#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 1.29 -0.89 -3.33 2.07 -1.90 -2.45 116.25 111.03 5hbi h VAL 3 Ca 0.00 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.51 5hbi h VAL 3 Cb 0.00 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 5hbi h VAL 3 CO 0.00 0.33 0.59 0.22 0.02 0.00 0.00 177.57 178.72 5hbi h TYR 4 N 0.17 1.07 -0.08 1.57 3.20 -1.95 -0.35 116.97 120.60 5hbi h TYR 4 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 5hbi h TYR 4 Cb 0.52 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 5hbi h TYR 4 CO 0.05 0.60 0.05 -0.44 -1.64 0.00 0.00 178.16 176.78 5hbi h ASP 5 N 1.09 0.08 -0.75 -2.11 3.32 -1.93 0.91 116.42 117.02 5hbi h ASP 5 Ca 0.36 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 5hbi h ASP 5 Cb 0.07 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 5hbi h ASP 5 CO -0.12 0.06 0.47 0.00 -1.72 0.00 0.00 179.24 177.93 5hbi h ALA 6 N 1.03 1.39 0.65 3.45 0.00 -0.97 -1.91 119.26 122.90 5hbi h ALA 6 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 5hbi h ALA 6 Cb -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.48 5hbi h ALA 6 CO -0.01 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 179.46 5hbi h ALA 7 N 1.47 -0.87 -0.19 0.00 0.00 -0.68 -3.21 119.26 115.78 5hbi h ALA 7 Ca 0.27 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.04 5hbi h ALA 7 Cb -0.06 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 5hbi h ALA 7 CO -0.05 -0.81 0.41 0.00 0.00 0.00 0.00 179.25 178.80 5hbi h ALA 8 N -1.19 1.71 -0.00 0.00 0.00 -0.69 -0.52 119.26 118.56 5hbi h ALA 8 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 5hbi h ALA 8 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 5hbi h ALA 8 CO 0.15 -0.51 -0.19 0.00 0.00 0.00 0.00 179.25 178.69 5hbi n GLN 9 N -3.24 0.08 -1.86 0.00 -0.00 -0.73 -4.79 117.38 106.85 5hbi n GLN 9 Ca 0.02 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.00 56.57 5hbi n GLN 9 Cb 0.51 -1.50 -0.03 0.00 -0.00 0.00 0.00 30.24 29.23 5hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 5hbi s LEU 10 N -2.93 3.92 0.76 2.61 1.43 -0.21 -4.96 118.68 119.29 5hbi s LEU 10 Ca 0.15 1.97 -0.09 0.00 -1.03 0.00 0.00 54.13 55.13 5hbi s LEU 10 Cb 0.19 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.96 5hbi s LEU 10 CO 0.58 -1.39 1.10 0.42 0.23 0.00 0.00 176.35 177.29 5hbi s THR 11 N 5.84 2.14 0.27 5.49 -4.23 -1.26 -4.83 115.64 119.05 5hbi s THR 11 Ca 0.84 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 5hbi s THR 11 Cb -0.32 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.79 5hbi s THR 11 CO 0.34 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.28 5hbi h ALA 12 N -0.84 1.39 -0.33 3.99 0.00 -1.99 0.12 119.26 121.60 5hbi h ALA 12 Ca -0.45 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 5hbi h ALA 12 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 5hbi h ALA 12 CO 0.62 0.32 -0.36 0.38 0.00 0.00 0.00 179.25 180.20 5hbi h ASP 13 N 1.06 0.79 -0.34 0.00 2.03 -1.99 -0.85 116.42 117.11 5hbi h ASP 13 Ca 0.44 -0.34 -0.04 0.00 -0.73 0.00 0.00 57.03 56.36 5hbi h ASP 13 Cb 0.29 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 5hbi h ASP 13 CO -0.21 1.07 0.07 0.58 -1.03 0.00 0.00 179.24 179.72 5hbi h VAL 14 N 0.62 1.23 -0.89 4.15 2.07 -1.81 -0.75 116.25 120.88 5hbi h VAL 14 Ca 0.06 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 5hbi h VAL 14 Cb 0.90 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 5hbi h VAL 14 CO 0.08 0.27 0.47 0.11 0.02 0.00 0.00 177.57 178.52 5hbi h LYS 15 N 0.40 1.25 -0.16 1.57 1.57 -0.83 -0.40 116.57 119.97 5hbi h LYS 15 Ca 0.11 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 5hbi h LYS 15 Cb 0.33 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 5hbi h LYS 15 CO 0.00 0.93 0.05 -0.22 -0.57 0.00 0.00 179.45 179.65 5hbi h LYS 16 N 1.25 0.13 -0.74 3.15 1.63 -0.87 -0.39 116.57 120.73 5hbi h LYS 16 Ca 0.31 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 5hbi h LYS 16 Cb 0.06 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 5hbi h LYS 16 CO -0.05 0.08 0.31 -0.44 -3.45 0.00 0.00 179.45 175.91 5hbi h ASP 17 N 0.13 0.99 -0.13 4.20 3.32 -0.57 -0.03 116.42 124.33 5hbi h ASP 17 Ca 0.07 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 5hbi h ASP 17 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 5hbi h ASP 17 CO -0.08 0.87 0.05 -0.07 -1.72 0.00 0.00 179.24 178.29 5hbi h LEU 18 N 1.07 0.18 -0.53 1.55 3.38 -0.81 -1.51 115.31 118.63 5hbi h LEU 18 Ca 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 5hbi h LEU 18 Cb 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 5hbi h LEU 18 CO -0.02 0.30 0.21 0.03 0.09 0.00 0.00 178.44 179.04 5hbi h ARG 19 N 0.05 0.80 -0.34 1.13 3.08 -0.70 -0.08 114.38 118.34 5hbi h ARG 19 Ca 0.04 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 5hbi h ARG 19 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 5hbi h ARG 19 CO -0.00 0.71 0.05 -0.44 -1.07 0.00 0.00 179.97 179.22 5hbi h ASP 20 N 0.73 0.53 0.04 7.04 3.32 -0.95 -0.43 