#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 0.57 -0.27 -3.33 3.04 -1.88 -2.21 116.25 112.17 6hbi h VAL 3 Ca 0.00 -0.44 -0.10 0.00 -1.01 0.00 0.00 66.70 65.14 6hbi h VAL 3 Cb 0.00 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 6hbi h VAL 3 CO 0.00 0.10 -0.23 1.88 -1.01 0.00 0.00 177.57 178.30 6hbi h TYR 4 N 0.00 0.76 -0.50 3.17 0.05 -1.97 -0.41 116.97 118.07 6hbi h TYR 4 Ca -0.00 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.48 6hbi h TYR 4 Cb 0.28 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 6hbi h TYR 4 CO 0.00 0.93 0.00 -0.44 -1.05 0.00 0.00 178.16 177.60 6hbi h ASP 5 N 0.37 0.86 -0.58 3.88 3.32 -1.92 -2.68 116.42 119.66 6hbi h ASP 5 Ca 0.05 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 6hbi h ASP 5 Cb 0.79 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 6hbi h ASP 5 CO 0.06 0.96 0.19 0.00 -1.72 0.00 0.00 179.24 178.73 6hbi h ALA 6 N 0.93 0.75 -0.66 3.45 0.00 -1.32 -2.73 119.26 119.69 6hbi h ALA 6 Ca 0.14 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.90 6hbi h ALA 6 Cb 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 6hbi h ALA 6 CO 0.03 0.41 0.43 0.00 0.00 0.00 0.00 179.25 180.12 6hbi h ALA 7 N 1.05 1.69 0.00 0.00 0.00 -1.00 -1.40 119.26 119.61 6hbi h ALA 7 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 6hbi h ALA 7 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 6hbi h ALA 7 CO -0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.47 6hbi h ALA 8 N 1.63 1.00 0.00 0.00 0.00 -1.15 -2.52 119.26 118.22 6hbi h ALA 8 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 6hbi h ALA 8 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 6hbi h ALA 8 CO -0.08 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.21 6hbi n GLN 9 N -2.63 0.09 -2.71 0.00 1.13 -0.53 -4.37 117.38 108.36 6hbi n GLN 9 Ca 0.00 0.25 -0.43 0.00 -1.94 0.00 0.00 57.00 54.89 6hbi n GLN 9 Cb 0.20 -1.65 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 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 -3.65 4.19 0.88 1.08 1.43 -0.95 -4.96 118.68 116.70 6hbi s LEU 10 Ca 0.08 -2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 50.98 6hbi s LEU 10 Cb 0.11 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.95 6hbi s LEU 10 CO 0.39 -1.21 1.18 0.42 0.23 0.00 0.00 176.35 177.37 6hbi s THR 11 N 3.73 1.98 0.25 5.49 -4.23 -1.26 -4.75 115.64 116.86 6hbi s THR 11 Ca 0.44 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 6hbi s THR 11 Cb -0.01 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 71.20 6hbi s THR 11 CO -0.04 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.72 6hbi h ALA 12 N -1.37 0.96 0.00 3.99 0.00 -1.97 -0.52 119.26 120.36 6hbi h ALA 12 Ca -0.48 0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 6hbi h ALA 12 Cb 1.32 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 6hbi h ALA 12 CO 0.60 -0.36 -0.86 -0.44 0.00 0.00 0.00 179.25 178.19 6hbi h ASP 13 N 0.25 0.18 -0.39 0.00 3.32 -1.99 -1.94 116.42 115.85 6hbi h ASP 13 Ca 0.43 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 6hbi h ASP 13 Cb 0.75 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 6hbi h ASP 13 CO -0.54 0.95 0.12 0.58 -1.72 0.00 0.00 179.24 178.63 6hbi h VAL 14 N 0.08 1.21 -0.78 -1.35 2.07 -1.65 -0.49 116.25 115.34 6hbi h VAL 14 Ca -0.03 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.81 6hbi h VAL 14 Cb 1.48 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 6hbi h VAL 14 CO 0.13 0.25 0.51 0.11 0.02 0.00 0.00 177.57 178.58 6hbi h LYS 15 N 0.49 0.99 -0.39 1.57 1.57 -1.05 -0.82 116.57 118.92 6hbi h LYS 15 Ca 0.13 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 6hbi h LYS 15 Cb 0.26 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 6hbi h LYS 15 CO -0.00 0.65 0.09 -0.22 -0.57 0.00 0.00 179.45 179.40 6hbi h LYS 16 N 1.02 0.62 -0.24 3.15 1.63 -1.09 -1.73 116.57 119.94 6hbi h LYS 16 Ca 0.30 -0.15 -0.08 0.00 -0.85 0.00 0.00 60.65 59.87 6hbi h LYS 16 Cb -0.06 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 6hbi h LYS 16 CO -0.09 0.66 -0.18 -0.44 -3.45 0.00 0.00 179.45 175.95 6hbi h ASP 17 N 0.48 0.41 -0.25 4.20 3.32 -0.72 -0.77 116.42 123.09 6hbi h ASP 17 Ca 0.12 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 6hbi h ASP 17 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 6hbi h ASP 17 CO 0.00 0.61 0.07 -0.07 -1.72 0.00 0.00 179.24 178.14 6hbi h LEU 18 N 0.38 0.37 -0.42 1.55 3.38 -1.00 -1.82 115.31 117.75 6hbi h LEU 18 Ca 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 6hbi h LEU 18 Cb 0.