#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hac n HIS 2 N 0.00 0.00 -0.22 6.34 -0.00 -1.26 -4.56 115.22 115.52 1hac n HIS 2 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1hac n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1hac n HIS 2 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1hac n LEU 3 N 0.00 -2.21 -4.78 0.27 7.99 -1.26 -4.98 117.00 112.04 1hac n LEU 3 Ca 0.00 0.16 -0.30 0.00 -0.01 0.00 0.00 56.01 55.86 1hac n LEU 3 Cb 0.00 0.29 0.20 0.00 -0.11 0.00 0.00 43.42 43.80 1hac n LEU 3 CO 0.00 -0.04 0.76 0.42 -1.51 0.00 0.00 177.39 177.01 1hac s THR 4 N -0.77 1.83 -0.27 -5.08 -4.23 -1.26 -4.65 115.64 101.21 1hac s THR 4 Ca 0.00 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1hac s THR 4 Cb 0.00 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.26 1hac s THR 4 CO 0.00 0.00 1.52 -0.65 -0.54 0.00 0.00 174.62 174.95 1hac h PRO 5 N -2.02 0.00 0.00 3.99 0.11 -1.96 1.04 132.00 133.17 1hac h PRO 5 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1hac h PRO 5 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1hac h PRO 5 CO 0.39 0.29 -0.23 1.05 -0.21 0.00 0.00 178.00 179.29 1hac h GLU 6 N 0.00 0.00 0.01 1.05 9.09 -1.99 -0.88 114.58 121.86 1hac h GLU 6 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hac h GLU 6 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1hac h GLU 6 CO 0.04 0.23 -0.01 0.93 0.05 0.00 0.00 179.01 180.25 1hac h GLU 7 N 0.00 -0.02 -1.43 1.06 5.08 -1.71 -2.62 114.58 114.94 1hac h GLU 7 Ca -0.00 0.00 0.48 0.00 -1.00 0.00 0.00 59.36 58.84 1hac h GLU 7 Cb 1.02 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.15 1hac h GLU 7 CO 0.03 0.53 0.94 1.63 -1.00 0.00 0.00 179.01 181.14 1hac n LYS 8 N -4.70 -0.03 0.03 2.33 4.76 0.35 -1.06 118.16 119.84 1hac n LYS 8 Ca -0.06 1.22 -0.19 0.00 -2.87 0.00 0.00 58.31 56.41 1hac n LYS 8 Cb 0.27 -2.45 -0.14 0.00 -1.84 0.00 0.00 35.03 30.87 1hac n LYS 8 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hac h SER 9 N 0.00 0.40 -0.39 4.39 4.64 -1.17 -3.27 113.55 118.14 1hac h SER 9 Ca 0.88 -0.74 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1hac h SER 9 Cb 2.92 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 64.87 1hac h SER 9 CO -0.41 1.64 -0.06 0.00 -0.87 0.00 0.00 176.83 177.13 1hac h ALA 10 N 0.30 0.54 0.57 5.18 0.00 -0.70 0.26 119.26 125.41 1hac h ALA 10 Ca -0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1hac h ALA 10 Cb 2.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1hac h ALA 10 CO 0.12 0.37 -0.44 0.28 0.00 0.00 0.00 179.25 179.59 1hac h VAL 11 N 0.55 0.12 0.00 0.00 2.07 -1.38 -2.84 116.25 114.77 1hac h VAL 11 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1hac h VAL 11 Cb 0.57 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1hac h VAL 11 CO 0.03 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.03 1hac n THR 12 N -5.55 0.00 -0.23 2.57 -1.04 -1.18 -0.63 114.28 108.23 1hac n THR 12 Ca -0.12 0.65 0.20 0.00 -2.04 0.00 0.00 64.05 62.73 1hac n THR 12 Cb 0.44 -1.35 0.33 0.00 -1.82 0.00 0.00 70.33 67.93 1hac n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hac n ALA 13 N -2.35 0.66 -0.03 2.41 0.00 0.07 0.39 120.51 121.67 1hac n ALA 13 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 1hac n ALA 13 Cb 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1hac n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hac h LEU 14 N 0.00 0.15 -1.43 0.00 7.12 -1.38 -3.01 115.31 116.76 1hac h LEU 14 Ca 0.44 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1hac h LEU 14 Cb 1.38 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1hac h LEU 14 CO -0.25 1.01 0.16 -0.25 -0.13 0.00 0.00 178.44 178.98 1hac h TRP 15 N -0.69 0.00 0.00 1.25 2.91 0.99 -1.72 115.95 118.69 1hac h TRP 15 Ca -0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1hac h TRP 15 Cb 1.06 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 1hac h TRP 15 CO 0.22 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 178.04 1hac n GLY 16 N -1.26 -1.59 1.43 2.65 0.00 -0.35 -3.18 105.19 102.90 1hac n GLY 16 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1hac n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hac n LYS 17 N -2.00 2.12 -3.54 1.61 5.02 -0.65 -4.99 118.16 115.74 1hac n LYS 17 Ca 0.06 -3.11 -0.39 0.00 -2.02 0.00 0.00 58.31 52.84 1hac n LYS 17 Cb 0.38 -1.92 -0.11 0.00 -0.02 0.00 0.00 35.03 33.36 1hac n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hac s VAL 18 N -3.21 5.28 -0.68 -0.18 1.01 -1.19 -5.01 120.40 116.43 1hac s VAL 18 Ca 0.48 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1hac s VAL 18 Cb 0.42 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1hac s VAL 18 CO 0.04 0.13 1.40 0.21 0.00 0.00 0.00 175.10 176.87 1hac s ASN 19 N 1.74 6.02 0.35 3.32 3.84 -1.26 -4.77 114.94 124.18 1hac s ASN 19 Ca 0.08 -0.15 0.08 0.00 0.21 0.00 0.00 52.86 53.07 1hac s ASN 19 Cb -0.17 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.65 1hac s ASN 19 CO 0.11 -1.89 1.85 0.58 -2.79 0.00 0.00 177.10 174.96 1hac h VAL 20 N 6.25 1.21 -0.30 -5.21 2.07 -1.97 0.83 116.25 119.13 1hac h VAL 20 Ca -0.27 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.37 1hac h VAL 20 Cb 1.08 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1hac h VAL 20 CO 1.25 0.30 0.31 0.44 0.02 0.00 0.00 177.57 179.88 1hac h ASP 21 N 0.28 0.00 0.00 0.57 3.32 -1.96 -3.25 116.42 115.38 1hac h ASP 21 Ca 0.05 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.72 1hac h ASP 21 Cb 0.48 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 1hac h ASP 21 CO 0.03 0.00 -2.40 -0.62 -1.72 0.00 0.00 179.24 174.53 1hac n GLU 22 N -3.85 0.59 -0.10 3.56 -0.58 0.17 -4.57 120.64 115.85 1hac n GLU 22 Ca 0.05 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.82 1hac n GLU 22 Cb 0.46 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 1hac n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hac h VAL 23 N -0.25 1.29 0.00 2.62 2.07 -1.27 -3.05 116.25 117.67 1hac h VAL 23 Ca -0.57 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1hac h VAL 23 Cb 1.77 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1hac h VAL 23 CO -0.17 0.49 0.00 1.23 0.02 0.00 0.00 177.57 179.15 1hac h GLY 24 N 0.55 0.00 0.00 2.17 0.00 -1.76 -0.51 103.07 103.53 1hac h GLY 24 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 1hac h GLY 24 CO 0.08 0.00 -0.80 -1.33 0.00 0.00 0.00 176.54 174.50 1hac h GLY 25 N 0.27 0.00 -0.37 4.60 0.00 -1.77 -2.42 103.07 103.39 1hac h GLY 25 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1hac h GLY 25 CO 0.00 0.00 -0.46 0.83 0.00 0.00 0.00 176.54 176.91 1hac h GLU 26 N -1.00 -0.30 -0.23 4.80 4.39 -1.37 0.68 114.58 121.55 1hac h GLU 26 Ca -0.21 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.57 1hac h GLU 26 Cb 1.09 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.73 1hac h GLU 26 CO -0.13 -0.20 -0.25 0.00 -1.16 0.00 0.00 179.01 177.27 1hac h ALA 27 N -0.24 -0.16 0.00 3.43 0.00 -1.25 0.78 119.26 121.82 1hac h ALA 27 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hac h ALA 27 Cb 0.48 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1hac h ALA 27 CO -0.51 -0.68 0.00 1.25 0.00 0.00 0.00 179.25 179.31 1hac h LEU 28 N -0.27 0.00 0.11 0.00 5.85 -0.76 -3.05 115.31 117.19 1hac h LEU 28 Ca 0.13 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.62 1hac h LEU 28 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1hac h LEU 28 CO -0.39 0.00 -1.18 1.23 -0.34 0.00 0.00 178.44 177.77 1hac h GLY 29 N 2.73 0.27 0.84 3.75 0.00 0.12 -2.74 103.07 108.04 1hac h GLY 29 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.66 1hac h GLY 29 CO 0.00 0.60 0.16 3.21 0.00 0.00 0.00 176.54 180.51 1hac h ARG 30 N -0.39 0.32 -0.16 4.80 3.08 0.57 -0.28 114.38 122.31 1hac h ARG 30 Ca -0.25 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1hac h ARG 30 Cb 1.67 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.61 1hac h ARG 30 CO 0.07 0.21 -0.31 1.25 -1.07 0.00 0.00 179.97 180.12 1hac h LEU 31 N 0.33 -1.01 -1.08 3.04 5.85 -1.65 3.39 115.31 124.19 1hac h LEU 31 Ca 0.14 0.13 0.18 0.00 0.84 0.00 0.00 57.88 59.16 1hac h LEU 31 Cb 0.05 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 1hac h LEU 31 CO -0.10 -0.25 0.62 -0.07 -0.34 0.00 0.00 178.44 178.30 1hac h LEU 32 N -0.27 0.77 0.08 2.25 3.38 -1.13 -1.35 115.31 119.03 1hac h LEU 32 Ca 0.03 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 1hac h LEU 32 Cb 0.35 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.07 1hac h LEU 32 CO -0.29 0.30 -1.09 0.58 0.09 0.00 0.00 178.44 178.03 1hac h VAL 33 N 0.76 1.32 -0.06 1.22 2.07 0.15 -3.25 116.25 118.46 1hac h VAL 33 Ca 0.55 -2.36 -0.23 0.00 0.82 0.00 0.00 66.70 65.48 1hac h VAL 33 Cb 0.86 2.65 0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1hac h VAL 33 CO -0.33 0.72 -0.88 0.58 0.02 0.00 0.00 177.57 177.67 1hac h VAL 34 N 0.21 1.33 -2.38 2.57 2.07 0.68 -3.38 116.25 117.35 1hac h VAL 34 Ca -0.16 -2.21 -0.59 0.00 0.82 0.00 0.00 66.70 64.56 1hac h VAL 34 Cb 1.77 2.23 -0.40 0.00 -1.52 0.00 0.00 31.29 33.37 1hac h VAL 34 CO 0.21 0.68 -0.82 -1.22 0.02 0.00 0.00 177.57 176.43 1hac n TYR 35 N -3.84 1.37 -0.38 1.57 4.01 -0.56 -5.00 117.16 114.32 1hac n TYR 35 Ca -0.07 -3.83 0.31 0.00 -0.16 0.00 0.00 57.90 54.15 1hac n TYR 35 Cb 0.80 -0.32 0.60 0.00 -0.31 0.00 0.00 39.34 40.11 1hac n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1hac h PRO 36 N 4.74 0.20 0.00 -0.72 0.14 -1.73 -1.91 132.00 132.72 1hac h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.30 1hac h PRO 36 Cb 0.80 -0.05 0.00 0.00 0.14 0.00 0.00 31.00 31.89 1hac h PRO 36 CO 0.60 0.14 0.00 0.11 0.14 0.00 0.00 178.00 178.98 1hac h TRP 37 N 0.21 0.00 0.00 1.56 0.09 -1.93 -0.38 115.95 115.50 1hac h TRP 37 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.68 1hac h TRP 37 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.34 1hac h TRP 37 CO -0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1hac h THR 38 N 0.00 0.00 -0.43 0.12 1.35 -1.67 -2.91 112.91 109.36 1hac h THR 38 Ca 0.00 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1hac h THR 38 Cb 0.18 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 1hac h THR 38 CO 0.00 0.00 0.17 1.56 -0.25 0.00 0.00 175.52 177.00 1hac h GLN 39 N 0.00 0.62 0.00 4.72 4.20 -1.27 -2.79 115.11 120.59 1hac h GLN 39 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1hac h GLN 39 Cb 0.