116.42 126.70 5hbi h ASP 20 Ca 0.18 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 5hbi h ASP 20 Cb 0.21 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 5hbi h ASP 20 CO -0.01 0.66 -0.36 0.77 -1.72 0.00 0.00 179.24 178.57 5hbi h SER 21 N 0.39 0.45 0.29 6.45 4.64 -1.17 -2.89 113.55 121.71 5hbi h SER 21 Ca 0.10 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 5hbi h SER 21 Cb 0.35 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 5hbi h SER 21 CO 0.01 0.78 -0.42 -0.25 -0.87 0.00 0.00 176.83 176.08 5hbi h TRP 22 N 0.37 0.20 -0.72 4.77 2.91 -0.71 0.12 115.95 122.89 5hbi h TRP 22 Ca 0.04 -0.05 0.18 0.00 1.13 0.00 0.00 58.89 60.19 5hbi h TRP 22 Cb 0.81 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.38 5hbi h TRP 22 CO 0.02 0.57 0.50 0.87 -1.03 0.00 0.00 178.44 179.38 5hbi h LYS 23 N 0.15 0.17 0.00 2.65 1.57 -0.85 0.24 116.57 120.49 5hbi h LYS 23 Ca 0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 5hbi h LYS 23 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 5hbi h LYS 23 CO 0.06 0.11 -1.06 0.28 -0.57 0.00 0.00 179.45 178.28 5hbi n VAL 24 N -4.40 1.48 0.23 0.50 0.31 -0.78 -3.97 118.33 111.70 5hbi n VAL 24 Ca 0.14 0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.66 5hbi n VAL 24 Cb 0.67 -2.27 0.55 0.00 -0.91 0.00 0.00 33.84 31.88 5hbi n VAL 24 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 5hbi h ILE 25 N -1.00 0.59 -0.00 2.52 3.07 -0.94 -2.42 117.51 119.32 5hbi h ILE 25 Ca -0.13 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 65.33 5hbi h ILE 25 Cb 0.94 1.63 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 5hbi h ILE 25 CO -0.08 0.20 -0.07 0.61 -1.05 0.00 0.00 178.15 177.76 5hbi n GLY 26 N -0.15 -1.40 0.09 0.16 0.00 0.83 -3.52 105.19 101.20 5hbi n GLY 26 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.99 5hbi n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5hbi n SER 27 N -1.43 0.65 -3.61 1.61 3.41 -0.91 -3.94 113.62 109.40 5hbi n SER 27 Ca 0.09 0.57 -0.28 0.00 -0.26 0.00 0.00 58.87 58.98 5hbi n SER 27 Cb 0.32 -0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 5hbi n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 5hbi s ASP 28 N -4.22 2.95 0.09 4.04 2.15 -1.23 -4.98 116.67 115.47 5hbi s ASP 28 Ca 0.11 -3.26 -0.19 0.00 0.43 0.00 0.00 52.55 49.65 5hbi s ASP 28 Cb 0.13 -0.93 -0.08 0.00 -0.30 0.00 0.00 42.92 41.74 5hbi s ASP 28 CO 0.57 -0.16 1.54 0.11 -0.17 0.00 0.00 175.17 177.07 5hbi h LYS 29 N 5.74 0.42 0.19 4.34 1.57 -1.77 -0.07 116.57 126.99 5hbi h LYS 29 Ca 0.18 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 5hbi h LYS 29 Cb 0.86 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 5hbi h LYS 29 CO 0.50 0.57 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.64 5hbi h LYS 30 N 0.21 -0.26 -0.15 3.15 3.64 -1.92 0.78 116.57 122.02 5hbi h LYS 30 Ca 0.07 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 5hbi h LYS 30 Cb 0.37 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 5hbi h LYS 30 CO 0.01 -0.17 0.01 0.78 -2.27 0.00 0.00 179.45 177.81 5hbi h GLY 31 N -0.27 0.29 1.67 5.01 0.00 -1.96 -2.18 103.07 105.62 5hbi h GLY 31 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 5hbi h GLY 31 CO 0.03 0.19 -0.80 3.43 0.00 0.00 0.00 176.54 179.39 5hbi h ASN 32 N 0.02 0.39 -0.24 0.19 2.35 -1.05 -1.48 115.58 115.76 5hbi h ASN 32 Ca 0.04 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.50 5hbi h ASN 32 Cb 0.35 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 5hbi h ASN 32 CO 0.01 1.04 0.09 1.23 -1.65 0.00 0.00 177.43 178.14 5hbi h GLY 33 N 1.48 0.40 1.15 2.83 0.00 -0.86 -0.33 103.07 107.72 5hbi h GLY 33 Ca -0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 5hbi h GLY 33 CO 0.13 0.21 0.09 -2.08 0.00 0.00 0.00 176.54 174.89 5hbi h VAL 34 N 0.23 1.26 -0.88 4.60 2.07 -1.37 -1.60 116.25 120.56 5hbi h VAL 34 Ca 0.08 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.58 5hbi h VAL 34 Cb 0.21 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 5hbi h VAL 34 CO -0.00 0.38 0.58 0.00 0.02 0.00 0.00 177.57 178.55 5hbi h ALA 35 N 1.11 1.12 -0.12 1.67 0.00 -1.06 0.33 119.26 122.31 5hbi h ALA 35 Ca 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.06 5hbi h ALA 35 Cb 0.44 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 5hbi h ALA 35 CO 0.01 0.51 0.02 -0.07 0.00 0.00 0.00 179.25 179.73 5hbi h LEU 36 N 1.19 -0.00 -0.25 0.00 3.38 -0.41 -1.09 115.31 118.12 5hbi h LEU 36 Ca 0.33 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 5hbi h LEU 36 Cb -0.