#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6hbi h VAL 3 N 0.00 1.28 -0.88 0.44 2.07 -1.87 -3.18 116.25 114.10 6hbi h VAL 3 Ca 0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.16 6hbi h VAL 3 Cb 0.00 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 6hbi h VAL 3 CO 0.00 0.46 0.56 1.88 0.02 0.00 0.00 177.57 180.49 6hbi h TYR 4 N 0.60 1.04 -0.27 1.57 0.05 -1.95 0.23 116.97 118.23 6hbi h TYR 4 Ca 0.07 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 6hbi h TYR 4 Cb 0.80 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 6hbi h TYR 4 CO 0.04 0.55 -0.34 -0.44 -1.05 0.00 0.00 178.16 176.92 6hbi h ASP 5 N 1.04 0.60 -0.35 3.88 3.32 -2.00 -2.19 116.42 120.73 6hbi h ASP 5 Ca 0.37 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 6hbi h ASP 5 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 6hbi h ASP 5 CO -0.15 0.90 -0.22 0.00 -1.72 0.00 0.00 179.24 178.04 6hbi h ALA 6 N 1.14 0.50 -0.05 3.45 0.00 -1.43 -2.48 119.26 120.38 6hbi h ALA 6 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.61 6hbi h ALA 6 Cb 0.82 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 6hbi h ALA 6 CO 0.07 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.83 6hbi h ALA 7 N 0.77 1.73 0.00 0.00 0.00 -0.76 -1.43 119.26 119.57 6hbi h ALA 7 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 6hbi h ALA 7 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 6hbi h ALA 7 CO 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.23 6hbi h ALA 8 N 1.95 1.00 0.00 0.00 0.00 -0.91 -1.27 119.26 120.03 6hbi h ALA 8 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 6hbi h ALA 8 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 6hbi h ALA 8 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 6hbi n GLN 9 N -2.57 0.25 -2.74 0.00 1.13 -0.54 -4.34 117.38 108.57 6hbi n GLN 9 Ca 0.00 0.28 -0.43 0.00 -1.94 0.00 0.00 57.00 54.91 6hbi n GLN 9 Cb 0.18 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.68 6hbi n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 6hbi s LEU 10 N -4.56 4.29 0.83 1.08 1.43 -0.48 -4.91 118.68 116.36 6hbi s LEU 10 Ca 0.09 -1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 51.08 6hbi s LEU 10 Cb 0.11 -2.49 0.12 0.00 0.03 0.00 0.00 46.19 43.96 6hbi s LEU 10 CO 0.54 -1.21 1.17 0.42 0.23 0.00 0.00 176.35 177.50 6hbi s THR 11 N 3.64 2.08 0.36 5.49 -4.23 -1.26 -4.80 115.64 116.91 6hbi s THR 11 Ca 0.42 -0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.90 6hbi s THR 11 Cb -0.01 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.19 6hbi s THR 11 CO -0.06 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.90 6hbi h ALA 12 N -1.09 1.84 -0.04 3.99 0.00 -1.97 -1.19 119.26 120.79 6hbi h ALA 12 Ca -0.44 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 6hbi h ALA 12 Cb 1.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 6hbi h ALA 12 CO 0.53 -0.07 -0.84 -0.44 0.00 0.00 0.00 179.25 178.43 6hbi h ASP 13 N 0.68 0.54 -0.12 0.00 5.19 -1.98 -2.24 116.42 118.49 6hbi h ASP 13 Ca 0.43 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 6hbi h ASP 13 Cb 0.70 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 6hbi h ASP 13 CO -0.19 1.17 0.03 0.58 -3.12 0.00 0.00 179.24 177.71 6hbi h VAL 14 N 0.27 1.20 -0.67 -1.35 2.07 -1.74 -1.65 116.25 114.37 6hbi h VAL 14 Ca -0.06 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 66.91 6hbi h VAL 14 Cb 1.45 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 6hbi h VAL 14 CO 0.15 0.18 0.44 0.11 0.02 0.00 0.00 177.57 178.47 6hbi h LYS 15 N -0.01 0.67 -0.35 1.57 1.57 -1.26 0.87 116.57 119.63 6hbi h LYS 15 Ca 0.04 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 6hbi h LYS 15 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 6hbi h LYS 15 CO 0.00 0.44 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.00 6hbi h LYS 16 N 0.69 0.69 -0.26 3.15 1.63 -1.13 -1.24 116.57 120.10 6hbi h LYS 16 Ca 0.29 -0.27 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 6hbi h LYS 16 Cb 0.26 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 6hbi h LYS 16 CO -0.09 0.86 -0.36 -0.44 -3.45 0.00 0.00 179.45 175.97 6hbi h ASP 17 N 0.48 0.61 0.07 4.20 3.32 -0.24 -1.20 116.42 123.65 6hbi h ASP 17 Ca 0.09 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 6hbi h ASP 17 Cb 0.61 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.99 6hbi h ASP 17 CO 0.04 0.92 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.37 6hbi h LEU 18 N 0.49 -0.08 -0.87 1.55 3.38 -0.79 -1.92 115.31 117.07 6hbi h LEU 18 Ca 0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 6hbi h LEU 18 Cb 0.85 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 6hbi h LEU 18 CO 0.07 -0.01 -0.01 0.03 0.09 0.00 0.00 178.44 178.60 6hbi h ARG 19 N -0.14 0.82 -0.24 1.13 3.08 -1.04 -1.09 114.38 116.89 6hbi h ARG 19 Ca -0.01 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 6hbi h ARG 19 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 6hbi h ARG 19 CO 0.02 0.83 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.20 6hbi h ASP 