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1hac h GLN 39 CO 0.00 0.52 0.33 0.07 -0.67 0.00 0.00 178.83 179.08 1hac h ARG 40 N 0.61 0.00 0.00 1.46 0.11 -1.74 0.46 114.38 115.29 1hac h ARG 40 Ca 0.15 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.01 1hac h ARG 40 Cb 0.13 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.18 1hac h ARG 40 CO -0.01 0.00 -1.14 0.74 0.10 0.00 0.00 179.97 179.66 1hac h PHE 41 N 0.00 0.00 -1.39 4.08 0.04 -1.75 -3.33 116.94 114.58 1hac h PHE 41 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1hac h PHE 41 Cb 0.66 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 38.43 1hac h PHE 41 CO 0.00 0.93 -0.27 1.19 -0.60 0.00 0.00 178.31 179.56 1hac n PHE 42 N -3.25 3.17 -0.01 -0.55 3.72 0.16 -4.67 117.46 116.04 1hac n PHE 42 Ca -0.04 -2.76 -0.01 0.00 -0.05 0.00 0.00 57.45 54.59 1hac n PHE 42 Cb 0.94 -0.47 0.26 0.00 -0.94 0.00 0.00 39.48 39.27 1hac n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hac h GLU 43 N 2.52 0.54 -0.60 -1.08 4.39 -1.66 -2.73 114.58 115.96 1hac h GLU 43 Ca 0.39 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 60.05 1hac h GLU 43 Cb 0.88 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 1hac h GLU 43 CO 1.01 0.62 0.40 0.66 -1.16 0.00 0.00 179.01 180.54 1hac h SER 44 N 0.50 0.39 0.08 1.42 4.64 -1.91 -2.52 113.55 116.15 1hac h SER 44 Ca 0.10 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1hac h SER 44 Cb 0.44 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1hac h SER 44 CO 0.02 0.24 0.00 -0.26 -0.87 0.00 0.00 176.83 175.96 1hac h PHE 45 N 0.43 0.00 0.00 4.77 -1.00 -1.86 -3.48 116.94 115.80 1hac h PHE 45 Ca 0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1hac h PHE 45 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1hac h PHE 45 CO -0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1hac n GLY 46 N -1.05 0.54 3.64 -1.45 0.00 -0.95 -4.84 105.19 101.08 1hac n GLY 46 Ca -0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1hac n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hac s ASP 47 N -4.00 6.31 -0.03 1.61 2.15 -1.26 -4.81 116.67 116.64 1hac s ASP 47 Ca 0.00 2.28 0.04 0.00 0.43 0.00 0.00 52.55 55.30 1hac s ASP 47 Cb 0.00 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 40.16 1hac s ASP 47 CO 0.00 -1.22 0.94 0.18 -0.17 0.00 0.00 175.17 174.91 1hac n LEU 48 N 8.32 0.70 0.04 -1.34 4.77 -1.26 -4.35 117.00 123.88 1hac n LEU 48 Ca 0.21 -1.38 -0.12 0.00 -0.03 0.00 0.00 56.01 54.69 1hac n LEU 48 Cb 0.43 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1hac n LEU 48 CO 0.66 0.33 0.61 0.28 -1.33 0.00 0.00 177.39 177.94 1hac h SER 49 N 0.00 -1.14 -0.48 -1.43 0.02 -1.91 -3.42 113.55 105.19 1hac h SER 49 Ca 0.00 0.15 -0.61 0.00 -0.84 0.00 0.00 61.79 60.49 1hac h SER 49 Cb 1.17 0.46 -0.07 0.00 0.14 0.00 0.00 62.40 64.10 1hac h SER 49 CO 0.00 -0.42 -0.34 0.42 -1.14 0.00 0.00 176.83 175.35 1hac s THR 50 N -5.95 1.52 0.07 -2.27 -4.23 -1.26 -4.97 115.64 98.55 1hac s THR 50 Ca -0.16 -1.60 -0.15 0.00 -1.18 0.00 0.00 61.69 58.61 1hac s THR 50 Cb 0.09 -2.11 -0.20 0.00 1.34 0.00 0.00 72.50 71.62 1hac s THR 50 CO 0.65 0.00 1.23 -0.65 -0.54 0.00 0.00 174.62 175.31 1hac h PRO 51 N 0.86 0.68 0.00 3.99 0.11 -1.99 0.20 132.00 135.86 1hac h PRO 51 Ca -0.38 -0.63 -0.06 0.00 0.11 0.00 0.00 66.00 65.04 1hac h PRO 51 Cb 1.31 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.56 1hac h PRO 51 CO 0.61 1.24 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.92 1hac h ASP 52 N 0.36 0.00 0.14 -2.05 5.19 -1.96 0.86 116.42 118.95 1hac h ASP 52 Ca -0.08 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1hac h ASP 52 Cb 1.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.97 1hac h ASP 52 CO 0.16 0.27 -0.07 0.00 -3.12 0.00 0.00 179.24 176.49 1hac h ALA 53 N 1.73 -0.19 0.05 3.45 0.00 -1.78 0.45 119.26 122.96 1hac h ALA 53 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1hac h ALA 53 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1hac h ALA 53 CO 0.04 -0.44 -0.14 0.28 0.00 0.00 0.00 179.25 178.98 1hac h VAL 54 N -0.52 0.66 -0.66 0.00 2.07 0.55 -1.67 116.25 116.68 1hac h VAL 54 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1hac h VAL 54 Cb 0.41 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1hac h VAL 54 CO 0.03 0.00 0.41 0.24 0.02 0.00 0.00 177.57 178.27 1hac h MET 55 N -0.26 0.79 -0.03 1.57 2.86 0.77 -0.33 114.93 120.29 1hac h MET 55 Ca 0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1hac h MET 55 Cb 0.30 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1hac