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 5hbi h LEU 36 CO -0.07 0.02 -0.02 0.24 0.09 0.00 0.00 178.44 178.69 5hbi h MET 37 N 0.07 0.46 -0.49 1.13 2.86 -0.88 -1.35 114.93 116.73 5hbi h MET 37 Ca 0.06 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 5hbi h MET 37 Cb 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 5hbi h MET 37 CO -0.08 0.65 0.10 1.79 1.06 0.00 0.00 176.91 180.43 5hbi h THR 38 N 0.22 1.22 -0.27 2.22 1.35 -0.85 -1.79 112.91 115.01 5hbi h THR 38 Ca 0.07 -0.80 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 5hbi h THR 38 Cb 0.46 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 5hbi h THR 38 CO 0.02 0.29 -0.30 0.74 -0.25 0.00 0.00 175.52 176.03 5hbi h THR 39 N 0.73 1.28 -0.33 6.82 2.02 -1.01 -0.64 112.91 121.78 5hbi h THR 39 Ca 0.16 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.96 5hbi h THR 39 Cb 0.30 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 5hbi h THR 39 CO 0.00 0.44 0.21 0.25 0.37 0.00 0.00 175.52 176.79 5hbi h LEU 40 N 0.47 0.38 -1.11 2.58 5.85 -0.51 -1.73 115.31 121.24 5hbi h LEU 40 Ca 0.06 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 5hbi h LEU 40 Cb 0.75 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 5hbi h LEU 40 CO 0.06 0.29 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.75 5hbi h PHE 41 N 0.44 0.01 -0.17 1.25 0.04 -1.13 0.16 116.94 117.54 5hbi h PHE 41 Ca 0.12 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 5hbi h PHE 41 Cb -0.03 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.12 5hbi h PHE 41 CO -0.05 0.45 -0.63 0.00 -0.60 0.00 0.00 178.31 177.48 5hbi h ALA 42 N 1.55 0.31 0.00 2.45 0.00 -0.88 -3.17 119.26 119.53 5hbi h ALA 42 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 5hbi h ALA 42 Cb 0.78 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 5hbi h ALA 42 CO 0.06 0.58 -1.40 -0.25 0.00 0.00 0.00 179.25 178.24 5hbi n ASP 43 N -4.05 0.54 -3.30 0.00 8.00 -0.67 -4.49 116.55 112.58 5hbi n ASP 43 Ca -0.07 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.39 5hbi n ASP 43 Cb 0.67 0.97 -0.08 0.00 -0.02 0.00 0.00 41.12 42.66 5hbi n ASP 43 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 5hbi n ASN 44 N -2.55 1.67 0.30 -2.24 4.13 0.56 -4.95 115.26 112.17 5hbi n ASN 44 Ca -0.03 -3.00 0.15 0.00 1.68 0.00 0.00 54.58 53.39 5hbi n ASN 44 Cb 0.59 -0.65 0.92 0.00 -1.54 0.00 0.00 39.78 39.10 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 4.12 0.00 0.00 3.52 7.50 -1.73 -1.34 115.11 127.18 5hbi h GLN 45 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 5hbi h GLN 45 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.32 5hbi h GLN 45 CO 0.62 0.01 0.00 -0.85 -1.50 0.00 0.00 178.83 177.10 5hbi n GLU 46 N -3.79 0.14 0.04 1.46 0.00 -1.26 -1.97 120.64 115.25 5hbi n GLU 46 Ca -0.03 0.52 0.12 0.00 0.00 0.00 0.00 57.16 57.77 5hbi n GLU 46 Cb 0.09 -1.85 0.21 0.00 0.00 0.00 0.00 31.44 29.90 5hbi n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 5hbi n THR 47 N -2.12 0.23 -0.31 3.84 -2.24 -0.50 -4.26 114.28 108.91 5hbi n THR 47 Ca 0.00 -0.18 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 5hbi n THR 47 Cb 0.11 -0.03 0.17 0.00 -2.10 0.00 0.00 70.33 68.48 5hbi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 5hbi h ILE 48 N 0.00 0.98 -0.79 2.28 2.04 -1.57 -1.18 117.51 119.27 5hbi h ILE 48 Ca 0.00 -0.31 0.17 0.00 1.00 0.00 0.00 64.86 65.71 5hbi h ILE 48 Cb 0.66 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 5hbi h ILE 48 CO 0.00 0.17 0.53 1.23 0.00 0.00 0.00 178.15 180.07 5hbi h GLY 49 N 0.91 0.68 2.00 5.37 0.00 -1.80 -1.02 103.07 109.21 5hbi h GLY 49 Ca 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 5hbi h GLY 49 CO -0.21 0.04 -0.08 -0.97 0.00 0.00 0.00 176.54 175.32 5hbi h TYR 50 N 0.38 0.00 -0.72 5.60 0.05 -1.49 -3.05 116.97 117.74 5hbi h TYR 50 Ca 0.39 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.79 5hbi h TYR 50 Cb 0.97 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.49 5hbi h TYR 50 CO -0.00 0.08 0.33 1.19 -1.05 0.00 0.00 178.16 178.71 5hbi n PHE 51 N -3.65 2.23 0.32 4.88 3.72 -0.39 -4.67 117.46 119.90 5hbi n PHE 51 Ca -0.02 -1.78 0.20 0.00 -0.05 0.00 0.00 57.45 55.80 5hbi n PHE 51 Cb 0.19 -0.76 1.11 0.00 -0.94 0.00 0.00 39.48 39.08 5hbi n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 5hbi h LYS 52 N 1.03 0.00 0.00 -1.08 1.57 -1.64 -1.14 116.57 115.32 5hbi h LYS 52 Ca 0.46 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 5hbi h LYS 52 Cb 2.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.60 5hbi h LYS 52 CO 0.81 0.00 -0.23 -0.09 -0.57 0.00 0.00 179.45 179.37 5hbi h ARG 53 N 0.00 0.00 0.00 3.15 2.43 -1.90 -2.40 114.38 115.66 5hbi h ARG 53 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 5hbi h ARG 53 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 5hbi h ARG 53 CO -0.00 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 5hbi n LEU 54 N -4.25 0.00 0.00 3.80 4.77 -0.43 -5.00 117.00 115.88 5hbi n LEU 54 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 5hbi n LEU 54 Cb 0.28 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 5hbi n LEU 54 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 5hbi n GLY 55 N 1.03 0.76 3.51 -0.72 0.00 -0.91 -4.46 105.19 104.41 5hbi n GLY 55 Ca 0.14 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 6.25 0.04 1.61 -1.08 -1.26 -4.82 116.67 113.42 5hbi s ASP 56 Ca 0.00 -0.54 0.24 0.00 -0.52 0.00 0.00 52.55 51.72 5hbi s ASP 56 Cb 0.00 -2.47 0.98 0.00 -1.46 