20 N 0.76 0.52 -0.30 7.04 5.19 -1.14 -1.67 116.42 126.83 6hbi h ASP 20 Ca 0.14 -0.40 -0.12 0.00 -0.62 0.00 0.00 57.03 56.03 6hbi h ASP 20 Cb 0.48 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 6hbi h ASP 20 CO 0.02 0.81 -0.23 0.77 -3.12 0.00 0.00 179.24 177.50 6hbi h SER 21 N 0.23 0.79 0.17 6.45 4.64 -1.30 -2.73 113.55 121.80 6hbi h SER 21 Ca 0.06 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 6hbi h SER 21 Cb 0.61 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 6hbi h SER 21 CO 0.03 1.00 -0.19 -0.25 -0.87 0.00 0.00 176.83 176.55 6hbi h TRP 22 N 0.68 0.05 -0.32 4.77 2.91 -1.14 0.43 115.95 123.33 6hbi h TRP 22 Ca 0.09 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.19 6hbi h TRP 22 Cb 0.74 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.36 6hbi h TRP 22 CO 0.04 0.24 0.23 -0.22 -1.03 0.00 0.00 178.44 177.70 6hbi h LYS 23 N 0.05 0.05 0.00 2.65 3.64 -0.97 0.11 116.57 122.09 6hbi h LYS 23 Ca 0.01 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 6hbi h LYS 23 Cb 0.37 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 6hbi h LYS 23 CO 0.03 0.03 -1.47 0.28 -2.27 0.00 0.00 179.45 176.05 6hbi n VAL 24 N -4.45 1.50 -0.37 2.00 0.31 -0.71 -4.13 118.33 112.48 6hbi n VAL 24 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 6hbi n VAL 24 Cb 0.37 -2.12 0.14 0.00 -0.91 0.00 0.00 33.84 31.32 6hbi n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 6hbi h ILE 25 N -1.00 1.16 0.00 2.52 1.08 -0.85 -2.02 117.51 118.41 6hbi h ILE 25 Ca -0.33 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 6hbi h ILE 25 Cb 1.19 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 6hbi h ILE 25 CO -0.20 0.23 0.00 1.23 -0.69 0.00 0.00 178.15 178.72 6hbi h GLY 26 N 1.25 0.00 1.87 5.37 0.00 -1.01 -3.17 103.07 107.39 6hbi h GLY 26 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 6hbi h GLY 26 CO -0.13 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.27 6hbi n SER 27 N -2.47 0.00 -3.43 0.19 3.41 -0.76 -3.75 113.62 106.81 6hbi n SER 27 Ca 0.02 0.32 -0.28 0.00 -0.26 0.00 0.00 58.87 58.67 6hbi n SER 27 Cb 0.24 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 6hbi n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 6hbi s ASP 28 N -2.87 2.20 0.14 4.04 -1.08 -1.20 -5.00 116.67 112.91 6hbi s ASP 28 Ca 0.16 -2.65 -0.11 0.00 -0.52 0.00 0.00 52.55 49.43 6hbi s ASP 28 Cb 0.17 -0.43 -0.02 0.00 -1.46 0.00 0.00 42.92 41.17 6hbi s ASP 28 CO 0.44 -0.24 1.51 0.11 0.52 0.00 0.00 175.17 177.51 6hbi h LYS 29 N 6.31 0.94 -0.00 4.34 1.57 -1.76 -0.55 116.57 127.41 6hbi h LYS 29 Ca 0.16 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 6hbi h LYS 29 Cb 0.94 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 6hbi h LYS 29 CO 0.32 1.09 0.00 -0.22 -0.57 0.00 0.00 179.45 180.08 6hbi h LYS 30 N 0.77 0.01 0.15 3.15 3.64 -1.92 0.09 116.57 122.45 6hbi h LYS 30 Ca 0.09 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 6hbi h LYS 30 Cb 0.84 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 6hbi h LYS 30 CO 0.07 0.26 -0.07 0.78 -2.27 0.00 0.00 179.45 178.22 6hbi h GLY 31 N -0.25 -0.21 1.66 5.01 0.00 -1.97 -1.01 103.07 106.30 6hbi h GLY 31 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 47.33 47.21 6hbi h GLY 31 CO 0.00 -0.08 -0.83 3.43 0.00 0.00 0.00 176.54 179.06 6hbi h ASN 32 N -0.32 0.39 -0.35 0.19 2.35 -1.18 -2.17 115.58 114.49 6hbi h ASN 32 Ca -0.02 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 6hbi h ASN 32 Cb 0.25 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 6hbi h ASN 32 CO 0.03 1.06 0.21 1.23 -1.65 0.00 0.00 177.43 178.32 6hbi h GLY 33 N 1.49 0.50 1.12 2.83 0.00 -0.92 -0.65 103.07 107.43 6hbi h GLY 33 Ca -0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 6hbi h GLY 33 CO 0.14 0.20 -0.30 -2.08 0.00 0.00 0.00 176.54 174.50 6hbi h VAL 34 N 0.46 1.27 -0.84 4.60 2.07 -1.20 -2.50 116.25 120.10 6hbi h VAL 34 Ca 0.13 -1.47 0.12 0.00 0.82 0.00 0.00 66.70 66.29 6hbi h VAL 34 Cb -0.01 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 6hbi h VAL 34 CO -0.02 0.50 0.46 0.00 0.02 0.00 0.00 177.57 178.53 6hbi h ALA 35 N 0.82 1.23 0.10 1.67 0.00 -1.07 0.23 119.26 122.24 6hbi h ALA 35 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 6hbi h ALA 35 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 6hbi h ALA 35 CO 0.08 0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 6hbi h LEU 36 N 0.73 -0.12 -0.38 0.00 3.38 -0.89 -1.70 115.31 116.33 6hbi h LEU 36 Ca 0.43 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 6hbi h LEU 36 Cb 0.48 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 6hbi h LEU 36 CO -0.29 -0.04 0.05 0.24 0.09 0.00 0.00 178.44 178.49 6hbi h MET 37 N -0.19 0.65 -0.08 1.13 2.86 -1.00 0.11 114.93 118.41 6hbi h MET 37 Ca -0.01 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 6hbi h MET 37 Cb 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 6hbi h MET 37 CO 0.02 0.71 -0.42 1.79 1.06 0.00 0.00 176.91 180.08 6hbi h THR 38 N 0.49 1.31 -0.55 2.22 1.35 -0.97 -1.46 112.91 115.29 6hbi h THR 38 Ca 0.12 -1.51 -0.10 0.00 -0.55 0.00 0.00 66.41 64.37 6hbi h THR 38 Cb 0.39 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 6hbi h THR 38 CO 0.01 0.44 -0.05 0.74 -0.25 0.00 0.00 175.52 176.42 6hbi h THR 39 N 0.14 1.26 -0.20 6.82 2.02 -1.09 -1.19 112.91 120.69 6hbi h THR 39 Ca 0.01 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.03 6hbi h THR 39 Cb 0.80 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 6hbi h THR 39 CO 0.06 0.42 0.08 0.25 0.37 0.00 0.00 175.52 176.70 6hbi h LEU 40 N 0.90 0.10 -1.03 2.58 5.85 -0.32 -0.56 115.31 122.83 6hbi h LEU 40 Ca 0.15 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 6hbi h LEU 40 Cb 0.