h MET 55 CO -0.11 0.52 0.00 0.41 1.06 0.00 0.00 176.91 178.79 1hac n GLY 56 N -1.28 -0.81 3.53 8.32 0.00 0.16 -4.75 105.19 110.36 1hac n GLY 56 Ca 0.07 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1hac n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hac s ASN 57 N -1.26 6.39 0.60 1.61 3.84 -0.14 -4.84 114.94 121.15 1hac s ASN 57 Ca 0.14 -0.22 0.32 0.00 0.21 0.00 0.00 52.86 53.31 1hac s ASN 57 Cb 0.07 -2.42 1.87 0.00 -0.55 0.00 0.00 41.25 40.21 1hac s ASN 57 CO 0.11 -1.11 2.23 1.55 -2.79 0.00 0.00 177.10 177.09 1hac h PRO 58 N 9.18 0.00 0.00 0.43 0.13 -1.86 0.57 132.00 140.45 1hac h PRO 58 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1hac h PRO 58 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1hac h PRO 58 CO 1.04 0.00 -0.00 0.87 -0.23 0.00 0.00 178.00 179.68 1hac h LYS 59 N 0.00 -0.00 -0.72 0.86 1.57 -1.88 0.24 116.57 116.64 1hac h LYS 59 Ca 0.02 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.95 1hac h LYS 59 Cb 0.13 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.33 1hac h LYS 59 CO -0.00 0.83 0.14 0.28 -0.57 0.00 0.00 179.45 180.13 1hac h VAL 60 N -0.84 0.50 0.74 0.50 2.07 -0.94 -0.83 116.25 117.45 1hac h VAL 60 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1hac h VAL 60 Cb 0.83 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1hac h VAL 60 CO 0.00 0.04 -0.43 0.11 0.02 0.00 0.00 177.57 177.31 1hac h LYS 61 N 0.24 -1.06 -0.31 1.57 1.57 0.05 -2.09 116.57 116.54 1hac h LYS 61 Ca 0.40 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.28 1hac h LYS 61 Cb 0.68 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1hac h LYS 61 CO -0.52 -0.71 0.21 0.00 -0.57 0.00 0.00 179.45 177.86 1hac h ALA 62 N -0.93 1.90 -0.09 3.86 0.00 0.08 -2.87 119.26 121.21 1hac h ALA 62 Ca -0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1hac h ALA 62 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1hac h ALA 62 CO 0.11 0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.42 1hac h HIS 63 N 0.32 0.44 -0.51 0.00 -0.00 -0.95 -2.93 115.15 111.52 1hac h HIS 63 Ca 0.12 -0.17 0.15 0.00 -0.00 0.00 0.00 60.37 60.47 1hac h HIS 63 Cb 0.11 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 1hac h HIS 63 CO -0.00 0.88 0.37 0.78 -0.00 0.00 0.00 177.93 179.96 1hac h GLY 64 N -0.13 0.00 0.96 5.26 0.00 -1.31 0.92 103.07 108.77 1hac h GLY 64 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1hac h GLY 64 CO 0.06 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.25 1hac h LYS 65 N 0.00 -0.12 -0.45 4.80 3.11 -1.31 -1.41 116.57 121.19 1hac h LYS 65 Ca 0.24 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.14 1hac h LYS 65 Cb 0.99 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1hac h LYS 65 CO -0.00 -0.08 0.19 0.87 -2.81 0.00 0.00 179.45 177.62 1hac h LYS 66 N -0.12 0.38 0.88 1.90 6.56 0.79 -0.53 116.57 126.42 1hac h LYS 66 Ca -0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 1hac h LYS 66 Cb 0.11 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1hac h LYS 66 CO 0.00 0.25 -0.48 0.28 -2.06 0.00 0.00 179.45 177.44 1hac h VAL 67 N 0.39 0.00 -0.87 0.50 2.07 -0.56 -2.27 116.25 115.50 1hac h VAL 67 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1hac h VAL 67 Cb 0.15 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.86 1hac h VAL 67 CO -0.17 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 177.91 1hac h LEU 68 N -1.25 0.70 -1.49 2.57 3.38 -1.14 0.36 115.31 118.45 1hac h LEU 68 Ca -0.12 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1hac h LEU 68 Cb 0.98 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1hac h LEU 68 CO 0.16 0.39 0.40 1.23 0.09 0.00 0.00 178.44 180.72 1hac h GLY 69 N 0.76 0.78 0.95 0.83 0.00 -0.94 0.56 103.07 106.01 1hac h GLY 69 Ca 0.42 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.34 1hac h GLY 69 CO -0.18 0.21 -0.50 0.00 0.00 0.00 0.00 176.54 176.06 1hac h ALA 70 N 1.66 0.26 -0.90 3.60 0.00 0.20 -3.10 119.26 120.99 1hac h ALA 70 Ca 0.26 -0.50 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1hac h ALA 70 Cb 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1hac h ALA 70 CO -0.07 0.44 0.49 0.74 0.00 0.00 0.00 179.25 180.85 1hac h PHE 71 N 0.26 0.85 -0.13 0.00 0.04 0.23 0.17 116.94 118.36 1hac h PHE 71 Ca -0.02 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 1hac h PHE 71 Cb 1.13 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1hac h PHE 71 CO 0.10 0.18 -0.38 0.66 -0.60 0.00 0.00 178.31 178.28 1hac h SER 72 N 0.65 0.29 0.11 2.17 4.64 -0.87 2.12 113.55 122.66 1hac h SER 72 Ca 0.50 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1hac h SER 72 Cb 0.75 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1hac h SER 72 CO -0.38 0.65 -0.05 0.44 -0.87 0.00 0.00 176.83 176.61 1hac h ASP 73 N 0.24 -0.12 -0.38 4.97 3.32 -1.17 0.90 116.42 124.17 1hac h ASP 73 Ca 0.03 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1hac h ASP 73 Cb 0.78 