0.00 0.00 42.92 39.96 5hbi s ASP 56 CO 0.00 -1.47 1.75 1.33 0.52 0.00 0.00 175.17 177.30 5hbi n VAL 57 N 6.20 0.44 0.50 1.11 0.24 -1.26 -2.35 118.33 123.21 5hbi n VAL 57 Ca 0.01 0.06 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 5hbi n VAL 57 Cb 0.47 -0.72 0.43 0.00 -1.47 0.00 0.00 33.84 32.56 5hbi n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 5hbi n SER 58 N -1.65 0.42 0.02 -1.34 3.41 -1.26 -2.61 113.62 110.61 5hbi n SER 58 Ca 0.05 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 5hbi n SER 58 Cb 0.29 -0.68 0.35 0.00 -0.26 0.00 0.00 64.21 63.91 5hbi n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5hbi n GLN 59 N -1.95 0.03 0.00 4.33 1.13 -0.99 -4.95 117.38 114.97 5hbi n GLN 59 Ca 0.03 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 5hbi n GLN 59 Cb 0.24 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.04 5hbi n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5hbi n GLY 60 N 0.12 3.65 0.28 1.08 0.00 -1.07 -2.22 105.19 107.03 5hbi n GLY 60 Ca 0.04 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 1.61 1.85 -1.92 -2.14 114.93 114.33 5hbi h MET 61 Ca 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 5hbi h MET 61 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 5hbi h MET 61 CO 0.00 0.07 -0.24 0.00 -0.40 0.00 0.00 176.91 176.34 5hbi h ALA 62 N 1.93 1.02 -1.65 0.39 0.00 -1.86 -3.41 119.26 115.68 5hbi h ALA 62 Ca -0.00 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.13 5hbi h ALA 62 Cb 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 5hbi h ALA 62 CO 0.01 0.29 0.91 1.21 0.00 0.00 0.00 179.25 181.67 5hbi s ASN 63 N -6.21 6.48 0.26 0.00 3.84 -0.81 -4.91 114.94 113.59 5hbi s ASN 63 Ca 0.00 0.14 -0.02 0.00 0.21 0.00 0.00 52.86 53.20 5hbi s ASN 63 Cb 0.10 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.77 5hbi s ASN 63 CO 0.64 -1.39 1.77 -2.24 -2.79 0.00 0.00 177.10 173.10 5hbi h ASP 64 N 9.43 0.57 -0.16 -4.21 2.03 -1.86 0.04 116.42 122.26 5hbi h ASP 64 Ca -0.25 0.08 -0.16 0.00 -0.73 0.00 0.00 57.03 55.97 5hbi h ASP 64 Cb 1.06 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 5hbi h ASP 64 CO 1.16 0.26 -0.50 0.11 -1.03 0.00 0.00 179.24 179.25 5hbi h LYS 65 N 0.67 0.73 -0.36 4.15 1.57 -1.91 -0.17 116.57 121.25 5hbi h LYS 65 Ca 0.45 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 5hbi h LYS 65 Cb 0.59 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 5hbi h LYS 65 CO -0.33 1.06 -0.18 1.25 -0.57 0.00 0.00 179.45 180.67 5hbi h LEU 66 N 0.58 0.79 -0.33 2.94 5.85 -1.68 -1.05 115.31 122.41 5hbi h LEU 66 Ca 0.03 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 5hbi h LEU 66 Cb 1.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 5hbi h LEU 66 CO 0.10 1.02 0.12 -0.09 -0.34 0.00 0.00 178.44 179.26 5hbi h ARG 67 N 0.56 0.50 -0.50 1.25 2.43 -0.80 0.09 114.38 117.91 5hbi h ARG 67 Ca 0.08 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 5hbi h ARG 67 Cb 0.73 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 5hbi h ARG 67 CO 0.05 0.51 0.31 0.78 -1.51 0.00 0.00 179.97 180.12 5hbi h GLY 68 N 0.38 0.72 0.99 2.80 0.00 -0.97 -1.39 103.07 105.60 5hbi h GLY 68 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.15 5hbi h GLY 68 CO -0.01 0.29 0.22 0.84 0.00 0.00 0.00 176.54 177.88 5hbi h HIS 69 N 0.68 0.46 -0.78 5.60 -0.00 -1.02 -2.04 115.15 118.05 5hbi h HIS 69 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 5hbi h HIS 69 Cb -0.03 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 5hbi h HIS 69 CO -0.03 0.32 0.36 0.77 -0.00 0.00 0.00 177.93 179.35 5hbi h SER 70 N 0.47 1.03 -0.27 3.26 0.02 -0.51 -0.51 113.55 117.04 5hbi h SER 70 Ca 0.13 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 5hbi h SER 70 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 5hbi h SER 70 CO -0.03 0.89 0.08 0.40 -1.14 0.00 0.00 176.83 177.03 5hbi h ILE 71 N 1.11 1.20 -0.26 3.27 2.04 -1.17 -2.29 117.51 121.40 5hbi h ILE 71 Ca 0.27 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 5hbi h ILE 71 Cb 0.14 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 5hbi h ILE 71 CO -0.03 0.21 -0.03 0.40 0.00 0.00 0.00 178.15 178.70 5hbi h ILE 72 N 0.27 1.18 -0.78 -0.67 2.04 -1.09 -1.74 117.51 116.72 5hbi h ILE 72 Ca 0.09 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 5hbi h ILE 72 Cb 0.25 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 5hbi h ILE 72 CO -0.00 0.24 0.41 0.25 0.00 0.00 0.00 178.15 179.04 5hbi h LEU 73 N 0.39 0.99 -1.20 1.44 6.46 -0.78 -1.80 115.31 120.81 5hbi h LEU 73 Ca 0.09 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 5hbi h LEU 73 Cb 0.30 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 5hbi h LEU 73 CO 0.01 0.82 -0.15 0.24 -0.62 0.00 0.00 178.44 178.74 5hbi h MET 74 N 1.08 0.38 0.00 1.25 2.86 -0.78 -1.27 114.93 118.46 5hbi h MET 74 Ca 0.27 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 5hbi h MET 74 Cb 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 5hbi h MET 74 CO -0.04 0.53 -0.33 1.88 1.06 0.00 