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 6hbi h LEU 18 CO 0.04 0.49 0.07 0.03 0.09 0.00 0.00 178.44 179.15 6hbi h ARG 19 N 0.24 0.69 -0.64 1.13 3.08 -0.95 -0.54 114.38 117.39 6hbi h ARG 19 Ca 0.08 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 6hbi h ARG 19 Cb 0.25 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 6hbi h ARG 19 CO -0.00 0.73 0.13 -0.44 -1.07 0.00 0.00 179.97 179.32 6hbi h ASP 20 N 0.55 0.96 0.26 7.04 3.32 -1.10 -0.52 116.42 126.92 6hbi h ASP 20 Ca 0.13 -0.20 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 6hbi h ASP 20 Cb 0.37 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.67 6hbi h ASP 20 CO 0.01 0.94 -0.87 0.77 -1.72 0.00 0.00 179.24 178.36 6hbi h SER 21 N 0.96 0.57 -0.28 6.45 4.64 -1.24 -3.19 113.55 121.47 6hbi h SER 21 Ca 0.20 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 6hbi h SER 21 Cb 0.37 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 6hbi h SER 21 CO 0.00 1.21 0.03 -0.25 -0.87 0.00 0.00 176.83 176.96 6hbi h TRP 22 N 0.28 0.58 -0.99 4.77 2.91 -0.73 -0.70 115.95 122.08 6hbi h TRP 22 Ca -0.07 -0.05 0.21 0.00 1.13 0.00 0.00 58.89 60.11 6hbi h TRP 22 Cb 1.49 -0.17 -0.11 0.00 -0.51 0.00 0.00 29.16 29.86 6hbi h TRP 22 CO 0.06 0.55 0.59 -0.22 -1.03 0.00 0.00 178.44 178.38 6hbi h LYS 23 N 0.55 0.67 0.00 2.65 3.64 -1.09 0.21 116.57 123.20 6hbi h LYS 23 Ca 0.12 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 6hbi h LYS 23 Cb 0.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 6hbi h LYS 23 CO 0.01 0.44 -0.52 0.28 -2.27 0.00 0.00 179.45 177.39 6hbi h VAL 24 N 0.69 0.56 -0.98 2.00 2.07 -1.40 -3.31 116.25 115.87 6hbi h VAL 24 Ca 0.59 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.58 6hbi h VAL 24 Cb 0.99 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 6hbi h VAL 24 CO -0.42 0.19 0.65 0.40 0.02 0.00 0.00 177.57 178.41 6hbi h ILE 25 N -1.00 1.23 0.00 4.57 1.08 -1.04 -1.15 117.51 121.21 6hbi h ILE 25 Ca -0.10 -0.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 6hbi h ILE 25 Cb 0.70 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 6hbi h ILE 25 CO -0.06 0.24 0.00 0.61 -0.69 0.00 0.00 178.15 178.25 6hbi n GLY 26 N -1.37 -1.14 0.22 5.37 0.00 0.74 -3.06 105.19 105.95 6hbi n GLY 26 Ca 0.12 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.15 6hbi n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 6hbi h SER 27 N 0.00 0.00 -3.08 1.61 4.64 -1.29 -3.33 113.55 112.10 6hbi h SER 27 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 6hbi h SER 27 Cb 0.31 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.00 6hbi h SER 27 CO 0.00 0.23 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.80 6hbi s ASP 28 N -6.24 3.26 0.19 4.97 2.15 -1.17 -4.98 116.67 114.85 6hbi s ASP 28 Ca -0.00 -2.84 -0.09 0.00 0.43 0.00 0.00 52.55 50.04 6hbi s ASP 28 Cb 0.11 -0.91 0.10 0.00 -0.30 0.00 0.00 42.92 41.92 6hbi s ASP 28 CO 0.64 -0.23 1.70 0.11 -0.17 0.00 0.00 175.17 177.22 6hbi h LYS 29 N 6.35 1.08 -0.02 4.34 1.57 -1.76 -0.98 116.57 127.15 6hbi h LYS 29 Ca 0.08 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 6hbi h LYS 29 Cb 0.90 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 6hbi h LYS 29 CO 0.46 0.97 -0.02 -0.22 -0.57 0.00 0.00 179.45 180.08 6hbi h LYS 30 N 1.01 0.05 -0.04 3.15 3.64 -1.93 -0.90 116.57 121.55 6hbi h LYS 30 Ca 0.21 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 6hbi h LYS 30 Cb 0.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 6hbi h LYS 30 CO 0.00 0.49 0.01 0.78 -2.27 0.00 0.00 179.45 178.46 6hbi h GLY 31 N -0.39 0.06 1.70 5.01 0.00 -1.97 -1.98 103.07 105.51 6hbi h GLY 31 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 6hbi h GLY 31 CO 0.00 0.03 -0.75 3.43 0.00 0.00 0.00 176.54 179.26 6hbi h ASN 32 N -0.14 0.35 -0.34 0.19 -0.26 -1.25 -1.99 115.58 112.13 6hbi h ASN 32 Ca 0.01 -0.24 -0.03 0.00 -0.56 0.00 0.00 56.30 55.49 6hbi h ASN 32 Cb 0.21 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 6hbi h ASN 32 CO -0.00 0.97 0.10 1.23 -1.06 0.00 0.00 177.43 178.67 6hbi h GLY 33 N 1.52 0.57 1.03 2.83 0.00 -1.14 -0.24 103.07 107.63 6hbi h GLY 33 Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 6hbi h GLY 33 CO 0.12 0.32 0.18 -2.08 0.00 0.00 0.00 176.54 175.08 6hbi h VAL 34 N 0.39 1.25 -0.80 4.60 2.07 -1.33 -1.12 116.25 121.32 6hbi h VAL 34 Ca 0.11 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 6hbi h VAL 34 Cb 0.26 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 6hbi h VAL 34 CO -0.00 0.34 0.39 0.00 0.02 0.00 0.00 177.57 178.32 6hbi h ALA 35 N 1.07 1.03 -0.29 1.67 0.00 -1.17 -0.18 119.26 121.39 6hbi h ALA 35 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 6hbi h ALA 35 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 6hbi h ALA 35 CO -0.00 0.58 0.17 1.25 0.00 0.00 0.00 179.25 181.25 6hbi h LEU 36 N 1.12 0.34 -0.47 0.00 5.85 -0.49 -1.42 115.31 120.25 6hbi h LEU 36 Ca 0.27 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 6hbi h LEU 36 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 6hbi h LEU 36 CO -0.04 0.29 -0.09 0.24 -0.34 0.00 0.00 178.44 178.51 6hbi h MET 37 N 0.37 0.89 -0.33 1.25 2.86 -0.88 -1.98 114.93 117.11 6hbi h MET 37 Ca 0.10 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 6hbi h MET 37 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 6hbi h MET 37 CO -0.02 0.97 -0.18 1.79 1.06 0.00 0.00 176.91 180.53 6hbi h THR 38 N 0.74 1.26 -0.19 