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1hac h ASP 73 CO 0.06 0.37 0.22 1.23 -1.72 0.00 0.00 179.24 179.41 1hac h GLY 74 N -0.66 0.57 1.37 2.75 0.00 -0.34 0.15 103.07 106.90 1hac h GLY 74 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1hac h GLY 74 CO 0.02 0.24 0.27 -2.00 0.00 0.00 0.00 176.54 175.07 1hac h LEU 75 N 0.50 0.00 0.00 3.11 6.46 0.35 0.41 115.31 126.14 1hac h LEU 75 Ca 0.14 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1hac h LEU 75 Cb 0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1hac h LEU 75 CO -0.02 0.00 -0.78 0.00 -0.62 0.00 0.00 178.44 177.02 1hac h ALA 76 N 1.63 0.69 -1.53 1.25 0.00 0.19 -3.37 119.26 118.11 1hac h ALA 76 Ca 0.08 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 54.07 1hac h ALA 76 Cb 0.62 0.05 -0.42 0.00 0.00 0.00 0.00 17.79 18.04 1hac h ALA 76 CO -0.00 0.42 -0.77 0.72 0.00 0.00 0.00 179.25 179.62 1hac n HIS 77 N -2.97 3.25 -0.24 0.00 8.25 0.14 -4.83 115.22 118.82 1hac n HIS 77 Ca -0.01 -3.16 -0.02 0.00 -0.26 0.00 0.00 57.72 54.27 1hac n HIS 77 Cb 0.67 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.69 1hac n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1hac h LEU 78 N 2.65 -1.02 -0.99 2.41 3.38 -1.69 -0.16 115.31 119.88 1hac h LEU 78 Ca 0.25 0.24 0.36 0.00 0.09 0.00 0.00 57.88 58.82 1hac h LEU 78 Cb 0.91 0.55 -0.18 0.00 0.09 0.00 0.00 40.66 42.04 1hac h LEU 78 CO 0.82 -0.28 0.40 -2.24 0.09 0.00 0.00 178.44 177.22 1hac h ASP 79 N -0.09 0.12 -1.82 -0.43 2.03 -1.88 -3.10 116.42 111.26 1hac h ASP 79 Ca 0.29 0.26 -0.53 0.00 -0.73 0.00 0.00 57.03 56.32 1hac h ASP 79 Cb 0.56 0.31 -0.37 0.00 -0.83 0.00 0.00 39.33 39.00 1hac h ASP 79 CO -0.75 -0.38 -1.06 -3.20 -1.03 0.00 0.00 179.24 172.83 1hac n ASN 80 N -5.30 -0.09 -0.36 4.15 5.15 -0.12 -4.89 115.26 113.80 1hac n ASN 80 Ca 0.33 -2.76 0.07 0.00 -0.60 0.00 0.00 54.58 51.62 1hac n ASN 80 Cb 1.10 -0.42 0.23 0.00 -0.53 0.00 0.00 39.78 40.17 1hac n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hac h LEU 81 N 3.97 0.94 -0.81 1.20 -0.00 -1.36 -3.03 115.31 116.23 1hac h LEU 81 Ca 0.05 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.13 1hac h LEU 81 Cb 0.90 -0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 41.31 1hac h LEU 81 CO 0.45 0.51 0.36 0.07 -0.00 0.00 0.00 178.44 179.83 1hac h LYS 82 N 1.02 0.48 0.04 1.13 -0.00 -1.91 -1.92 116.57 115.41 1hac h LYS 82 Ca 0.49 -0.03 0.03 0.00 -0.00 0.00 0.00 60.65 61.14 1hac h LYS 82 Cb 0.46 -0.11 -0.05 0.00 -0.00 0.00 0.00 32.23 32.53 1hac h LYS 82 CO -0.26 0.32 -0.36 0.78 -0.00 0.00 0.00 179.45 179.93 1hac h GLY 83 N 0.50 -0.65 0.22 0.07 0.00 -1.93 -3.04 103.07 98.23 1hac h GLY 83 Ca 0.45 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.21 1hac h GLY 83 CO -0.41 -0.25 -0.20 -0.91 0.00 0.00 0.00 176.54 174.78 1hac h THR 84 N -0.54 0.00 0.00 4.70 1.35 -1.46 -2.41 112.91 114.56 1hac h THR 84 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1hac h THR 84 Cb 0.60 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1hac h THR 84 CO -0.26 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.50 1hac n PHE 85 N -3.51 0.00 0.00 4.73 3.72 -0.98 -4.35 117.46 117.07 1hac n PHE 85 Ca -0.05 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 1hac n PHE 85 Cb 0.18 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1hac n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hac n ALA 86 N 0.82 0.00 0.10 4.37 0.00 -0.91 -1.21 120.51 123.68 1hac n ALA 86 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1hac n ALA 86 Cb 0.37 0.20 0.42 0.00 0.00 0.00 0.00 19.45 20.44 1hac n ALA 86 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1hac h THR 87 N 0.00 1.14 -0.11 0.00 1.35 -1.84 -3.20 112.91 110.25 1hac h THR 87 Ca 0.00 -0.55 0.04 0.00 -0.55 0.00 0.00 66.41 65.35 1hac h THR 87 Cb 0.00 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 67.37 1hac h THR 87 CO 0.00 0.18 -0.43 -0.07 -0.25 0.00 0.00 175.52 174.95 1hac h LEU 88 N 0.29 -1.35 -0.30 3.87 -0.00 -1.75 -1.15 115.31 114.90 1hac h LEU 88 Ca 0.07 0.17 0.03 0.00 -0.00 0.00 0.00 57.88 58.15 1hac h LEU 88 Cb 0.23 0.55 -0.03 0.00 -0.00 0.00 0.00 40.66 41.40 1hac h LEU 88 CO 0.01 -0.44 0.12 -1.28 -0.00 0.00 0.00 178.44 176.85 1hac h SER 89 N -0.51 0.15 -0.32 -0.43 0.87 -1.15 -2.01 113.55 110.14 1hac h SER 89 Ca 0.07 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1hac h SER 89 Cb 0.64 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.52 1hac h SER 89 CO -0.39 0.12 -0.38 -0.08 -0.53 0.00 0.00 176.83 175.57 1hac h GLU 90 N 0.26 -0.33 -0.19 2.24 4.81 -1.53 0.14 114.58 119.97 1hac h GLU 90 Ca 0.13 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1hac h GLU 90 Cb 0.08 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1hac h GLU 90 CO -0.12 -0.22 -0.35 1.25 -0.73 0.00 0.00 179.01 178.84 1hac h LEU 91 N -0.34 -1.11 0.03 1.64 6.46 -0.64 0.27 115.31 121.61 1hac h LEU 91 Ca 0.13 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1hac h LEU 91 Cb 0.58 0.48 