0.00 176.91 180.01 5hbi h TYR 75 N 0.35 0.00 -0.36 -0.22 0.05 -0.66 0.01 116.97 116.14 5hbi h TYR 75 Ca 0.07 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 5hbi h TYR 75 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 5hbi h TYR 75 CO 0.01 0.33 0.03 0.00 -1.05 0.00 0.00 178.16 177.48 5hbi h ALA 76 N 1.67 0.49 -0.47 3.88 0.00 -0.47 -1.12 119.26 123.24 5hbi h ALA 76 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 5hbi h ALA 76 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 5hbi h ALA 76 CO 0.04 0.22 -0.07 -0.07 0.00 0.00 0.00 179.25 179.38 5hbi h LEU 77 N 0.45 0.80 -0.58 0.00 3.38 -0.98 -1.59 115.31 116.79 5hbi h LEU 77 Ca 0.11 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.92 5hbi h LEU 77 Cb 0.41 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 5hbi h LEU 77 CO 0.01 0.91 0.27 -0.61 0.09 0.00 0.00 178.44 179.11 5hbi h GLN 78 N 0.75 0.50 -0.19 1.13 5.75 -0.83 -0.72 115.11 121.49 5hbi h GLN 78 Ca 0.13 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 5hbi h GLN 78 Cb 0.55 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 5hbi h GLN 78 CO 0.03 0.33 0.08 -0.97 -2.65 0.00 0.00 178.83 175.65 5hbi h ASN 79 N 0.51 0.11 -0.40 -0.69 -0.73 -0.73 -0.21 115.58 113.44 5hbi h ASN 79 Ca 0.27 0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.49 5hbi h ASN 79 Cb 0.23 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.78 5hbi h ASN 79 CO -0.21 0.09 0.18 -0.26 -0.37 0.00 0.00 177.43 176.86 5hbi h PHE 80 N 0.18 0.34 -0.64 0.67 0.04 -0.71 -1.61 116.94 115.20 5hbi h PHE 80 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 5hbi h PHE 80 Cb 0.04 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 5hbi h PHE 80 CO -0.11 0.17 0.31 0.82 -0.60 0.00 0.00 178.31 178.91 5hbi h ILE 81 N 0.38 1.22 0.00 -0.55 1.08 -0.76 -2.27 117.51 116.60 5hbi h ILE 81 Ca 0.17 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 5hbi h ILE 81 Cb 0.10 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 5hbi h ILE 81 CO -0.14 0.25 -0.12 0.44 -0.69 0.00 0.00 178.15 177.89 5hbi h ASP 82 N 0.88 0.00 -0.32 1.72 3.32 -0.64 -2.86 116.42 118.52 5hbi h ASP 82 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 5hbi h ASP 82 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 5hbi h ASP 82 CO -0.03 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 5hbi n GLN 83 N -3.41 2.12 -0.19 3.56 1.13 -0.64 -4.63 117.38 115.32 5hbi n GLN 83 Ca -0.01 -1.70 0.20 0.00 -1.94 0.00 0.00 57.00 53.55 5hbi n GLN 83 Cb 0.30 -1.44 0.55 0.00 0.11 0.00 0.00 30.24 29.76 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 3.23 0.32 -0.48 1.08 3.38 -1.33 -1.40 115.31 120.09 5hbi h LEU 84 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 5hbi h LEU 84 Cb 0.72 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.43 5hbi h LEU 84 CO 0.00 0.14 -0.13 0.47 0.09 0.00 0.00 178.44 179.00 5hbi n ASP 85 N -4.46 0.88 -3.76 -0.43 8.00 -1.26 -4.42 116.55 111.10 5hbi n ASP 85 Ca 0.17 -0.93 -0.30 0.00 0.71 0.00 0.00 54.79 54.45 5hbi n ASP 85 Cb 0.68 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.67 5hbi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 5hbi s ASN 86 N -2.35 3.86 0.42 -2.24 3.84 -0.53 -4.99 114.94 112.96 5hbi s ASN 86 Ca 0.30 -2.46 0.22 0.00 0.21 0.00 0.00 52.86 51.14 5hbi s ASN 86 Cb 0.20 -1.11 1.20 0.00 -0.55 0.00 0.00 41.25 41.00 5hbi s ASN 86 CO 0.45 -0.30 1.76 -0.65 -2.79 0.00 0.00 177.10 175.58 5hbi h PRO 87 N 7.01 0.29 -0.33 0.43 0.11 -1.77 -0.85 132.00 136.88 5hbi h PRO 87 Ca -0.04 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 5hbi h PRO 87 Cb 0.95 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 5hbi h PRO 87 CO 0.50 0.19 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.72 5hbi h ASP 88 N 0.30 0.77 -0.15 -2.05 3.32 -1.94 0.51 116.42 117.18 5hbi h ASP 88 Ca 0.62 -0.32 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 5hbi h ASP 88 Cb 1.73 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 41.08 5hbi h ASP 88 CO -0.27 1.04 -0.62 0.44 -1.72 0.00 0.00 179.24 178.11 5hbi h ASP 89 N 0.62 0.81 -0.37 6.45 3.32 -1.54 -2.37 116.42 123.34 5hbi h ASP 89 Ca 0.07 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.50 5hbi h ASP 89 Cb 0.86 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 5hbi h ASP 89 CO 0.08 1.29 0.21 0.25 -1.72 0.00 0.00 179.24 179.35 5hbi h LEU 90 N 0.38 0.45 -0.46 1.55 5.85 -1.08 -2.29 115.31 119.72 5hbi h LEU 90 Ca -0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 5hbi h LEU 90 Cb 1.