2.22 1.35 -0.84 -1.80 112.91 115.64 6hbi h THR 38 Ca 0.12 -1.20 -0.11 0.00 -0.55 0.00 0.00 66.41 64.68 6hbi h THR 38 Cb 0.63 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 6hbi h THR 38 CO 0.04 0.39 -0.35 0.74 -0.25 0.00 0.00 175.52 176.09 6hbi h THR 39 N 0.54 1.29 -0.02 6.82 2.02 -1.13 0.44 112.91 122.87 6hbi h THR 39 Ca 0.09 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 6hbi h THR 39 Cb 0.62 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 6hbi h THR 39 CO 0.04 0.45 0.01 0.25 0.37 0.00 0.00 175.52 176.64 6hbi h LEU 40 N 0.35 0.03 -1.30 2.58 5.85 -1.00 -0.25 115.31 121.56 6hbi h LEU 40 Ca 0.04 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 6hbi h LEU 40 Cb 0.79 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 6hbi h LEU 40 CO 0.06 0.21 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.76 6hbi h PHE 41 N -0.15 0.00 -0.00 1.25 0.04 -1.09 0.19 116.94 117.18 6hbi h PHE 41 Ca 0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 6hbi h PHE 41 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 6hbi h PHE 41 CO -0.01 0.35 -0.11 0.00 -0.60 0.00 0.00 178.31 177.94 6hbi h ALA 42 N 1.65 0.02 0.02 2.45 0.00 -0.79 -3.12 119.26 119.48 6hbi h ALA 42 Ca -0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 6hbi h ALA 42 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 6hbi h ALA 42 CO 0.05 -0.03 -0.93 -0.44 0.00 0.00 0.00 179.25 177.90 6hbi h ASP 43 N -0.65 0.20 -2.21 0.00 3.32 -0.95 -3.37 116.42 112.76 6hbi h ASP 43 Ca -0.01 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 56.28 6hbi h ASP 43 Cb 0.87 -0.06 -0.41 0.00 0.22 0.00 0.00 39.33 39.95 6hbi h ASP 43 CO 0.02 1.02 -0.80 0.59 -1.72 0.00 0.00 179.24 178.35 6hbi n ASN 44 N -3.58 2.17 -0.33 6.45 4.13 0.64 -4.95 115.26 119.79 6hbi n ASN 44 Ca -0.03 -3.09 0.21 0.00 1.68 0.00 0.00 54.58 53.34 6hbi n ASN 44 Cb 0.85 -0.66 0.43 0.00 -1.54 0.00 0.00 39.78 38.86 6hbi n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 6hbi h GLN 45 N 4.30 0.40 -0.39 3.52 1.08 -1.72 -1.46 115.11 120.84 6hbi h GLN 45 Ca 0.15 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.44 6hbi h GLN 45 Cb 0.76 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 6hbi h GLN 45 CO 0.67 0.26 0.32 1.05 -0.95 0.00 0.00 178.83 180.18 6hbi h GLU 46 N 0.41 0.00 0.00 1.46 9.09 -1.92 -1.98 114.58 121.64 6hbi h GLU 46 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 6hbi h GLU 46 Cb 1.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 6hbi h GLU 46 CO -0.56 0.00 0.00 0.25 0.05 0.00 0.00 179.01 178.75 6hbi n THR 47 N -4.16 0.73 0.24 -1.06 -2.24 -0.55 -3.18 114.28 104.07 6hbi n THR 47 Ca 0.06 0.10 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 6hbi n THR 47 Cb 0.50 -0.93 0.69 0.00 -2.10 0.00 0.00 70.33 68.49 6hbi n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 6hbi h ILE 48 N 0.00 0.89 -0.47 2.28 2.04 -1.55 -1.87 117.51 118.83 6hbi h ILE 48 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 6hbi h ILE 48 Cb 0.43 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 6hbi h ILE 48 CO 0.00 0.00 0.32 1.23 0.00 0.00 0.00 178.15 179.70 6hbi h GLY 49 N 0.00 0.36 2.00 5.37 0.00 -1.78 0.13 103.07 109.15 6hbi h GLY 49 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 6hbi h GLY 49 CO -0.00 0.07 -0.24 -0.97 0.00 0.00 0.00 176.54 175.40 6hbi h TYR 50 N 0.27 0.00 -0.82 5.60 0.05 -1.59 -3.20 116.97 117.27 6hbi h TYR 50 Ca 0.22 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.49 6hbi h TYR 50 Cb 0.51 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.97 6hbi h TYR 50 CO -0.00 0.24 0.33 1.19 -1.05 0.00 0.00 178.16 178.86 6hbi n PHE 51 N -3.36 2.65 -0.23 4.88 3.72 0.43 -4.67 117.46 120.88 6hbi n PHE 51 Ca 0.00 -2.31 0.14 0.00 -0.05 0.00 0.00 57.45 55.23 6hbi n PHE 51 Cb 0.46 -0.94 0.43 0.00 -0.94 0.00 0.00 39.48 38.49 6hbi n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 6hbi h LYS 52 N 1.58 0.56 0.00 -1.08 1.57 -1.55 -0.99 116.57 116.66 6hbi h LYS 52 Ca 0.49 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 6hbi h LYS 52 Cb 1.61 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 6hbi h LYS 52 CO 1.08 0.37 -0.22 -0.09 -0.57 0.00 0.00 179.45 180.02 6hbi h ARG 53 N 0.58 0.00 0.00 3.15 2.43 -1.91 -2.69 114.38 115.94 6hbi h ARG 53 Ca 0.43 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 6hbi h ARG 53 Cb 0.80 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 6hbi h ARG 53 CO -0.18 0.22 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.38 6hbi h LEU 54 N 0.00 0.00 0.00 3.80 4.07 -1.55 -3.49 115.31 118.14 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 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 6hbi h LEU 54 CO 0.03 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 6hbi n GLY 55 N 0.06 0.38 3.57 0.83 0.00 -1.02 -4.56 105.19 104.44 6hbi n GLY 55 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 6hbi n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 6hbi s ASP 56 N -4.00 6.24 