14 0.97 -0.04 1.05 2.07 -0.83 -1.03 116.25 118.59 5hbi h VAL 139 Ca 0.05 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.30 5hbi h VAL 139 Cb 0.55 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 5hbi h VAL 139 CO 0.03 0.15 0.03 0.00 0.02 0.00 0.00 177.57 177.80 5hbi h ALA 140 N 1.57 1.92 -0.45 1.67 0.00 -0.60 -0.49 119.26 122.88 5hbi h ALA 140 Ca 0.39 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 5hbi h ALA 140 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 5hbi h ALA 140 CO -0.16 -0.05 -0.09 0.28 0.00 0.00 0.00 179.25 179.24 5hbi h VAL 141 N 0.00 1.27 -0.39 0.00 2.07 -0.99 -0.59 116.25 117.63 5hbi h VAL 141 Ca 0.02 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 5hbi h VAL 141 Cb 0.08 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 5hbi h VAL 141 CO -0.00 0.41 -0.30 0.58 0.02 0.00 0.00 177.57 178.28 5hbi h VAL 142 N 0.68 1.28 -0.86 2.57 2.07 -1.15 -2.92 116.25 117.91 5hbi h VAL 142 Ca 0.12 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.24 5hbi h VAL 142 Cb 0.62 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 5hbi h VAL 142 CO 0.04 0.49 0.53 1.56 0.02 0.00 0.00 177.57 180.21 5hbi h GLN 143 N 0.70 0.93 -0.02 1.57 4.20 -1.00 -0.21 115.11 121.27 5hbi h GLN 143 Ca 0.07 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.73 5hbi h GLN 143 Cb 0.88 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 5hbi h GLN 143 CO 0.08 0.61 0.08 0.00 -0.67 0.00 0.00 178.83 178.93 5hbi h ALA 144 N 1.42 1.24 -0.01 3.87 0.00 -0.90 -1.89 119.26 122.99 5hbi h ALA 144 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 5hbi h ALA 144 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 5hbi h ALA 144 CO -0.19 -0.09 -0.22 0.00 0.00 0.00 0.00 179.25 178.75 5hbi n ALA 145 N -2.13 3.01 1.12 0.00 0.00 -0.10 -4.34 120.51 118.07 5hbi n ALA 145 Ca -0.02 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.04 5hbi n ALA 145 Cb 0.15 -1.03 0.21 0.00 0.00 0.00 0.00 19.45 18.78 5hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78