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 6hbi h LEU 40 CO 0.04 0.09 0.09 -0.26 -0.34 0.00 0.00 178.44 178.05 6hbi h PHE 41 N 0.18 0.81 -0.14 1.25 0.04 -1.21 0.41 116.94 118.29 6hbi h PHE 41 Ca 0.08 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 6hbi h PHE 41 Cb 0.04 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 6hbi h PHE 41 CO -0.11 0.71 -0.10 0.00 -0.60 0.00 0.00 178.31 178.21 6hbi h ALA 42 N 1.35 0.19 0.00 2.45 0.00 -0.86 -2.95 119.26 119.44 6hbi h ALA 42 Ca 0.16 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 6hbi h ALA 42 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 6hbi h ALA 42 CO 0.00 0.03 -0.97 -0.44 0.00 0.00 0.00 179.25 177.87 6hbi h ASP 43 N -0.06 0.00 -2.34 0.00 3.32 -0.96 -3.39 116.42 113.00 6hbi h ASP 43 Ca 0.03 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.49 6hbi h ASP 43 Cb 0.60 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.75 6hbi h ASP 43 CO 0.03 0.57 -0.90 0.59 -1.72 0.00 0.00 179.24 177.81 6hbi n ASN 44 N -3.07 0.95 0.15 6.45 4.13 0.12 -4.98 115.26 119.01 6hbi n ASN 44 Ca -0.04 -2.78 0.16 0.00 1.68 0.00 0.00 54.58 53.61 6hbi n ASN 44 Cb 0.80 -0.63 0.73 0.00 -1.54 0.00 0.00 39.78 39.14 6hbi n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 6hbi h GLN 45 N 4.83 0.00 0.00 3.52 3.07 -1.71 -1.11 115.11 123.71 6hbi h GLN 45 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 6hbi h GLN 45 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 6hbi h GLN 45 CO 0.53 0.00 0.00 1.05 0.09 0.00 0.00 178.83 180.50 6hbi h GLU 46 N 0.00 0.00 0.00 0.06 9.09 -1.93 -2.40 114.58 119.40 6hbi h GLU 46 Ca 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.53 6hbi h GLU 46 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.65 6hbi h GLU 46 CO -0.00 0.00 -0.03 1.79 0.05 0.00 0.00 179.01 180.82 6hbi h THR 47 N 0.00 0.08 -0.26 -1.06 1.35 -1.54 -2.79 112.91 108.69 6hbi h THR 47 Ca 0.00 -0.58 0.07 0.00 -0.55 0.00 0.00 66.41 65.36 6hbi h THR 47 Cb 0.25 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 6hbi h THR 47 CO 0.00 0.03 0.21 0.40 -0.25 0.00 0.00 175.52 175.91 6hbi h ILE 48 N 0.00 0.71 -0.16 6.82 2.04 -1.63 -1.32 117.51 123.98 6hbi h ILE 48 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 6hbi h ILE 48 Cb 0.53 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 6hbi h ILE 48 CO 0.00 0.00 0.23 1.23 0.00 0.00 0.00 178.15 179.62 6hbi h GLY 49 N 0.00 0.00 1.64 5.37 0.00 -1.71 0.16 103.07 108.53 6hbi h GLY 49 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 6hbi h GLY 49 CO -0.00 0.00 -0.23 -1.72 0.00 0.00 0.00 176.54 174.59 6hbi n TYR 50 N -3.55 0.43 -1.38 5.60 4.02 -0.50 -4.26 117.16 117.52 6hbi n TYR 50 Ca 0.01 0.12 -0.01 0.00 -0.01 0.00 0.00 57.90 58.02 6hbi n TYR 50 Cb 0.34 -0.64 0.21 0.00 -0.02 0.00 0.00 39.34 39.23 6hbi n TYR 50 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 6hbi n PHE 51 N -1.88 0.91 -0.20 -0.72 3.72 0.55 -4.73 117.46 115.11 6hbi n PHE 51 Ca 0.05 -1.46 0.17 0.00 -0.05 0.00 0.00 57.45 56.16 6hbi n PHE 51 Cb 0.39 -0.43 0.50 0.00 -0.94 0.00 0.00 39.48 39.00 6hbi n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 6hbi h LYS 52 N 1.06 0.42 0.00 -1.08 3.64 -1.74 -0.77 116.57 118.10 6hbi h LYS 52 Ca 0.16 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 6hbi h LYS 52 Cb 1.54 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 6hbi h LYS 52 CO 0.31 0.28 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.64 6hbi h ARG 53 N 0.43 0.00 0.00 1.90 2.43 -1.94 -1.65 114.38 115.55 6hbi h ARG 53 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 6hbi h ARG 53 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 6hbi h ARG 53 CO -0.14 0.03 0.00 -0.07 -1.51 0.00 0.00 179.97 178.28 6hbi h LEU 54 N 0.00 0.00 0.00 3.80 4.07 -1.51 -3.49 115.31 118.18 6hbi h LEU 54 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 6hbi h LEU 54 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 6hbi h LEU 54 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 6hbi n GLY 55 N 0.50 0.69 3.19 0.83 0.00 -0.62 -4.58 105.19 105.19 6hbi n GLY 55 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 6hbi n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 6hbi n ASP 56 N 6.26 3.49 0.26 1.61 9.92 -1.26 -4.77 116.55 132.07 6hbi n ASP 56 Ca 0.00 -2.78 0.17 0.00 -0.53 0.00 0.00 54.79 51.65 6hbi n ASP 56 Cb 0.00 -1.52 0.78 0.00 -0.64 0.00 0.00 