0.54 1.61 -1.08 -1.26 -4.81 116.67 113.91 6hbi s ASP 56 Ca 0.00 -1.61 0.27 0.00 -0.52 0.00 0.00 52.55 50.69 6hbi s ASP 56 Cb 0.00 -2.57 1.43 0.00 -1.46 0.00 0.00 42.92 40.32 6hbi s ASP 56 CO 0.00 -1.76 1.96 0.58 0.52 0.00 0.00 175.17 176.47 6hbi h VAL 57 N 6.49 0.66 0.00 1.11 2.07 -1.95 -2.54 116.25 122.09 6hbi h VAL 57 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 6hbi h VAL 57 Cb 0.97 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 6hbi h VAL 57 CO 1.38 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.43 6hbi n SER 58 N -4.30 0.62 0.25 0.57 3.41 -1.26 -1.68 113.62 111.23 6hbi n SER 58 Ca 0.12 0.69 0.16 0.00 -0.26 0.00 0.00 58.87 59.58 6hbi n SER 58 Cb 0.71 -0.80 0.66 0.00 -0.26 0.00 0.00 64.21 64.51 6hbi n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 6hbi h GLN 59 N 0.00 0.00 0.00 4.33 1.08 -1.87 -3.48 115.11 115.18 6hbi h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 6hbi h GLN 59 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 6hbi h GLN 59 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 6hbi n GLY 60 N 0.01 3.69 0.41 3.46 0.00 -0.67 -2.29 105.19 109.80 6hbi n GLY 60 Ca 0.01 -0.05 0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 1.61 1.85 -1.92 -0.49 114.93 115.98 6hbi h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 6hbi h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 6hbi h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 6hbi n ALA 62 N -2.63 1.99 -2.57 0.39 0.00 -0.97 -4.55 120.51 112.16 6hbi n ALA 62 Ca 0.13 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 6hbi n ALA 62 Cb 0.74 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.98 6.41 0.31 0.00 3.84 -0.19 -4.94 114.94 116.38 6hbi s ASN 63 Ca 0.08 0.17 -0.00 0.00 0.21 0.00 0.00 52.86 53.32 6hbi s ASN 63 Cb 0.12 -2.31 0.50 0.00 -0.55 0.00 0.00 41.25 39.00 6hbi s ASN 63 CO 0.47 -0.54 1.93 0.44 -2.79 0.00 0.00 177.10 176.61 6hbi h ASP 64 N 8.40 0.80 -0.22 -4.21 3.32 -1.86 -1.28 116.42 121.38 6hbi h ASP 64 Ca -0.27 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.55 6hbi h ASP 64 Cb 1.12 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.47 6hbi h ASP 64 CO 0.81 0.66 -0.50 0.11 -1.72 0.00 0.00 179.24 178.60 6hbi h LYS 65 N 0.90 0.72 -0.39 3.56 1.57 -1.92 -0.18 116.57 120.82 6hbi h LYS 65 Ca 0.23 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 6hbi h LYS 65 Cb 0.05 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 6hbi h LYS 65 CO -0.03 1.11 0.12 1.25 -0.57 0.00 0.00 179.45 181.33 6hbi h LEU 66 N 0.44 0.57 -0.80 2.94 5.85 -1.78 -1.27 115.31 121.26 6hbi h LEU 66 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 6hbi h LEU 66 Cb 1.12 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 6hbi h LEU 66 CO 0.11 0.63 0.47 -0.09 -0.34 0.00 0.00 178.44 179.22 6hbi h ARG 67 N 0.49 1.10 -0.28 1.25 2.43 -1.11 0.09 114.38 118.35 6hbi h ARG 67 Ca 0.13 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 6hbi h ARG 67 Cb 0.26 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 6hbi h ARG 67 CO -0.00 0.79 0.17 0.78 -1.51 0.00 0.00 179.97 180.19 6hbi h GLY 68 N 1.11 0.41 0.99 2.80 0.00 -0.82 -2.05 103.07 105.50 6hbi h GLY 68 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.45 6hbi h GLY 68 CO -0.05 0.16 0.09 0.84 0.00 0.00 0.00 176.54 177.58 6hbi h HIS 69 N 0.36 0.18 -0.77 5.60 -0.00 -0.80 -1.86 115.15 117.86 6hbi h HIS 69 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 6hbi h HIS 69 Cb 0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.31 6hbi h HIS 69 CO -0.04 0.12 0.49 0.77 -0.00 0.00 0.00 177.93 179.27 6hbi h SER 70 N 0.18 0.80 -0.15 3.26 0.02 -0.84 0.57 113.55 117.39 6hbi h SER 70 Ca 0.05 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 6hbi h SER 70 Cb -0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 6hbi h SER 70 CO -0.01 0.55 0.00 0.40 -1.14 0.00 0.00 176.83 176.63 6hbi h ILE 71 N 0.94 1.25 -0.91 3.27 2.04 -1.23 -2.51 117.51 120.36 6hbi h ILE 71 Ca 0.31 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 6hbi h ILE 71 Cb 0.03 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 6hbi h ILE 71 CO -0.12 0.24 0.54 0.58 0.00 0.00 0.00 178.15 179.40 6hbi h VAL 72 N 0.01 1.25 -0.83 1.67 2.07 -0.93 -1.97 116.25 117.52 6hbi h VAL 72 Ca 0.04 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.06 6hbi h VAL 72 Cb 0.37 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 6hbi h VAL 72 CO 0.01 0.26 0.52 0.25 0.02 0.00 0.00 177.57 178.63 6hbi h LEU 73 N 1.25 0.83 -1.39 2.57 6.46 -0.75 -1.64 115.31 122.64 6hbi h LEU 73 Ca 0.32 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 6hbi h LEU 73 Cb -0.05 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 6hbi h LEU 73 CO -0.06 0.55 -0.23 0.24 -0.62 0.00 0.00 178.44 178.32 6hbi h MET 74 N 0.97 0.00 0.00 1.25 2.86 -0.91 -2.07 114.93 117.03 6hbi h MET 74 Ca 0.35 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 6hbi h MET 74 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 6hbi h MET 74 CO -0.15 0.23 -0.46 1.88 1.06 0.00 0.00 176.91 179.47 6hbi h TYR 75 N 0.00 0.00 -0.50 -0.22 0.05 -1.08 -1.36 116.97 113.85 6hbi h TYR 75 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 6hbi h TYR 75 Cb 0.61 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 6hbi h TYR 75 CO 0.00 0.46 0.12 0.00 -1.05 0.00 0.00 178.16 177.69 6hbi h ALA 76 N 1.54 0.67 -0.63 3.88 0.00 -1.09 -0.66 119.26 122.97 6hbi h ALA 76 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 6hbi h ALA 76 Cb 1.