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1hac h LEU 91 CO -0.51 -0.37 -0.01 0.45 -0.62 0.00 0.00 178.44 177.38 1hac h HIS 92 N -0.39 -0.03 0.08 1.25 3.86 -0.84 0.20 115.15 119.28 1hac h HIS 92 Ca 0.11 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1hac h HIS 92 Cb 0.57 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1hac h HIS 92 CO -0.46 0.52 -0.04 0.00 0.86 0.00 0.00 177.93 178.81 1hac n ASP 94 N -4.90 0.00 -0.17 0.00 9.92 0.91 -2.86 116.55 119.45 1hac n ASP 94 Ca -0.08 0.07 -0.05 0.00 -0.53 0.00 0.00 54.79 54.19 1hac n ASP 94 Cb 0.26 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.78 1hac n ASP 94 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1hac h LYS 95 N 0.00 0.53 0.18 -1.24 1.79 -1.04 -3.28 116.57 113.51 1hac h LYS 95 Ca 0.00 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.09 1hac h LYS 95 Cb 0.00 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1hac h LYS 95 CO 0.00 0.35 -1.71 -0.07 -1.08 0.00 0.00 179.45 176.94 1hac h LEU 96 N 0.55 0.58 -2.56 2.94 3.38 -0.75 -3.50 115.31 115.96 1hac h LEU 96 Ca 0.21 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1hac h LEU 96 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1hac h LEU 96 CO -0.12 1.72 -0.10 1.41 0.09 0.00 0.00 178.44 181.44 1hac n HIS 97 N -3.57 -2.11 -4.25 1.13 8.25 0.33 -5.00 115.22 110.00 1hac n HIS 97 Ca -0.23 0.82 -0.34 0.00 -0.26 0.00 0.00 57.72 57.71 1hac n HIS 97 Cb 1.07 -3.26 -0.12 0.00 1.12 0.00 0.00 29.99 28.80 1hac n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hac s VAL 98 N -2.74 3.90 0.23 1.59 1.01 0.26 -4.99 120.40 119.67 1hac s VAL 98 Ca 0.05 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.37 1hac s VAL 98 Cb -0.01 -2.73 -0.12 0.00 0.00 0.00 0.00 36.38 33.51 1hac s VAL 98 CO 0.51 0.47 1.67 -0.67 0.00 0.00 0.00 175.10 177.07 1hac n ASP 99 N 3.86 3.88 -0.21 3.32 -0.08 -1.26 -4.68 116.55 121.37 1hac n ASP 99 Ca -0.17 1.09 0.26 0.00 -1.51 0.00 0.00 54.79 54.46 1hac n ASP 99 Cb 0.52 -1.57 0.66 0.00 2.34 0.00 0.00 41.12 43.07 1hac n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hac h PRO 100 N 6.03 0.13 -0.73 -0.67 0.10 -1.97 0.22 132.00 135.10 1hac h PRO 100 Ca -0.44 -0.01 0.13 0.00 0.10 0.00 0.00 66.00 65.78 1hac h PRO 100 Cb 1.21 -0.03 -0.05 0.00 0.10 0.00 0.00 31.00 32.24 1hac h PRO 100 CO 0.90 0.08 0.49 1.49 0.10 0.00 0.00 178.00 181.06 1hac h GLU 101 N 0.13 0.43 -0.59 1.05 4.57 -2.00 -0.69 114.58 117.48 1hac h GLU 101 Ca 0.46 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.54 1hac h GLU 101 Cb 1.59 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.06 1hac h GLU 101 CO -0.07 0.29 0.07 -0.91 -1.18 0.00 0.00 179.01 177.21 1hac h ASN 102 N 0.45 0.96 -0.30 1.04 -0.26 -1.31 -0.34 115.58 115.82 1hac h ASN 102 Ca 0.35 -0.27 0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1hac h ASN 102 Cb 0.75 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1hac h ASN 102 CO -0.11 0.99 0.03 -0.26 -1.06 0.00 0.00 177.43 177.02 1hac h PHE 103 N 0.90 0.04 -0.60 1.19 0.04 -1.21 0.27 116.94 117.57 1hac h PHE 103 Ca 0.18 0.02 0.12 0.00 2.80 0.00 0.00 57.97 61.09 1hac h PHE 103 Cb 0.45 0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.53 1hac h PHE 103 CO 0.03 -0.01 -0.01 -0.09 -0.60 0.00 0.00 178.31 177.63 1hac h ARG 104 N 0.13 0.11 0.02 1.51 9.65 -0.69 -1.00 114.38 124.11 1hac h ARG 104 Ca 0.14 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1hac h ARG 104 Cb 0.17 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1hac h ARG 104 CO -0.21 0.07 -0.01 -0.07 2.80 0.00 0.00 179.97 182.55 1hac h LEU 105 N 0.11 -0.03 -0.84 3.80 3.38 0.10 -2.01 115.31 119.82 1hac h LEU 105 Ca 0.31 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.41 1hac h LEU 105 Cb 0.49 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1hac h LEU 105 CO -0.52 0.02 0.39 0.25 0.09 0.00 0.00 178.44 178.67 1hac h LEU 106 N -0.07 0.41 0.71 1.67 5.85 0.11 -0.47 115.31 123.52 1hac h LEU 106 Ca -0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1hac h LEU 106 Cb 0.06 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1hac h LEU 106 CO 0.01 0.12 -0.40 1.23 -0.34 0.00 0.00 178.44 179.06 1hac h GLY 107 N 0.51 -1.11 0.91 3.75 0.00 -0.67 -2.00 103.07 104.46 1hac h GLY 107 Ca 0.48 0.44 0.08 0.00 0.00 0.00 0.00 47.33 48.34 1hac h GLY 107 CO -0.43 -0.40 0.51 3.43 0.00 0.00 0.00 176.54 179.66 1hac h ASN 108 N -1.04 0.68 1.05 0.19 -0.26 -0.54 0.35 115.58 116.02 1hac h ASN 108 Ca -0.09 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1hac h ASN 108 Cb 0.82 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1hac h ASN 108 CO 0.12 0.42 0.00 1.62 -1.06 0.00 0.00 177.43 178.53 1hac h VAL 109 N 0.77 0.00 0.00 2.81 3.04 -1.05 0.89 116.25 122.71 1hac h VAL 109 Ca 0.35 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1hac h VAL 109 Cb 0.35 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1hac h VAL 109 CO -0.13 0.00 -0.17 -0.11 -1.01 0.00 0.00 177.57 176.15 1hac n LEU 110 N -2.87 0.41 -0.07 3.16 7.94 0.12 -2.17 117.00 123.51 1hac n LEU 110 Ca 0.01 0.40 -0.22 0.00 -1.11 0.00 0.00 56.01 55.09 1hac n LEU 110 Cb 0.31 -0.36 -0.12 0.00 0.53 0.00 0.00 43.42 43.77 1hac n LEU 110 CO 0.26 -0.04 -0.70 0.52 -1.11 0.00 0.00 177.39 176.33 1hac n VAL 111 N -1.79 1.62 -0.23 1.96 0.31 -0.57 -2.15 118.33 117.47 1hac n VAL 111 Ca 0.06 -0.27 0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1hac n VAL 111 Cb 0.38 -1.92 0.16 0.00 -0.91 0.00 0.00 33.84 31.55 1hac n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hac h VAL 113 N 0.24 1.26 -0.28 0.00 2.07 -1.55 -2.43 116.25 115.57 1hac h VAL 113 Ca 0.39 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1hac h VAL 113 Cb 0.64 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1hac h VAL 113 CO -0.50 0.40 -0.08 -0.07 0.02 0.00 0.00 177.57 177.34 1hac h LEU 114 N 0.87 0.44 -0.93 2.57 3.38 -0.41 0.43 115.31 121.66 1hac h LEU 114 Ca 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1hac h LEU 114 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1hac h LEU 114 CO 0.03 0.57 0.25 0.00 0.09 0.00 0.00 178.44 179.38 1hac h ALA 115 N 1.48 1.14 -0.56 1.53 0.00 -0.81 -1.90 119.26 120.15 1hac h ALA 115 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1hac h ALA 115 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hac h ALA 115 CO 0.02 0.61 0.22 1.25 0.00 0.00 0.00 179.25 181.35 1hac h HIS 116 N 1.00 0.86 0.20 0.00 -0.00 -0.44 -2.31 115.15 114.46 1hac h HIS 116 Ca 0.23 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1hac h HIS 116 Cb 0.23 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1hac h HIS 116 CO 0.02 0.70 -0.10 0.45 -0.00 0.00 0.00 177.93 179.00 1hac h HIS 117 N 0.77 -0.25 -0.10 5.26 -0.00 -1.13 -3.35 115.15 116.35 1hac h HIS 117 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1hac h HIS 117 Cb 0.21 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1hac h HIS 117 CO 0.01 0.15 0.00 1.19 -0.00 0.00 0.00 177.93 179.28 1hac n PHE 118 N -4.97 0.13 0.00 2.45 3.72 -0.73 -5.00 117.46 113.06 1hac n PHE 118 Ca -0.08 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1hac n PHE 118 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1hac n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hac n GLY 119 N 0.72 1.27 0.31 1.37 0.00 -0.87 -0.68 105.19 107.31 1hac n GLY 119 Ca 0.06 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1hac n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hac h LYS 120 N 0.00 0.28 -0.46 1.61 6.56 -1.95 0.15 116.57 122.78 1hac h LYS 120 Ca 0.00 -0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.68 1hac h LYS 120 Cb 0.00 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.57 1hac h LYS 120 CO 0.00 0.19 0.32 0.93 -2.06 0.00 0.00 179.45 178.82 1hac h GLU 121 N 0.29 0.15 -6.35 3.15 5.08 -1.30 -3.31 114.58 112.29 1hac h GLU 121 Ca 0.13 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.94 1hac h GLU 121 Cb 0.15 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1hac h GLU 121 CO -0.03 0.10 1.04 0.12 -1.00 0.00 0.00 179.01 179.24 1hac s PHE 122 N -5.17 2.33 0.22 4.33 5.36 0.53 -4.95 117.98 120.62 1hac s PHE 122 Ca -0.06 -0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1hac s PHE 122 Cb 0.19 -4.61 -0.04 0.00 -0.34 0.00 0.00 43.02 38.23 1hac s PHE 122 CO 0.73 -2.02 0.38 0.95 -1.46 0.00 0.00 175.22 173.80 1hac s THR 123 N 5.61 5.23 0.31 0.12 -4.23 -1.25 -4.85 115.64 116.58 1hac s THR 123 Ca 0.35 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1hac s THR 123 Cb -0.08 -3.78 0.33 0.00 1.34 0.00 0.00 72.50 70.31 1hac s THR 123 CO 0.16 -0.24 1.63 -0.65 -0.54 0.00 0.00 174.62 174.99 1hac h PRO 124 N 1.70 0.17 -0.43 3.99 0.11 -1.93 1.92 132.00 137.53 1hac h PRO 124 Ca -0.49 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1hac h PRO 124 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1hac h PRO 124 CO 0.66 0.11 -0.21 -1.35 -0.21 0.00 0.00 178.00 177.00 1hac h PRO 125 N 0.18 0.90 -0.05 1.05 0.11 -1.99 0.11 132.00 132.32 1hac h PRO 125 Ca 0.61 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1hac h PRO 125 Cb 1.31 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1hac h PRO 125 CO -0.70 1.05 0.03 0.28 -0.21 0.00 0.00 178.00 178.45 1hac h VAL 126 N 0.73 1.03 -0.66 3.15 2.07 0.20 -1.44 116.25 121.33 1hac h VAL 126 Ca 0.10 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1hac h VAL 126 Cb 0.78 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1hac h VAL 126 CO 0.06 0.02 0.32 -0.61 0.02 0.00 0.00 177.57 177.39 1hac h GLN 127 N 0.05 0.55 -0.26 1.57 4.15 0.14 -1.21 115.11 120.09 1hac h GLN 127 Ca 0.02 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1hac h GLN 127 Cb 0.01 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 27.50 1hac h GLN 127 CO -0.00 0.37 -0.35 0.00 -1.93 0.00 0.00 178.83 176.91 1hac h ALA 128 N 1.40 -0.35 -0.15 3.38 0.00 0.25 0.32 119.26 124.10 1hac h ALA 128 Ca 0.32 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1hac h ALA 