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 5hbi h LEU 90 CO 0.13 0.38 0.28 0.58 -0.34 0.00 0.00 178.44 179.47 5hbi h VAL 91 N 0.47 1.14 0.00 1.05 2.07 -0.88 -0.22 116.25 119.88 5hbi h VAL 91 Ca 0.13 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 5hbi h VAL 91 Cb 0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 5hbi h VAL 91 CO -0.02 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 177.39 5hbi h VAL 93 N 0.00 1.38 -0.23 0.00 -1.51 -1.10 -2.96 116.25 111.83 5hbi h VAL 93 Ca -0.00 -2.62 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 5hbi h VAL 93 Cb 0.69 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 5hbi h VAL 93 CO 0.04 0.78 0.15 0.58 -1.23 0.00 0.00 177.57 177.90 5hbi h VAL 94 N 0.20 1.06 -0.48 7.19 2.07 -0.81 -2.10 116.25 123.39 5hbi h VAL 94 Ca -0.14 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.26 5hbi h VAL 94 Cb 1.83 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 5hbi h VAL 94 CO 0.21 0.06 0.32 -0.33 0.02 0.00 0.00 177.57 177.85 5hbi h GLU 95 N 0.31 0.62 -0.03 1.57 5.08 -1.14 0.15 114.58 121.14 5hbi h GLU 95 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 5hbi h GLU 95 Cb -0.03 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 5hbi h GLU 95 CO -0.02 0.41 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.17 5hbi h LYS 96 N 0.64 0.07 -0.09 2.33 3.11 -1.31 -2.02 116.57 119.30 5hbi h LYS 96 Ca 0.18 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.93 5hbi h LYS 96 Cb -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 5hbi h LYS 96 CO -0.04 0.44 -0.21 0.74 -2.81 0.00 0.00 179.45 177.57 5hbi h PHE 97 N -0.31 0.16 -0.67 1.91 0.04 -0.93 -2.25 116.94 114.88 5hbi h PHE 97 Ca 0.01 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.76 5hbi h PHE 97 Cb 0.42 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 5hbi h PHE 97 CO 0.06 0.35 0.44 0.00 -0.60 0.00 0.00 178.31 178.57 5hbi h ALA 98 N 1.65 0.86 -0.95 2.45 0.00 -0.52 -2.45 119.26 120.31 5hbi h ALA 98 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.94 5hbi h ALA 98 Cb 0.45 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 5hbi h ALA 98 CO 0.03 0.29 0.61 0.28 0.00 0.00 0.00 179.25 180.46 5hbi h VAL 99 N 0.91 1.11 -0.50 0.00 2.07 -0.75 0.13 116.25 119.22 5hbi h VAL 99 Ca 0.25 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.47 5hbi h VAL 99 Cb -0.10 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.52 5hbi h VAL 99 CO -0.05 0.21 0.34 0.78 0.02 0.00 0.00 177.57 178.87 5hbi h ASN 100 N 1.13 0.27 0.21 0.57 4.21 -1.30 -1.16 115.58 119.52 5hbi h ASN 100 Ca 0.40 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.56 5hbi h ASN 100 Cb 0.10 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 5hbi h ASN 100 CO -0.15 0.17 -1.97 1.41 -1.29 0.00 0.00 177.43 175.60 5hbi n HIS 101 N -4.46 1.08 -0.26 1.19 8.25 -0.06 -3.54 115.22 117.42 5hbi n HIS 101 Ca 0.08 0.27 -0.04 0.00 -0.26 0.00 0.00 57.72 57.77 5hbi n HIS 101 Cb 0.36 -1.16 0.07 0.00 1.12 0.00 0.00 29.99 30.38 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 0.05 1.14 0.00 1.59 2.04 -0.59 -1.02 117.51 120.72 5hbi h ILE 102 Ca -0.40 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 5hbi h ILE 102 Cb 2.03 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 5hbi h ILE 102 CO 0.07 0.17 -0.16 0.71 0.00 0.00 0.00 178.15 178.94 5hbi h THR 103 N 0.92 1.00 -0.28 -0.27 1.35 -1.36 -0.46 112.91 113.82 5hbi h THR 103 Ca 0.28 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 5hbi h THR 103 Cb -0.04 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 5hbi h THR 103 CO -0.09 0.16 0.00 0.54 -0.25 0.00 0.00 175.52 175.88 5hbi n ARG 104 N -4.18 1.80 -3.61 4.72 3.00 -0.64 -4.94 116.66 112.81 5hbi n ARG 104 Ca -0.02 -1.22 -0.22 0.00 -0.01 0.00 0.00 57.85 56.37 5hbi n ARG 104 Cb 0.23 -1.33 0.07 0.00 0.00 0.00 0.00 32.46 31.43 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 0.46 -6.77 -3.28 5.56 4.76 -0.18 -4.98 118.16 113.73 5hbi n LYS 105 Ca 0.14 0.77 -0.40 0.00 -2.87 0.00 0.00 58.31 55.95 5hbi n LYS 105 Cb 0.32 -5.73 -0.08 0.00 -1.84 0.00 0.00 35.03 27.70 5hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 5hbi s ILE 106 N -3.38 5.07 0.75 -0.18 -1.09 -0.48 -5.01 121.20 116.88 5hbi s ILE 106 Ca 0.33 0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 59.16 5hbi s ILE 106 Cb -0.15 -3.86 0.04 0.00 -1.58 0.00 0.00 42.46 36.91 5hbi s ILE 106 CO 0.76 -0.05 1.10 -0.94 -1.23 0.00 0.00 174.94 174.58 5hbi s SER 107 N 1.67 4.99 0.22 3.58 1.04 -1.26 -4.46 113.70 119.48 5hbi s SER 107 Ca 0.18 1.22 -0.08 0.00 0.48 0.00 0.00 55.95 57.75 5hbi s SER 107 Cb -0.16 -1.98 0.28 0.00 0.10 0.00 0.00 66.02 64.26 5hbi s SER 107 CO 0.11 -1.64 1.81 0.00 0.98 0.00 0.00 173.24 174.50 5hbi h ALA 108 N -0.86 0.96 -0.53 5.32 0.00 -1.87 -0.52 119.26 121.76 5hbi h ALA 108 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 5hbi h ALA 108 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 5hbi h ALA 108 CO 0.62 0.07 0.29 0.00 0.00 0.00 0.00 179.25 180.22 5hbi h ALA 109 N 1.37 0.68 -0.40 0.00 0.00 -1.95 -2.09 119.26 116.87 5hbi h ALA 109 Ca 0.32 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 5hbi h ALA 109 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 5hbi h ALA 109 CO -0.20 0.20 -0.19 0.93 0.00 0.00 0.00 179.25 179.99 5hbi h GLU 110 N 0.71 0.76 -0.55 0.00 5.08 -1.81 -2.39 114.58 116.38 5hbi h GLU 110 Ca 0.19 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 5hbi h GLU 110 Cb 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 