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 6hbi h ALA 76 CO 0.06 0.36 0.21 -0.07 0.00 0.00 0.00 179.25 179.81 6hbi h LEU 77 N 0.70 0.90 -0.56 0.00 4.07 -1.27 -1.12 115.31 118.02 6hbi h LEU 77 Ca 0.16 -0.20 0.10 0.00 0.08 0.00 0.00 57.88 58.02 6hbi h LEU 77 Cb 0.33 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.76 6hbi h LEU 77 CO 0.00 0.86 0.15 -0.61 -1.08 0.00 0.00 178.44 177.76 6hbi h GLN 78 N 0.89 0.29 -0.35 1.13 5.75 -0.99 -1.01 115.11 120.82 6hbi h GLN 78 Ca 0.20 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 6hbi h GLN 78 Cb 0.27 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 6hbi h GLN 78 CO -0.01 0.19 0.23 -0.97 -2.65 0.00 0.00 178.83 175.62 6hbi h ASN 79 N 0.30 0.41 -0.63 -0.69 -0.73 -0.84 -0.77 115.58 112.62 6hbi h ASN 79 Ca 0.29 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.42 6hbi h ASN 79 Cb 0.39 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 6hbi h ASN 79 CO -0.34 0.30 0.32 -0.26 -0.37 0.00 0.00 177.43 177.09 6hbi h PHE 80 N 0.47 0.89 -0.73 0.67 0.04 -0.13 -1.97 116.94 116.18 6hbi h PHE 80 Ca 0.13 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 6hbi h PHE 80 Cb -0.04 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 6hbi h PHE 80 CO -0.05 0.65 0.37 0.82 -0.60 0.00 0.00 178.31 179.51 6hbi h ILE 81 N 0.86 1.23 0.00 -0.55 1.08 -1.02 -2.04 117.51 117.07 6hbi h ILE 81 Ca 0.22 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 6hbi h ILE 81 Cb 0.08 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 6hbi h ILE 81 CO -0.03 0.27 -0.04 0.44 -0.69 0.00 0.00 178.15 178.09 6hbi h ASP 82 N 1.02 0.00 -0.26 1.72 3.32 -0.63 -2.83 116.42 118.76 6hbi h ASP 82 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 6hbi h ASP 82 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 6hbi h ASP 82 CO -0.04 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 6hbi n GLN 83 N -3.21 2.01 0.29 3.56 1.13 -0.78 -4.39 117.38 116.00 6hbi n GLN 83 Ca -0.01 -1.53 0.16 0.00 -1.94 0.00 0.00 57.00 53.69 6hbi n GLN 83 Cb 0.26 -1.43 0.86 0.00 0.11 0.00 0.00 30.24 30.04 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 3.01 0.00 -0.76 1.08 3.38 -1.43 -2.45 115.31 118.13 6hbi h LEU 84 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 6hbi h LEU 84 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 6hbi h LEU 84 CO 0.00 0.06 -0.58 0.44 0.09 0.00 0.00 178.44 178.45 6hbi h ASP 85 N 0.00 0.15 -3.69 -0.43 3.32 -1.84 -3.40 116.42 110.53 6hbi h ASP 85 Ca -0.00 -0.08 -0.65 0.00 0.02 0.00 0.00 57.03 56.32 6hbi h ASP 85 Cb 0.26 -0.04 -0.39 0.00 0.22 0.00 0.00 39.33 39.38 6hbi h ASP 85 CO 0.01 0.69 -0.76 0.21 -1.72 0.00 0.00 179.24 177.68 6hbi s ASN 86 N -6.88 4.49 0.37 6.45 3.84 -0.92 -5.00 114.94 117.28 6hbi s ASN 86 Ca -0.03 -1.76 0.13 0.00 0.21 0.00 0.00 52.86 51.41 6hbi s ASN 86 Cb 0.12 -1.48 0.95 0.00 -0.55 0.00 0.00 41.25 40.29 6hbi s ASN 86 CO 0.78 -0.31 1.80 -0.65 -2.79 0.00 0.00 177.10 175.93 6hbi h PRO 87 N 7.75 0.54 -0.67 0.43 0.11 -1.79 -1.03 132.00 137.33 6hbi h PRO 87 Ca -0.11 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 6hbi h PRO 87 Cb 1.03 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 6hbi h PRO 87 CO 0.48 0.35 0.11 -0.44 -0.21 0.00 0.00 178.00 178.30 6hbi h ASP 88 N 0.55 1.07 -0.18 -2.05 3.32 -1.94 -1.23 116.42 115.97 6hbi h ASP 88 Ca 0.55 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 6hbi h ASP 88 Cb 1.15 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.42 6hbi h ASP 88 CO -0.29 1.06 -0.59 0.44 -1.72 0.00 0.00 179.24 178.14 6hbi h ASP 89 N 1.04 0.83 -0.32 6.45 3.32 -1.70 -2.29 116.42 123.75 6hbi h ASP 89 Ca 0.21 -0.60 0.05 0.00 0.02 0.00 0.00 57.03 56.71 6hbi h ASP 89 Cb 0.44 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 6hbi h ASP 89 CO 0.01 1.28 0.05 0.25 -1.72 0.00 0.00 179.24 179.12 6hbi h LEU 90 N 0.42 -0.01 -0.22 1.55 5.85 -1.07 -1.48 115.31 120.35 6hbi h LEU 90 Ca -0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 6hbi h LEU 90 Cb 1.21 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 6hbi h LEU 90 CO 0.13 0.03 0.10 0.58 -0.34 0.00 0.00 178.44 178.93 6hbi h VAL 91 N 0.16 1.15 -0.12 1.05 2.07 -1.21 0.10 116.25 119.47 6hbi h VAL 91 Ca 0.15 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 6hbi h VAL 91 Cb 0.17 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 6hbi h VAL 91 CO -0.21 0.15 -0.32 0.00 0.02 0.00 0.00 177.57 177.21 6hbi h VAL 93 N 0.20 1.29 -0.55 0.00 2.07 -1.09 -1.35 