41.12 39.74 6hbi n ASP 56 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 6hbi h VAL 57 N 4.90 0.12 0.00 2.53 -1.51 -1.94 -0.53 116.25 119.82 6hbi h VAL 57 Ca 0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.89 6hbi h VAL 57 Cb 0.76 0.65 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 6hbi h VAL 57 CO 1.69 0.00 -0.02 0.28 -1.23 0.00 0.00 177.57 178.29 6hbi h SER 58 N 0.00 0.00 0.81 4.19 0.02 -1.99 -1.75 113.55 114.83 6hbi h SER 58 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 6hbi h SER 58 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 6hbi h SER 58 CO -0.00 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 6hbi n GLN 59 N -3.30 0.14 0.00 3.45 6.02 -0.21 -4.95 117.38 118.53 6hbi n GLN 59 Ca -0.02 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 6hbi n GLN 59 Cb 0.14 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.66 6hbi n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 6hbi n GLY 60 N 0.31 3.49 0.44 1.08 0.00 -0.66 -2.43 105.19 107.43 6hbi n GLY 60 Ca 0.03 -0.11 0.25 0.00 0.00 0.00 0.00 46.02 46.20 6hbi n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 6hbi h MET 61 N 0.00 0.08 0.00 1.61 1.85 -1.92 -1.27 114.93 115.29 6hbi h MET 61 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 6hbi h MET 61 Cb 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.01 6hbi h MET 61 CO 0.00 0.06 0.00 0.00 -0.40 0.00 0.00 176.91 176.57 6hbi n ALA 62 N -2.66 2.13 -2.57 0.39 0.00 -1.02 -4.58 120.51 112.20 6hbi n ALA 62 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 6hbi n ALA 62 Cb 0.84 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 6hbi n ALA 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 6hbi s ASN 63 N -4.26 6.52 0.26 0.00 3.04 -0.48 -4.92 114.94 115.10 6hbi s ASN 63 Ca 0.10 0.20 -0.04 0.00 0.04 0.00 0.00 52.86 53.16 6hbi s ASN 63 Cb 0.12 -2.42 0.36 0.00 -1.54 0.00 0.00 41.25 37.77 6hbi s ASN 63 CO 0.54 -0.90 1.90 0.44 -3.04 0.00 0.00 177.10 176.04 6hbi h ASP 64 N 8.80 1.08 -0.56 -4.21 3.32 -1.86 -0.78 116.42 122.22 6hbi h ASP 64 Ca -0.24 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 6hbi h ASP 64 Cb 1.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 6hbi h ASP 64 CO 0.97 0.73 -0.06 0.11 -1.72 0.00 0.00 179.24 179.27 6hbi h LYS 65 N 1.24 1.04 -0.27 3.56 1.57 -1.91 0.60 116.57 122.40 6hbi h LYS 65 Ca 0.41 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 6hbi h LYS 65 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 6hbi h LYS 65 CO -0.14 1.05 -0.12 1.25 -0.57 0.00 0.00 179.45 180.93 6hbi h LEU 66 N 0.93 0.57 -0.50 2.94 5.85 -1.68 -1.28 115.31 122.14 6hbi h LEU 66 Ca 0.15 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.50 6hbi h LEU 66 Cb 0.62 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 6hbi h LEU 66 CO 0.04 0.85 0.29 -0.09 -0.34 0.00 0.00 178.44 179.19 6hbi h ARG 67 N 0.30 0.56 -0.33 1.25 2.43 -1.02 0.26 114.38 117.83 6hbi h ARG 67 Ca 0.06 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 6hbi h ARG 67 Cb 0.62 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 6hbi h ARG 67 CO 0.04 0.37 0.06 0.78 -1.51 0.00 0.00 179.97 179.71 6hbi h GLY 68 N 0.58 0.37 0.90 2.80 0.00 -0.81 -1.20 103.07 105.72 6hbi h GLY 68 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 6hbi h GLY 68 CO -0.10 -0.02 0.10 0.84 0.00 0.00 0.00 176.54 177.35 6hbi h HIS 69 N 0.17 0.41 -0.72 5.60 -0.00 -0.83 -2.65 115.15 117.12 6hbi h HIS 69 Ca 0.15 -0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 6hbi h HIS 69 Cb 0.17 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 6hbi h HIS 69 CO -0.18 0.42 0.44 0.77 -0.00 0.00 0.00 177.93 179.38 6hbi h SER 70 N 0.27 0.71 -0.44 3.26 0.02 -0.64 -0.41 113.55 116.32 6hbi h SER 70 Ca 0.09 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 6hbi h SER 70 Cb 0.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 6hbi h SER 70 CO -0.01 0.48 0.05 0.40 -1.14 0.00 0.00 176.83 176.61 6hbi h ILE 71 N 0.85 1.25 -0.49 3.27 2.04 -1.20 -2.82 117.51 120.41 6hbi h ILE 71 Ca 0.30 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 6hbi h ILE 71 Cb 0.07 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 6hbi h ILE 71 CO -0.13 0.33 0.10 0.58 0.00 0.00 0.00 178.15 179.02 6hbi h VAL 72 N 0.60 1.22 -0.44 1.67 2.07 -1.07 -2.62 116.25 117.68 6hbi h VAL 72 Ca 0.13 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.89 6hbi h VAL 72 Cb 0.42 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 6hbi h VAL 72 CO 0.01 0.29 0.21 0.25 0.02 0.00 0.00 177.57 178.36 6hbi h LEU 73 N 0.72 0.30 -1.77 2.57 6.46 -0.88 -1.96 115.31 120.75 6hbi h LEU 73 Ca 0.16 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 6hbi h LEU 73 Cb 0.30 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 6hbi h LEU 73 CO 0.00 0.22 -0.12 0.24 -0.62 0.00 0.00 178.44 178.16 6hbi h MET 74 N 0.43 0.00 0.00 1.25 2.86 -1.23 -1.09 114.93 117.15 6hbi h MET 74 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 6hbi h MET 74 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 6hbi h MET 