5hbi h GLU 110 CO -0.03 0.90 0.20 0.35 -1.00 0.00 0.00 179.01 179.43 5hbi h PHE 111 N 0.67 0.82 0.00 4.33 3.57 -0.93 -1.67 116.94 123.73 5hbi h PHE 111 Ca 0.10 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 5hbi h PHE 111 Cb 0.69 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.18 5hbi h PHE 111 CO 0.04 0.65 0.00 0.78 -2.23 0.00 0.00 178.31 177.55 5hbi h GLY 112 N 0.94 0.00 2.00 2.40 0.00 -0.84 -2.19 103.07 105.38 5hbi h GLY 112 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 5hbi h GLY 112 CO -0.01 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.03 5hbi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.26 -2.23 116.57 119.45 5hbi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 5hbi h LYS 113 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 5hbi h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 5hbi h ILE 114 N 0.00 0.00 -0.35 1.86 6.09 -1.60 -3.16 117.51 120.35 5hbi h ILE 114 Ca 0.00 -0.46 -0.02 0.00 -1.37 0.00 0.00 64.86 63.01 5hbi h ILE 114 Cb 0.13 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 38.81 5hbi h ILE 114 CO 0.00 0.00 0.15 0.78 -3.07 0.00 0.00 178.15 176.01 5hbi h ASN 115 N 0.00 0.44 0.43 2.19 2.35 -1.64 -1.03 115.58 118.31 5hbi h ASN 115 Ca 0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 5hbi h ASN 115 Cb 0.48 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.75 5hbi h ASN 115 CO 0.00 0.39 -0.20 1.23 -1.65 0.00 0.00 177.43 177.20 5hbi h GLY 116 N 0.63 -0.60 0.07 2.83 0.00 -1.77 -1.07 103.07 103.16 5hbi h GLY 116 Ca 0.12 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.80 5hbi h GLY 116 CO -0.01 -0.22 0.09 -2.55 0.00 0.00 0.00 176.54 173.85 5hbi h PRO 117 N -0.80 0.20 -0.45 4.80 0.11 -1.70 -2.41 132.00 131.75 5hbi h PRO 117 Ca -0.06 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 5hbi h PRO 117 Cb 0.54 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 5hbi h PRO 117 CO 0.10 0.13 0.27 0.82 -0.21 0.00 0.00 178.00 179.11 5hbi h ILE 118 N 0.21 1.15 -0.48 4.15 2.04 -1.07 -0.81 117.51 122.70 5hbi h ILE 118 Ca 0.33 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.90 5hbi h ILE 118 Cb 0.52 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 5hbi h ILE 118 CO -0.46 0.15 0.21 0.50 0.00 0.00 0.00 178.15 178.55 5hbi h LYS 119 N 0.60 0.40 -0.54 2.37 3.64 -0.96 -0.27 116.57 121.81 5hbi h LYS 119 Ca 0.16 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 5hbi h LYS 119 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 5hbi h LYS 119 CO -0.03 0.27 0.01 0.87 -2.27 0.00 0.00 179.45 178.29 5hbi h LYS 120 N 0.42 0.96 -0.54 1.90 1.57 -1.07 0.75 116.57 120.55 5hbi h LYS 120 Ca 0.22 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 5hbi h LYS 120 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 5hbi h LYS 120 CO -0.19 0.96 -0.08 0.28 -0.57 0.00 0.00 179.45 179.86 5hbi h VAL 121 N 0.84 1.27 -0.63 0.50 2.07 -0.86 -0.69 116.25 118.74 5hbi h VAL 121 Ca 0.16 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 5hbi h VAL 121 Cb 0.53 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 5hbi h VAL 121 CO 0.03 0.43 0.31 -0.07 0.02 0.00 0.00 177.57 178.29 5hbi h LEU 122 N 0.89 0.82 -1.11 2.57 3.38 -0.86 -2.70 115.31 118.30 5hbi h LEU 122 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 5hbi h LEU 122 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 5hbi h LEU 122 CO 0.04 0.72 0.26 0.00 0.09 0.00 0.00 178.44 179.55 5hbi h ALA 123 N 1.14 1.30 0.00 1.53 0.00 -0.43 -0.43 119.26 122.36 5hbi h ALA 123 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 5hbi h ALA 123 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 5hbi h ALA 123 CO -0.03 0.53 0.00 0.66 0.00 0.00 0.00 179.25 180.41 5hbi h SER 124 N 0.88 0.00 -0.35 0.00 4.64 -0.79 -0.03 113.55 117.90 5hbi h SER 124 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 5hbi h SER 124 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 5hbi h SER 124 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 5hbi n LYS 125 N -2.70 3.13 -3.57 4.77 4.76 -0.50 -4.98 118.16 119.07 5hbi n LYS 125 Ca -0.01 -2.64 -0.23 0.00 -2.87 0.00 0.00 58.31 52.56 5hbi n LYS 125 Cb 0.15 -1.71 0.08 0.00 -1.84 0.00 0.00 35.03 31.71 5hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 5hbi n ASN 126 N 0.04 -6.27 -4.43 4.39 5.03 -0.02 -5.00 115.26 109.00 5hbi n ASN 126 Ca 0.19 -0.53 -0.38 0.00 0.87 0.00 0.00 54.58 54.74 5hbi n ASN 126 Cb 0.78 -4.92 -0.12 0.00 -1.02 0.00 0.00 39.78 34.49 5hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 5hbi s PHE 127 N -3.31 3.14 0.00 3.10 0.08 -0.29 -4.99 117.98 115.71 5hbi s PHE 127 Ca 0.57 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.06 5hbi s PHE 127 Cb -0.25 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 5hbi s PHE 127 CO 0.71 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 5hbi n GLY 128 N 4.94 0.03 0.30 4.36 0.00 -1.26 -3.14 105.19 110.42 5hbi n GLY 128 Ca -0.15 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 