116.25 116.81 6hbi h VAL 93 Ca 0.03 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 6hbi h VAL 93 Cb 0.67 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 6hbi h VAL 93 CO 0.05 0.48 0.22 0.58 0.02 0.00 0.00 177.57 178.92 6hbi h VAL 94 N 0.57 1.22 -0.56 2.57 2.07 0.02 -1.14 116.25 121.00 6hbi h VAL 94 Ca 0.05 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 6hbi h VAL 94 Cb 0.89 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 6hbi h VAL 94 CO 0.08 0.27 0.02 -0.33 0.02 0.00 0.00 177.57 177.62 6hbi h GLU 95 N 0.76 0.94 -0.29 1.57 5.08 -1.01 -0.36 114.58 121.27 6hbi h GLU 95 Ca 0.18 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 6hbi h GLU 95 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 6hbi h GLU 95 CO -0.01 0.92 0.14 -0.22 -1.00 0.00 0.00 179.01 178.83 6hbi h LYS 96 N 0.87 0.42 -0.94 2.33 1.63 -1.02 -2.77 116.57 117.10 6hbi h LYS 96 Ca 0.17 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.96 6hbi h LYS 96 Cb 0.48 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.98 6hbi h LYS 96 CO 0.02 0.40 0.61 0.35 -3.45 0.00 0.00 179.45 177.38 6hbi h PHE 97 N 0.34 1.11 -0.19 1.91 3.57 -0.91 -2.71 116.94 120.06 6hbi h PHE 97 Ca 0.10 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 6hbi h PHE 97 Cb 0.12 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 6hbi h PHE 97 CO -0.02 0.60 -0.10 0.00 -2.23 0.00 0.00 178.31 176.56 6hbi h ALA 98 N 1.48 1.50 -0.39 2.41 0.00 -0.78 -3.33 119.26 120.15 6hbi h ALA 98 Ca 0.40 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.18 6hbi h ALA 98 Cb 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 6hbi h ALA 98 CO -0.14 0.36 -0.42 0.28 0.00 0.00 0.00 179.25 179.32 6hbi h VAL 99 N 0.28 0.12 0.00 0.00 2.07 -1.36 0.89 116.25 118.25 6hbi h VAL 99 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 6hbi h VAL 99 Cb 0.35 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 6hbi h VAL 99 CO 0.02 0.00 -0.26 0.78 0.02 0.00 0.00 177.57 178.13 6hbi h ASN 100 N -0.33 0.00 0.22 0.57 2.35 -1.77 -0.84 115.58 115.77 6hbi h ASN 100 Ca 0.14 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 6hbi h ASN 100 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 6hbi h ASN 100 CO -0.56 0.26 -0.85 0.45 -1.65 0.00 0.00 177.43 175.08 6hbi h HIS 101 N 0.00 0.67 -0.33 1.19 3.86 -1.07 -2.24 115.15 117.23 6hbi h HIS 101 Ca -0.00 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.84 6hbi h HIS 101 Cb 0.55 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 6hbi h HIS 101 CO 0.00 1.13 0.07 0.82 0.86 0.00 0.00 177.93 180.82 6hbi h ILE 102 N 0.30 1.23 -0.57 2.45 2.04 -0.57 -2.02 117.51 120.37 6hbi h ILE 102 Ca -0.06 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.13 6hbi h ILE 102 Cb 1.46 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 6hbi h ILE 102 CO 0.15 0.26 0.38 0.74 0.00 0.00 0.00 178.15 179.68 6hbi h THR 103 N 0.39 0.88 -0.02 -0.27 2.02 -0.98 -0.29 112.91 114.64 6hbi h THR 103 Ca 0.10 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.16 6hbi h THR 103 Cb 0.31 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 6hbi h THR 103 CO 0.00 0.06 0.00 0.54 0.37 0.00 0.00 175.52 176.50 6hbi n ARG 104 N -4.46 1.35 -3.53 6.66 1.74 -0.80 -4.92 116.66 112.69 6hbi n ARG 104 Ca 0.09 -0.50 -0.20 0.00 -0.77 0.00 0.00 57.85 56.47 6hbi n ARG 104 Cb 0.38 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.38 -6.60 -3.36 5.56 5.02 -0.12 -4.96 118.16 113.33 6hbi n LYS 105 Ca 0.21 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.88 6hbi n LYS 105 Cb 0.23 -5.75 -0.09 0.00 -0.02 0.00 0.00 35.03 29.40 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 -3.40 5.13 0.86 -0.18 -1.09 -0.96 -5.06 121.20 116.49 6hbi s ILE 106 Ca 0.15 -0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.39 6hbi s ILE 106 Cb -0.07 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 6hbi s ILE 106 CO 0.75 -0.22 1.19 -0.94 -1.23 0.00 0.00 174.94 174.49 6hbi s SER 107 N 1.76 4.07 0.34 3.58 1.04 -1.26 -4.58 113.70 118.65 6hbi s SER 107 Ca 0.13 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.32 6hbi s SER 107 Cb -0.17 -1.18 0.59 0.00 0.10 0.00 0.00 66.02 65.37 6hbi s SER 107 CO 0.12 -2.18 1.95 0.00 0.98 0.00 0.00 173.24 174.12 6hbi h ALA 108 N -1.24 1.45 -0.18 5.32 0.00 -1.88 -0.83 119.26 121.90 6hbi h ALA 108 Ca -0.47 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 6hbi h ALA 108 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 6hbi h ALA 108 CO 0.61 0.44 -0.46 0.00 0.00 0.00 0.00 179.25 179.84 6hbi h ALA 109 N 1.54 0.88 -0.26 0.00 0.00 -1.93 -2.18 119.26 117.31 6hbi h ALA 109 Ca 0.19 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 6hbi h ALA 109 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 6hbi h ALA 109 CO -0.03 0.65 -0.61 1.49 0.00 0.00 0.00 179.25 180.76 6hbi h GLU 110 N 0.36 0.86 -0.70 0.00 4.57 -1.81 -3.14 114.58 114.73 6hbi h GLU 110 Ca 0.02 -0.59 -0.04 0.00 -1.18 0.00 0.00 59.36 57.58 6hbi h GLU 110 Cb 0.94 