74 CO -0.14 0.12 -0.13 1.88 1.06 0.00 0.00 176.91 179.69 6hbi h TYR 75 N 0.00 0.00 -0.24 -0.22 0.05 -1.20 0.17 116.97 115.53 6hbi h TYR 75 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 6hbi h TYR 75 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 6hbi h TYR 75 CO 0.00 0.13 -0.62 0.00 -1.05 0.00 0.00 178.16 176.62 6hbi h ALA 76 N 1.87 0.44 -0.44 3.88 0.00 -1.00 -1.43 119.26 122.57 6hbi h ALA 76 Ca -0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 6hbi h ALA 76 Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 6hbi h ALA 76 CO 0.02 0.68 -0.23 -0.07 0.00 0.00 0.00 179.25 179.65 6hbi h LEU 77 N 0.61 0.97 -0.51 0.00 3.38 -1.16 -1.63 115.31 116.97 6hbi h LEU 77 Ca -0.01 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.65 6hbi h LEU 77 Cb 1.23 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 6hbi h LEU 77 CO 0.13 1.17 0.09 -0.61 0.09 0.00 0.00 178.44 179.31 6hbi h GLN 78 N 0.78 0.21 0.14 1.13 5.75 -0.90 -0.16 115.11 122.06 6hbi h GLN 78 Ca 0.10 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 6hbi h GLN 78 Cb 0.81 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 6hbi h GLN 78 CO 0.07 0.14 -0.17 -0.97 -2.65 0.00 0.00 178.83 175.25 6hbi h ASN 79 N 0.22 -0.45 -0.58 -0.69 -0.73 -0.95 -1.57 115.58 110.82 6hbi h ASN 79 Ca 0.26 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.53 6hbi h ASN 79 Cb 0.36 0.16 -0.05 0.00 0.27 0.00 0.00 38.32 39.07 6hbi h ASN 79 CO -0.35 -0.25 0.30 -0.26 -0.37 0.00 0.00 177.43 176.50 6hbi h PHE 80 N -0.35 0.54 -0.70 0.67 0.04 -0.59 -1.97 116.94 114.58 6hbi h PHE 80 Ca 0.01 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 6hbi h PHE 80 Cb 0.35 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 6hbi h PHE 80 CO -0.15 0.25 0.46 0.82 -0.60 0.00 0.00 178.31 179.09 6hbi h ILE 81 N 0.56 1.18 0.00 -0.55 1.08 -0.86 -1.84 117.51 117.09 6hbi h ILE 81 Ca 0.26 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 6hbi h ILE 81 Cb 0.18 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 6hbi h ILE 81 CO -0.18 0.18 -0.02 0.44 -0.69 0.00 0.00 178.15 177.88 6hbi h ASP 82 N 0.95 0.00 -0.16 1.72 3.32 -0.56 -2.84 116.42 118.86 6hbi h ASP 82 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 6hbi h ASP 82 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 6hbi h ASP 82 CO -0.05 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.48 6hbi n GLN 83 N -3.12 2.08 -0.06 3.56 1.13 -0.71 -4.57 117.38 115.70 6hbi n GLN 83 Ca 0.00 -1.61 0.19 0.00 -1.94 0.00 0.00 57.00 53.65 6hbi n GLN 83 Cb 0.29 -1.46 0.64 0.00 0.11 0.00 0.00 30.24 29.81 6hbi n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 6hbi h LEU 84 N 3.51 0.12 -1.05 1.08 3.38 -1.35 -1.47 115.31 119.52 6hbi h LEU 84 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 6hbi h LEU 84 Cb 0.76 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.49 6hbi h LEU 84 CO 0.00 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.06 6hbi n ASP 85 N -4.40 1.63 -3.73 -0.43 8.00 -1.26 -4.48 116.55 111.87 6hbi n ASP 85 Ca 0.11 -1.57 -0.30 0.00 0.71 0.00 0.00 54.79 53.75 6hbi n ASP 85 Cb 0.60 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.54 6hbi n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 6hbi s ASN 86 N -1.92 3.87 0.45 -2.24 3.84 -0.55 -5.00 114.94 113.39 6hbi s ASN 86 Ca 0.37 -2.11 0.23 0.00 0.21 0.00 0.00 52.86 51.56 6hbi s ASN 86 Cb 0.20 -0.96 1.23 0.00 -0.55 0.00 0.00 41.25 41.18 6hbi s ASN 86 CO 0.32 -0.35 1.83 -0.65 -2.79 0.00 0.00 177.10 175.47 6hbi h PRO 87 N 7.44 0.26 -0.18 0.43 0.11 -1.79 -1.19 132.00 137.08 6hbi h PRO 87 Ca -0.07 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 6hbi h PRO 87 Cb 0.98 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 6hbi h PRO 87 CO 0.47 0.17 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.47 6hbi h ASP 88 N 0.27 0.57 0.20 -2.05 3.32 -1.94 -0.97 116.42 115.81 6hbi h ASP 88 Ca 0.50 -0.29 -0.31 0.00 0.02 0.00 0.00 57.03 56.96 6hbi h ASP 88 Cb 1.50 -0.16 0.03 0.00 0.22 0.00 0.00 39.33 40.92 6hbi h ASP 88 CO -0.15 0.98 -1.29 0.44 -1.72 0.00 0.00 179.24 177.50 6hbi h ASP 89 N 0.40 0.83 -0.15 6.45 3.32 -1.59 -2.42 116.42 123.27 6hbi h ASP 89 Ca 0.01 -0.80 0.03 0.00 0.02 0.00 0.00 57.03 56.30 6hbi h ASP 89 Cb 1.05 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 6hbi h ASP 89 CO 0.10 1.61 -0.05 0.25 -1.72 0.00 0.00 179.24 179.42 6hbi h LEU 90 N 0.23 -0.17 -0.62 1.55 5.85 -1.22 -1.20 115.31 119.72 6hbi h LEU 90 Ca -0.20 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 6hbi h LEU 90 Cb 1.97 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 6hbi h LEU 90 CO 0.24 -0.07 0.22 0.58 -0.34 0.00 0.00 178.44 179.08 6hbi h VAL 91 N -0.02 1.24 -0.03 1.05 2.07 -1.19 -0.16 116.25 119.22 6hbi h VAL 91 Ca 0.07 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 6hbi h VAL 91 Cb 0.13 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 6hbi h VAL 91 CO -0.16 0.30 -0.47 0.00 0.02 0.00 0.00 177.57 177.26 6hbi h VAL 93 N 0.06 1.34 -0.73 0.00 2.07 -0.96 -1.69 116.25 116.34 6hbi h VAL 93 Ca 0.00 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 6hbi h VAL 93 Cb 0.86 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 6hbi h VAL 93 CO 0.06 0.33 0.44 0.58 0.02 0.00 0.00 177.57 179.01 6hbi h VAL 94 N -0.16 1.21 -0.67 2.57 2.07 -0.86 0.57 116.25 120.97 6hbi h VAL 94 Ca 0.02 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 6hbi h VAL 94 Cb 0.56 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 6hbi h VAL 94 CO 0.02 0.21 0.20 -0.33 0.02 0.00 0.00 177.57 177.70 6hbi h GLU 95 N 0.99 1.02 -0.03 1.57 5.08 -1.22 -1.11 114.58 120.89 6hbi h GLU 95 Ca 0.