0.26 -0.77 1.61 3.32 -1.98 0.92 116.42 119.78 5hbi h ASP 129 Ca 0.00 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.32 5hbi h ASP 129 Cb 0.00 0.13 -0.09 0.00 0.22 0.00 0.00 39.33 39.59 5hbi h ASP 129 CO 0.00 0.02 0.35 0.50 -1.72 0.00 0.00 179.24 178.40 5hbi h LYS 130 N 0.39 0.52 -0.28 3.56 3.64 -1.99 0.69 116.57 123.10 5hbi h LYS 130 Ca 0.50 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 5hbi h LYS 130 Cb 0.89 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 5hbi h LYS 130 CO -0.50 0.34 -0.21 1.88 -2.27 0.00 0.00 179.45 178.70 5hbi h TYR 131 N 0.53 0.75 -0.94 1.91 0.05 -1.18 -1.59 116.97 116.51 5hbi h TYR 131 Ca 0.41 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 59.02 5hbi h TYR 131 Cb 0.58 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 5hbi h TYR 131 CO -0.13 0.91 0.62 0.00 -1.05 0.00 0.00 178.16 178.51 5hbi h ALA 132 N 0.72 1.39 -0.38 3.88 0.00 -0.75 -1.54 119.26 122.58 5hbi h ALA 132 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 5hbi h ALA 132 Cb 0.75 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 5hbi h ALA 132 CO 0.06 0.53 -0.18 -0.91 0.00 0.00 0.00 179.25 178.75 5hbi h ASN 133 N 1.20 0.71 -0.40 0.00 -0.26 -0.63 -0.67 115.58 115.53 5hbi h ASN 133 Ca 0.37 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.85 5hbi h ASN 133 Cb -0.02 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.03 5hbi h ASN 133 CO -0.11 0.89 0.14 0.00 -1.06 0.00 0.00 177.43 177.29 5hbi h ALA 134 N 1.17 0.52 -0.62 -0.83 0.00 -0.61 -2.46 119.26 116.42 5hbi h ALA 134 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 5hbi h ALA 134 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 5hbi h ALA 134 CO 0.05 0.14 0.05 -1.49 0.00 0.00 0.00 179.25 178.00 5hbi h TRP 135 N 0.49 1.14 -0.05 0.00 4.06 -1.02 -2.12 115.95 118.46 5hbi h TRP 135 Ca 0.13 -0.17 0.01 0.00 2.06 0.00 0.00 58.89 60.91 5hbi h TRP 135 Cb 0.23 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.08 5hbi h TRP 135 CO 0.01 0.98 0.03 0.00 -3.56 0.00 0.00 178.44 175.90 5hbi h ALA 136 N 1.06 2.02 -0.15 1.49 0.00 -1.00 -0.59 119.26 122.09 5hbi h ALA 136 Ca 0.18 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 5hbi h ALA 136 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 5hbi h ALA 136 CO 0.02 -0.03 -0.53 0.87 0.00 0.00 0.00 179.25 179.58 5hbi h LYS 137 N 0.02 0.42 -0.19 0.00 1.57 -0.91 -0.63 116.57 116.86 5hbi h LYS 137 Ca 0.02 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 5hbi h LYS 137 Cb 0.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.40 5hbi h LYS 137 CO -0.00 0.85 -0.40 1.25 -0.57 0.00 0.00 179.45 180.58 5hbi h LEU 138 N 0.33 0.67 -1.17 2.94 5.85 -0.95 -2.90 115.31 120.09 5hbi h LEU 138 Ca 0.01 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.24 5hbi h LEU 138 Cb 1.04 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 5hbi h LEU 138 CO 0.09 1.11 0.58 0.58 -0.34 0.00 0.00 178.44 180.46 5hbi h VAL 139 N 0.27 1.04 0.00 1.05 2.07 -1.12 -1.44 116.25 118.12 5hbi h VAL 139 Ca 0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 5hbi h VAL 139 Cb 1.00 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 5hbi h VAL 139 CO 0.09 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 5hbi h ALA 140 N 1.52 1.33 -0.36 1.67 0.00 -0.91 -1.03 119.26 121.49 5hbi h ALA 140 Ca 0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 5hbi h ALA 140 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 5hbi h ALA 140 CO -0.15 0.09 0.02 0.28 0.00 0.00 0.00 179.25 179.48 5hbi h VAL 141 N 0.00 1.25 -0.50 0.00 2.07 -1.14 -1.23 116.25 116.71 5hbi h VAL 141 Ca -0.00 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 5hbi h VAL 141 Cb 0.21 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 5hbi h VAL 141 CO 0.01 0.31 -0.17 0.58 0.02 0.00 0.00 177.57 178.32 5hbi h VAL 142 N 0.45 1.27 -0.34 2.57 2.07 -1.29 -2.58 116.25 118.39 5hbi h VAL 142 Ca 0.10 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.34 5hbi h VAL 142 Cb 0.43 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 5hbi h VAL 142 CO 0.02 0.46 0.23 1.56 0.02 0.00 0.00 177.57 179.86 5hbi h GLN 143 N 0.86 0.24 0.00 1.57 4.20 -1.02 0.58 115.11 121.54 5hbi h GLN 143 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 5hbi h GLN 143 Cb 0.75 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.47 5hbi h GLN 143 CO 0.06 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.38 5hbi h ALA 144 N 1.81 1.00 -0.02 3.87 0.00 -0.80 -2.35 119.26 122.77 5hbi h ALA 144 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 5hbi h ALA 144 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 5hbi h ALA 144 CO -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.01 5hbi n ALA 145 N -2.00 2.97 0.38 0.00 0.00 0.19 -4.51 120.51 117.54 5hbi n ALA 145 Ca -0.01 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 52.89 5hbi n ALA 145 Cb 0.17 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.74 5hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78