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 6hbi h GLU 110 CO 0.08 1.22 0.28 0.35 -1.18 0.00 0.00 179.01 179.76 6hbi h PHE 111 N 0.64 1.04 0.00 0.92 3.57 -1.14 -2.46 116.94 119.50 6hbi h PHE 111 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 6hbi h PHE 111 Cb 1.23 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.65 6hbi h PHE 111 CO 0.08 0.79 0.00 0.41 -2.23 0.00 0.00 178.31 177.35 6hbi n GLY 112 N -0.97 -0.79 0.29 2.40 0.00 -0.82 -1.84 105.19 103.45 6hbi n GLY 112 Ca 0.06 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.37 6hbi n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 6hbi h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.51 -2.36 116.57 115.88 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 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 6hbi h LYS 113 CO 0.00 0.04 0.00 0.97 -0.57 0.00 0.00 179.45 179.89 6hbi h ILE 114 N 0.00 0.00 -0.38 1.86 6.09 -1.58 -3.17 117.51 120.32 6hbi h ILE 114 Ca -0.00 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 63.24 6hbi h ILE 114 Cb 0.25 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 6hbi h ILE 114 CO 0.01 0.00 0.13 0.78 -3.07 0.00 0.00 178.15 175.99 6hbi h ASN 115 N 0.00 0.50 0.26 2.19 -0.26 -1.66 -1.46 115.58 115.14 6hbi h ASN 115 Ca 0.00 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 6hbi h ASN 115 Cb 0.25 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 6hbi h ASN 115 CO 0.00 0.47 -0.12 1.23 -1.06 0.00 0.00 177.43 177.95 6hbi h GLY 116 N 0.73 -0.36 -0.41 2.83 0.00 -1.79 -1.57 103.07 102.50 6hbi h GLY 116 Ca 0.13 0.13 0.20 0.00 0.00 0.00 0.00 47.33 47.79 6hbi h GLY 116 CO -0.01 -0.13 0.09 -2.55 0.00 0.00 0.00 176.54 173.94 6hbi h PRO 117 N -0.71 0.14 -0.06 4.80 0.11 -1.71 -1.21 132.00 133.36 6hbi h PRO 117 Ca -0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 6hbi h PRO 117 Cb 0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 6hbi h PRO 117 CO 0.06 0.09 0.02 0.82 -0.21 0.00 0.00 178.00 178.78 6hbi h ILE 118 N 0.14 1.13 -0.79 4.15 2.04 -1.20 -1.19 117.51 121.78 6hbi h ILE 118 Ca 0.47 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 66.04 6hbi h ILE 118 Cb 0.87 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 6hbi h ILE 118 CO -0.67 0.11 0.45 0.50 0.00 0.00 0.00 178.15 178.53 6hbi h LYS 119 N -0.05 0.74 -0.40 2.37 3.64 -0.92 0.10 116.57 122.05 6hbi h LYS 119 Ca 0.02 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 6hbi h LYS 119 Cb 0.15 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 6hbi h LYS 119 CO -0.00 0.49 -0.26 0.87 -2.27 0.00 0.00 179.45 178.28 6hbi h LYS 120 N 0.76 0.88 -0.43 1.90 1.57 -0.96 -0.24 116.57 120.05 6hbi h LYS 120 Ca 0.38 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 6hbi h LYS 120 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 6hbi h LYS 120 CO -0.24 1.06 -0.19 0.28 -0.57 0.00 0.00 179.45 179.79 6hbi h VAL 121 N 0.69 1.27 -0.30 0.50 2.07 -0.85 -1.59 116.25 118.04 6hbi h VAL 121 Ca 0.08 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.31 6hbi h VAL 121 Cb 0.83 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 6hbi h VAL 121 CO 0.07 0.45 0.15 -0.07 0.02 0.00 0.00 177.57 178.19 6hbi h LEU 122 N 0.74 0.22 -1.15 2.57 4.07 -0.82 -2.60 115.31 118.35 6hbi h LEU 122 Ca 0.11 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 6hbi h LEU 122 Cb 0.72 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 6hbi h LEU 122 CO 0.06 0.17 -0.07 0.00 -1.08 0.00 0.00 178.44 177.52 6hbi h ALA 123 N 1.15 1.30 0.00 1.53 0.00 -0.73 0.37 119.26 122.87 6hbi h ALA 123 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 6hbi h ALA 123 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 6hbi h ALA 123 CO -0.08 0.47 -0.18 0.66 0.00 0.00 0.00 179.25 180.12 6hbi h SER 124 N 0.48 0.00 -0.69 0.00 4.64 -0.92 -2.09 113.55 114.97 6hbi h SER 124 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 6hbi h SER 124 Cb 0.42 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 6hbi h SER 124 CO 0.02 0.18 0.20 0.29 -0.87 0.00 0.00 176.83 176.65 6hbi n LYS 125 N -3.74 4.01 -2.40 4.77 4.76 -0.01 -4.93 118.16 120.62 6hbi n LYS 125 Ca -0.02 -3.04 -0.17 0.00 -2.87 0.00 0.00 58.31 52.21 6hbi n LYS 125 Cb 0.29 -2.22 -0.00 0.00 -1.84 0.00 0.00 35.03 31.25 6hbi n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 6hbi n ASN 126 N 0.07 -5.00 -4.22 4.39 3.02 -0.79 -5.01 115.26 107.72 6hbi n ASN 126 Ca 0.37 -0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.52 6hbi n ASN 126 Cb 1.33 -4.06 -0.14 0.00 -0.61 0.00 0.00 39.78 36.30 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 -2.87 3.11 0.00 3.10 0.08 -0.46 -4.99 117.98 115.95 6hbi s PHE 127 Ca 0.04 -1.53 0.00 0.00 0.12 0.00 0.00 56.93 55.56 6hbi s PHE 127 Cb -0.02 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 6hbi s PHE 127 CO 0.05 -0.