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 6hbi h GLU 95 Cb -0.04 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 6hbi h GLU 95 CO -0.05 0.88 0.01 -0.22 -1.00 0.00 0.00 179.01 178.63 6hbi h LYS 96 N 0.98 0.04 -0.80 2.33 1.63 -0.65 -2.88 116.57 117.23 6hbi h LYS 96 Ca 0.22 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.10 6hbi h LYS 96 Cb 0.29 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.84 6hbi h LYS 96 CO -0.01 0.14 0.45 0.35 -3.45 0.00 0.00 179.45 176.94 6hbi h PHE 97 N -0.07 0.83 -0.03 1.91 3.57 -0.81 -2.62 116.94 119.72 6hbi h PHE 97 Ca 0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 6hbi h PHE 97 Cb 0.11 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 6hbi h PHE 97 CO -0.04 0.35 -0.10 0.00 -2.23 0.00 0.00 178.31 176.29 6hbi h ALA 98 N 1.43 1.77 -0.40 2.41 0.00 -0.99 -3.31 119.26 120.17 6hbi h ALA 98 Ca 0.38 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.26 6hbi h ALA 98 Cb 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 6hbi h ALA 98 CO -0.23 0.17 -0.30 0.28 0.00 0.00 0.00 179.25 179.17 6hbi h VAL 99 N 0.05 0.26 0.00 0.00 2.07 -1.31 0.05 116.25 117.37 6hbi h VAL 99 Ca 0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 6hbi h VAL 99 Cb 0.21 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 6hbi h VAL 99 CO 0.01 0.00 -0.48 0.78 0.02 0.00 0.00 177.57 177.90 6hbi h ASN 100 N -0.23 0.00 0.23 0.57 2.35 -1.77 -2.37 115.58 114.36 6hbi h ASN 100 Ca 0.18 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 6hbi h ASN 100 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 6hbi h ASN 100 CO -0.53 0.48 -0.53 0.45 -1.65 0.00 0.00 177.43 175.65 6hbi h HIS 101 N 0.00 0.40 -0.11 1.19 3.86 -1.28 -1.64 115.15 117.57 6hbi h HIS 101 Ca -0.00 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 6hbi h HIS 101 Cb 0.99 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 6hbi h HIS 101 CO 0.00 0.78 -0.07 0.82 0.86 0.00 0.00 177.93 180.32 6hbi h ILE 102 N 0.25 1.34 -0.48 2.45 2.04 -0.76 -1.63 117.51 120.72 6hbi h ILE 102 Ca 0.01 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.79 6hbi h ILE 102 Cb 1.01 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 6hbi h ILE 102 CO 0.09 0.33 0.33 0.74 0.00 0.00 0.00 178.15 179.64 6hbi h THR 103 N -0.13 0.91 -0.01 -0.27 2.02 -1.29 0.80 112.91 114.95 6hbi h THR 103 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.10 6hbi h THR 103 Cb 0.56 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 6hbi h THR 103 CO 0.02 0.06 0.00 0.54 0.37 0.00 0.00 175.52 176.51 6hbi n ARG 104 N -4.47 1.05 -3.61 6.66 1.74 -0.63 -4.92 116.66 112.48 6hbi n ARG 104 Ca 0.07 -0.08 -0.23 0.00 -0.77 0.00 0.00 57.85 56.84 6hbi n ARG 104 Cb 0.33 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 6hbi n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 6hbi n LYS 105 N -0.79 -7.28 -3.31 5.56 5.02 0.27 -4.95 118.16 112.68 6hbi n LYS 105 Ca 0.18 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 6hbi n LYS 105 Cb 0.10 -5.80 -0.09 0.00 -0.02 0.00 0.00 35.03 29.22 6hbi n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 6hbi s ILE 106 N -3.34 5.07 0.80 -0.18 1.01 -0.63 -5.05 121.20 118.88 6hbi s ILE 106 Ca 0.46 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 6hbi s ILE 106 Cb -0.21 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.34 6hbi s ILE 106 CO 0.75 -0.34 1.15 -0.94 0.00 0.00 0.00 174.94 175.56 6hbi s SER 107 N 1.80 4.56 0.37 3.58 1.04 -1.26 -4.58 113.70 119.21 6hbi s SER 107 Ca 0.14 0.90 0.06 0.00 0.48 0.00 0.00 55.95 57.53 6hbi s SER 107 Cb -0.16 -1.48 0.74 0.00 0.10 0.00 0.00 66.02 65.22 6hbi s SER 107 CO 0.14 -1.88 1.97 0.00 0.98 0.00 0.00 173.24 174.44 6hbi h ALA 108 N -1.04 1.69 -0.36 5.32 0.00 -1.85 -0.98 119.26 122.04 6hbi h ALA 108 Ca -0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 6hbi h ALA 108 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 6hbi h ALA 108 CO 0.65 0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.99 6hbi h ALA 109 N 1.62 0.50 -0.42 0.00 0.00 -1.94 -0.31 119.26 118.71 6hbi h ALA 109 Ca 0.29 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 6hbi h ALA 109 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 6hbi h ALA 109 CO -0.09 0.38 -0.05 1.49 0.00 0.00 0.00 179.25 180.98 6hbi h GLU 110 N 0.51 0.77 -0.77 0.00 4.57 -1.82 -2.79 114.58 115.06 6hbi h GLU 110 Ca 0.09 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 6hbi h GLU 110 Cb 0.63 