128 Cb 0.31 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1hac h ALA 128 CO -0.25 -0.80 -0.10 0.00 0.00 0.00 0.00 179.25 178.10 1hac h ALA 129 N 0.49 0.02 -0.50 0.00 0.00 -0.58 -2.32 119.26 116.37 1hac h ALA 129 Ca 0.13 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1hac h ALA 129 Cb 0.56 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1hac h ALA 129 CO -0.46 -0.54 0.26 1.88 0.00 0.00 0.00 179.25 180.40 1hac h TYR 130 N -0.10 0.49 -1.08 0.00 0.05 -0.70 -0.63 116.97 115.01 1hac h TYR 130 Ca 0.09 0.02 0.30 0.00 0.05 0.00 0.00 58.73 59.19 1hac h TYR 130 Cb 0.23 -0.15 -0.11 0.00 1.01 0.00 0.00 36.73 37.71 1hac h TYR 130 CO -0.23 0.25 0.67 1.96 -1.05 0.00 0.00 178.16 179.76 1hac h GLN 131 N 0.52 0.35 -0.11 4.88 1.08 0.08 0.92 115.11 122.84 1hac h GLN 131 Ca 0.22 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.30 1hac h GLN 131 Cb 0.10 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1hac h GLN 131 CO -0.14 0.23 -0.29 -0.22 -0.95 0.00 0.00 178.83 177.47 1hac h LYS 132 N 0.36 0.38 -0.87 1.46 1.63 -0.72 -2.42 116.57 116.39 1hac h LYS 132 Ca 0.66 -0.27 0.02 0.00 -0.85 0.00 0.00 60.65 60.21 1hac h LYS 132 Cb 1.66 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 33.29 1hac h LYS 132 CO -0.40 0.89 0.57 0.28 -3.45 0.00 0.00 179.45 177.34 1hac h VAL 133 N -0.06 1.19 -0.50 2.00 2.07 0.19 -2.43 116.25 118.71 1hac h VAL 133 Ca -0.01 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1hac h VAL 133 Cb 0.90 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1hac h VAL 133 CO 0.06 0.21 -0.04 0.58 0.02 0.00 0.00 177.57 178.40 1hac h VAL 134 N 1.14 1.26 -0.58 2.57 2.07 0.57 -2.14 116.25 121.14 1hac h VAL 134 Ca 0.33 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1hac h VAL 134 Cb -0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1hac h VAL 134 CO -0.09 0.39 0.25 0.00 0.02 0.00 0.00 177.57 178.14 1hac h ALA 135 N 1.14 0.76 0.27 1.67 0.00 -1.27 -0.69 119.26 121.14 1hac h ALA 135 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hac h ALA 135 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hac h ALA 135 CO 0.03 0.36 -0.22 0.78 0.00 0.00 0.00 179.25 180.20 1hac h GLY 136 N 0.80 -0.51 0.70 0.00 0.00 -0.92 0.14 103.07 103.29 1hac h GLY 136 Ca 0.20 0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.81 1hac h GLY 136 CO -0.02 -0.21 0.05 -2.08 0.00 0.00 0.00 176.54 174.28 1hac h VAL 137 N -0.50 0.88 -0.05 4.60 2.07 -1.37 0.31 116.25 122.19 1hac h VAL 137 Ca -0.01 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1hac h VAL 137 Cb 0.45 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1hac h VAL 137 CO -0.02 0.03 -0.48 0.00 0.02 0.00 0.00 177.57 177.11 1hac h ALA 138 N 1.19 -0.79 -0.12 1.67 0.00 -0.76 0.58 119.26 121.04 1hac h ALA 138 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1hac h ALA 138 Cb 0.12 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1hac h ALA 138 CO -0.16 -1.03 0.09 -0.91 0.00 0.00 0.00 179.25 177.24 1hac h ASN 139 N -0.60 0.00 0.67 0.00 4.21 -0.39 -0.67 115.58 118.80 1hac h ASN 139 Ca 0.04 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.40 1hac h ASN 139 Cb 0.68 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 1hac h ASN 139 CO -0.37 0.00 -0.70 0.00 -1.29 0.00 0.00 177.43 175.07 1hac h ALA 140 N 1.94 0.83 -0.01 -0.83 0.00 0.17 -1.92 119.26 119.44 1hac h ALA 140 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1hac h ALA 140 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1hac h ALA 140 CO -0.00 0.86 -0.11 1.28 0.00 0.00 0.00 179.25 181.28 1hac n LEU 141 N -3.72 1.22 -0.08 0.00 4.32 -0.30 -4.23 117.00 114.21 1hac n LEU 141 Ca -0.01 -0.37 -0.20 0.00 -0.02 0.00 0.00 56.01 55.42 1hac n LEU 141 Cb 0.69 -0.06 -0.13 0.00 -1.62 0.00 0.00 43.42 42.30 1hac n LEU 141 CO 0.43 0.21 -1.14 0.00 -1.22 0.00 0.00 177.39 175.67 1hac n ALA 142 N -0.24 1.22 0.22 -1.18 0.00 -0.44 -4.45 120.51 115.63 1hac n ALA 142 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1hac n ALA 142 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1hac n ALA 142 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hac n HIS 143 N -3.37 0.00 -0.34 0.00 8.25 -0.77 -1.90 115.22 117.09 1hac n HIS 143 Ca -0.41 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1hac n HIS 143 Cb 1.01 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.87 1hac n HIS 143 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hac n LYS 144 N 1.12 1.12 -2.43 -0.41 4.76 -1.26 -4.08 118.16 116.98 1hac n LYS 144 Ca 0.00 -0.89 -0.15 0.00 -2.87 0.00 0.00 58.31 54.40 1hac n LYS 144 Cb 0.25 -0.83 0.03 0.00 -1.84 0.00 0.00 35.03 32.63 1hac n LYS 144 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1hac n TYR 145 N -0.22 2.20 -0.41 2.13 4.19 -0.80 -4.55 117.16 119.70 1hac n TYR 145 Ca 0.00 -2.41 0.00 0.00 3.31 0.00 0.00 57.90 58.80 1hac n TYR 145 Cb 0.25 -0.27 0.00 0.00 0.49 0.00 0.00 39.34 39.81 1hac n TYR 145 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49