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 6hbi n GLY 128 N 4.69 1.28 0.30 4.36 0.00 -1.26 -2.51 105.19 112.04 6hbi n GLY 128 Ca -0.16 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 0.27 -0.82 1.61 5.19 -1.98 0.26 116.42 120.95 6hbi h ASP 129 Ca 0.00 0.13 0.18 0.00 -0.62 0.00 0.00 57.03 56.72 6hbi h ASP 129 Cb 0.00 0.12 -0.11 0.00 0.18 0.00 0.00 39.33 39.52 6hbi h ASP 129 CO 0.00 0.05 0.33 0.50 -3.12 0.00 0.00 179.24 176.99 6hbi h LYS 130 N 0.41 0.40 0.21 3.56 3.64 -1.99 0.32 116.57 123.12 6hbi h LYS 130 Ca 0.48 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.50 6hbi h LYS 130 Cb 0.82 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.58 6hbi h LYS 130 CO -0.47 0.26 -1.54 1.88 -2.27 0.00 0.00 179.45 177.31 6hbi h TYR 131 N 0.41 0.81 -0.90 1.91 -1.99 -1.30 -2.81 116.97 113.10 6hbi h TYR 131 Ca 0.48 -0.59 0.11 0.00 2.00 0.00 0.00 58.73 60.73 6hbi h TYR 131 Cb 0.82 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.45 6hbi h TYR 131 CO -0.17 1.55 0.58 0.00 -0.00 0.00 0.00 178.16 180.12 6hbi h ALA 132 N 0.23 1.67 -0.12 3.88 0.00 -0.83 -1.06 119.26 123.02 6hbi h ALA 132 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 6hbi h ALA 132 Cb 2.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 6hbi h ALA 132 CO 0.23 0.13 -0.54 -0.91 0.00 0.00 0.00 179.25 178.15 6hbi h ASN 133 N 0.85 0.40 -0.31 0.00 -0.26 -0.97 -1.20 115.58 114.10 6hbi h ASN 133 Ca 0.43 -0.21 -0.10 0.00 -0.56 0.00 0.00 56.30 55.85 6hbi h ASN 133 Cb 0.49 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 6hbi h ASN 133 CO -0.19 0.87 -0.21 0.00 -1.06 0.00 0.00 177.43 176.84 6hbi h ALA 134 N 1.14 0.45 -0.18 -0.83 0.00 -0.97 -2.48 119.26 116.39 6hbi h ALA 134 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 6hbi h ALA 134 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 6hbi h ALA 134 CO 0.09 0.40 -0.22 -1.49 0.00 0.00 0.00 179.25 178.02 6hbi h TRP 135 N 0.45 0.35 -0.16 0.00 4.06 -1.15 -1.77 115.95 117.74 6hbi h TRP 135 Ca 0.06 -0.06 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 6hbi h TRP 135 Cb 0.76 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.81 6hbi h TRP 135 CO 0.06 0.53 -0.24 0.00 -3.56 0.00 0.00 178.44 175.24 6hbi h ALA 136 N 1.48 1.31 -0.30 1.49 0.00 -1.03 -1.25 119.26 120.96 6hbi h ALA 136 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 6hbi h ALA 136 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 6hbi h ALA 136 CO 0.04 0.46 -0.28 0.87 0.00 0.00 0.00 179.25 180.35 6hbi h LYS 137 N 0.25 0.60 -0.21 0.00 1.57 -0.87 -1.15 116.57 116.77 6hbi h LYS 137 Ca 0.04 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 6hbi h LYS 137 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 6hbi h LYS 137 CO 0.04 0.81 0.04 1.25 -0.57 0.00 0.00 179.45 181.02 6hbi h LEU 138 N 0.52 0.32 -1.48 2.94 5.85 -1.07 -2.86 115.31 119.53 6hbi h LEU 138 Ca 0.07 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.55 6hbi h LEU 138 Cb 0.74 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 6hbi h LEU 138 CO 0.06 0.49 0.37 0.58 -0.34 0.00 0.00 178.44 179.59 6hbi h VAL 139 N 0.14 1.11 -0.27 1.05 2.07 -1.03 -1.32 116.25 118.00 6hbi h VAL 139 Ca 0.06 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 6hbi h VAL 139 Cb 0.30 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 6hbi h VAL 139 CO 0.00 0.13 0.17 0.00 0.02 0.00 0.00 177.57 177.89 6hbi h ALA 140 N 1.67 1.78 -0.42 1.67 0.00 -1.02 0.12 119.26 123.05 6hbi h ALA 140 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 6hbi h ALA 140 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 6hbi h ALA 140 CO -0.05 0.19 -0.05 0.28 0.00 0.00 0.00 179.25 179.62 6hbi h VAL 141 N 0.37 1.24 -0.10 0.00 2.07 -1.02 -1.43 116.25 117.38 6hbi h VAL 141 Ca 0.10 -1.04 -0.22 0.00 0.82 0.00 0.00 66.70 66.36 6hbi h VAL 141 Cb -0.02 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 6hbi h VAL 141 CO -0.02 0.36 -0.78 0.58 0.02 0.00 0.00 177.57 177.72 6hbi h VAL 142 N 0.66 1.30 -0.96 2.57 2.07 -1.22 -3.17 116.25 117.51 6hbi h VAL 142 Ca 0.12 -2.02 0.10 0.00 0.82 0.00 0.00 66.70 65.73 6hbi h VAL 142 Cb 0.49 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.33 6hbi h VAL 142 CO 0.03 0.63 0.60 1.56 0.02 0.00 0.00 177.57 180.40 6hbi h GLN 143 N 0.39 0.97 0.00 1.57 4.20 -0.68 -0.06 115.11 121.50 6hbi h GLN 143 Ca -0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 6hbi h GLN 143 Cb 1.43 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 6hbi h GLN 143 CO 0.16 0.64 -0.02 0.00 -0.67 0.00 0.00 178.83 178.95 6hbi h ALA 144 N 1.49 1.05 -0.10 3.87 0.00 -1.24 -2.05 119.26 122.29 6hbi h ALA 144 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 6hbi h ALA 144 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 6hbi h ALA 144 CO -0.23 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.04 6hbi n ALA 145 N -2.12 2.51 1.08 0.00 0.00 -0.04 -4.30 120.51 117.64 6hbi n ALA 145 Ca -0.02 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 52.94 6hbi n ALA 145 Cb 0.18 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 18.78 6hbi n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78