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 6hbi h GLU 110 CO 0.04 0.87 0.38 0.35 -1.18 0.00 0.00 179.01 179.47 6hbi h PHE 111 N 0.60 1.08 0.00 0.92 3.57 -1.16 -1.84 116.94 120.11 6hbi h PHE 111 Ca 0.11 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 6hbi h PHE 111 Cb 0.56 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.96 6hbi h PHE 111 CO 0.04 0.78 0.08 0.78 -2.23 0.00 0.00 178.31 177.76 6hbi h GLY 112 N 1.12 0.00 2.00 2.40 0.00 -0.76 -2.12 103.07 105.72 6hbi h GLY 112 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 6hbi h GLY 112 CO -0.04 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.00 6hbi h LYS 113 N 0.00 0.00 0.00 4.80 1.57 -1.32 -2.33 116.57 119.28 6hbi h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 6hbi h LYS 113 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 6hbi h LYS 113 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 179.45 180.39 6hbi n ILE 114 N -3.01 0.81 -0.24 1.86 0.13 -0.80 -3.62 119.36 114.49 6hbi n ILE 114 Ca -0.02 0.21 -0.08 0.00 -1.10 0.00 0.00 62.75 61.76 6hbi n ILE 114 Cb 0.14 -1.14 0.04 0.00 -0.84 0.00 0.00 39.64 37.84 6hbi n ILE 114 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 6hbi h ASN 115 N 0.00 1.08 0.23 9.51 -0.26 -1.66 -1.86 115.58 122.62 6hbi h ASN 115 Ca 0.00 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.47 6hbi h ASN 115 Cb 0.39 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 6hbi h ASN 115 CO 0.00 1.06 -0.11 1.23 -1.06 0.00 0.00 177.43 178.55 6hbi h GLY 116 N 1.06 -0.33 -0.57 2.83 0.00 -1.80 -1.54 103.07 102.72 6hbi h GLY 116 Ca 0.21 0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.82 6hbi h GLY 116 CO 0.01 -0.12 -0.21 -2.55 0.00 0.00 0.00 176.54 173.67 6hbi h PRO 117 N -0.35 -0.01 -0.03 4.80 0.11 -1.73 -1.90 132.00 132.89 6hbi h PRO 117 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 6hbi h PRO 117 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 6hbi h PRO 117 CO 0.05 -0.01 0.02 0.82 -0.21 0.00 0.00 178.00 178.67 6hbi h ILE 118 N -0.01 1.03 -0.83 4.15 2.04 -1.10 -0.64 117.51 122.14 6hbi h ILE 118 Ca 0.36 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.26 6hbi h ILE 118 Cb 0.57 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 6hbi h ILE 118 CO -0.80 0.02 0.47 0.50 0.00 0.00 0.00 178.15 178.33 6hbi h LYS 119 N 0.02 0.73 -0.37 2.37 3.64 -1.03 0.07 116.57 122.00 6hbi h LYS 119 Ca 0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 6hbi h LYS 119 Cb 0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 6hbi h LYS 119 CO -0.00 0.49 -0.17 0.87 -2.27 0.00 0.00 179.45 178.36 6hbi h LYS 120 N 0.76 0.77 -0.36 1.90 1.57 -0.86 -0.27 116.57 120.08 6hbi h LYS 120 Ca 0.41 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 6hbi h LYS 120 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 6hbi h LYS 120 CO -0.27 0.95 0.13 0.28 -0.57 0.00 0.00 179.45 179.97 6hbi h VAL 121 N 0.56 1.20 -0.37 0.50 2.07 -0.65 -0.50 116.25 119.08 6hbi h VAL 121 Ca 0.08 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.99 6hbi h VAL 121 Cb 0.72 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 6hbi h VAL 121 CO 0.05 0.22 0.19 -0.07 0.02 0.00 0.00 177.57 177.99 6hbi h LEU 122 N 0.43 0.30 -1.49 2.57 3.38 -0.92 -2.16 115.31 117.41 6hbi h LEU 122 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 6hbi h LEU 122 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 6hbi h LEU 122 CO -0.01 0.22 -0.09 0.00 0.09 0.00 0.00 178.44 178.65 6hbi h ALA 123 N 1.18 1.59 0.00 1.53 0.00 -0.70 0.32 119.26 123.17 6hbi h ALA 123 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 6hbi h ALA 123 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 6hbi h ALA 123 CO -0.09 0.30 -0.19 0.66 0.00 0.00 0.00 179.25 179.93 6hbi h SER 124 N 0.21 0.00 -0.53 0.00 4.64 -0.42 -1.11 113.55 116.33 6hbi h SER 124 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 6hbi h SER 124 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 6hbi h SER 124 CO 0.02 0.19 0.00 0.29 -0.87 0.00 0.00 176.83 176.46 6hbi n LYS 125 N -3.53 4.13 -3.45 4.77 5.02 -0.58 -4.96 118.16 119.56 6hbi n LYS 125 Ca -0.01 -2.99 -0.19 0.00 -2.02 0.00 0.00 58.31 53.11 6hbi n LYS 125 Cb 0.35 -2.04 0.08 0.00 -0.02 0.00 0.00 35.03 33.40 6hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 6hbi n ASN 126 N 0.55 -3.32 -4.28 4.39 3.02 -0.42 -5.02 115.26 110.18 6hbi n ASN 126 Ca 0.25 -0.58 -0.36 0.00 -0.03 0.00 0.00 54.58 53.87 6hbi n ASN 126 Cb 1.03 -4.99 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 6hbi n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 6hbi s PHE 127 N -3.34 3.08 0.00 3.10 0.08 -0.00 -4.97 117.98 115.93 6hbi s PHE 127 Ca 0.17 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 56.02 6hbi s PHE 127 Cb -0.08 -2.14 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 6hbi s PHE 127 CO 0.71 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 175.61 6hbi n GLY 128 N 4.77 -0.55 0.36 4.36 0.00 -1.26 -2.85 105.19 110.02 6hbi n GLY 128 Ca -0.16 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.26 6hbi n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 6hbi h ASP 129 N 0.00 0.78 -0.69 1.61 3.32 -1.98 -1.32 116.42 118.14 6hbi h ASP 129 Ca 0.00 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.20 6hbi h ASP 129 Cb 0.00 -0.16 -0.12 0.00 0.22 0.00 0.00 39.33 39.27 6hbi h ASP 129 CO 0.00 0.50 -0.05 0.50 -1.72 0.00 0.00 179.24 178.46 6hbi h LYS 130 N 0.88 0.07 0.07 3.56 3.64 -2.00 -0.18 116.57 122.60 6hbi h LYS 130 Ca 0.35 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.47 6hbi h LYS 130 Cb 0.25 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 6hbi h LYS 130 CO -0.13 0.05 -1.10 1.88 -2.27 0.00 0.00 179.45 177.88 6hbi h TYR 131 N 0.07 0.67 -0.66 1.91 0.05 -1.59 -3.00 116.97 114.42 6hbi h TYR 131 Ca 0.36 -0.41 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 6hbi h TYR 131 Cb 0.59 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 6hbi h TYR 131 CO -0.45 1.26 0.33 0.00 -1.05 0.00 0.00 178.16 178.26 6hbi h ALA 132 N 0.59 1.35 -0.48 3.88 0.00 -0.85 -1.39 119.26 122.34 6hbi h ALA 132 Ca -0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 6hbi h ALA 132 Cb 1.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 6hbi h ALA 132 CO 0.19 0.52 -0.13 -0.91 0.00 0.00 0.00 179.25 178.92 6hbi h ASN 133 N 0.92 0.95 -0.14 0.00 2.35 -1.07 -1.28 115.58 117.32 6hbi h ASN 133 Ca 0.23 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 6hbi h ASN 133 Cb 0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 6hbi h ASN 133 CO -0.03 1.10 0.01 0.00 -1.65 0.00 0.00 177.43 176.85 6hbi h ALA 134 N 0.88 0.12 -0.36 -0.83 0.00 -1.26 -1.94 119.26 115.88 6hbi h ALA 134 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 6hbi h ALA 134 Cb 0.69 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 6hbi h ALA 134 CO 0.05 -0.44 -0.02 -1.49 0.00 0.00 0.00 179.25 177.35 6hbi h TRP 135 N 0.05 0.60 -0.47 0.00 4.06 -1.16 -1.46 115.95 117.58 6hbi h TRP 135 Ca 0.07 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 6hbi h TRP 135 Cb 0.07 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 6hbi h TRP 135 CO -0.14 0.59 0.19 0.00 -3.56 0.00 0.00 178.44 175.52 6hbi h ALA 136 N 1.44 1.46 -0.01 1.49 0.00 -0.85 -0.99 119.26 121.81 6hbi h ALA 136 Ca 0.11 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 6hbi h ALA 136 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 6hbi h ALA 136 CO 0.01 0.41 -0.60 0.87 0.00 0.00 0.00 179.25 179.95 6hbi h LYS 137 N 0.66 0.02 -0.25 0.00 1.57 -0.51 -0.53 116.57 117.54 6hbi h LYS 137 Ca 0.16 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 6hbi h LYS 137 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 6hbi h LYS 137 CO -0.02 0.61 -0.45 1.25 -0.57 0.00 0.00 179.45 180.27 6hbi h LEU 138 N 0.01 0.83 -1.16 2.94 5.85 -0.84 -3.00 115.31 119.94 6hbi h LEU 138 Ca -0.01 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.20 6hbi h LEU 138 Cb 1.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 6hbi h LEU 138 CO 0.08 1.20 0.57 0.58 -0.34 0.00 0.00 178.44 180.53 6hbi h VAL 139 N 0.48 1.20 0.00 1.05 2.07 -1.03 -1.71 116.25 118.31 6hbi h VAL 139 Ca 0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 6hbi h VAL 139 Cb 1.05 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 6hbi h VAL 139 CO 0.10 0.21 -0.00 0.00 0.02 0.00 0.00 177.57 177.90 6hbi h ALA 140 N 1.47 1.94 -0.36 1.67 0.00 -0.96 0.16 119.26 123.17 6hbi h ALA 140 Ca 0.32 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 6hbi h ALA 140 Cb -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 6hbi h ALA 140 CO -0.08 0.00 0.05 0.28 0.00 0.00 0.00 179.25 179.51 6hbi h VAL 141 N 0.00 1.24 -0.44 0.00 2.07 -1.18 -0.57 116.25 117.36 6hbi h VAL 141 Ca -0.00 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 6hbi h VAL 141 Cb 0.00 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 6hbi h VAL 141 CO 0.00 0.29 -0.16 0.58 0.02 0.00 0.00 177.57 178.30 6hbi h VAL 142 N 0.44 1.27 -0.36 2.57 2.07 -1.31 -2.36 116.25 118.58 6hbi h VAL 142 Ca 0.11 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.40 6hbi h VAL 142 Cb 0.37 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 6hbi h VAL 142 CO 0.01 0.44 0.25 1.56 0.02 0.00 0.00 177.57 179.85 6hbi h GLN 143 N 0.72 0.21 0.00 1.57 4.20 -0.74 0.17 115.11 121.24 6hbi h GLN 143 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 6hbi h GLN 143 Cb 0.72 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.45 6hbi h GLN 143 CO 0.05 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 6hbi n ALA 144 N -2.55 1.84 1.07 3.87 0.00 -0.25 -2.71 120.51 121.78 6hbi n ALA 144 Ca 0.04 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.62 6hbi n ALA 144 Cb 0.28 -1.37 0.12 0.00 0.00 0.00 0.00 19.45 18.48 6hbi n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6hbi n ALA 145 N -1.68 3.67 0.96 0.00 0.00 0.57 -0.09 120.51 123.95 6hbi n ALA 145 Ca 0.04 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.07 6hbi n ALA 145 Cb 0.26 -0.94 0.10 0.00 0.00 0.00 0.00 19.45 18.87 6hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78