#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a00 n HIS 2 N 0.00 0.71 -5.02 1.12 -0.00 -1.26 -4.77 115.22 105.99 1a00 n HIS 2 Ca 0.00 -1.84 -0.32 0.00 0.46 0.00 0.00 57.72 56.02 1a00 n HIS 2 Cb 0.00 -1.75 -0.14 0.00 -0.12 0.00 0.00 29.99 27.97 1a00 n HIS 2 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1a00 s LEU 3 N 0.05 2.49 0.79 0.27 1.43 -1.26 -5.09 118.68 117.36 1a00 s LEU 3 Ca 0.61 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1a00 s LEU 3 Cb 0.25 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 45.05 1a00 s LEU 3 CO -0.02 0.31 1.11 0.42 0.23 0.00 0.00 176.35 178.40 1a00 s THR 4 N -0.53 2.96 0.51 5.49 -4.23 -1.26 -4.71 115.64 113.87 1a00 s THR 4 Ca 0.07 0.34 0.18 0.00 -1.18 0.00 0.00 61.69 61.10 1a00 s THR 4 Cb -0.11 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.32 1a00 s THR 4 CO 0.01 -0.39 2.07 1.55 -0.54 0.00 0.00 174.62 177.32 1a00 h PRO 5 N -1.13 0.08 -0.39 3.99 0.13 -1.99 0.24 132.00 132.94 1a00 h PRO 5 Ca -0.44 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1a00 h PRO 5 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1a00 h PRO 5 CO 0.49 0.05 -0.36 0.93 -0.23 0.00 0.00 178.00 178.89 1a00 h GLU 6 N 0.09 0.94 -0.53 0.86 3.07 -2.00 -2.34 114.58 114.66 1a00 h GLU 6 Ca 0.13 -0.48 -0.12 0.00 -0.50 0.00 0.00 59.36 58.39 1a00 h GLU 6 Cb 0.41 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1a00 h GLU 6 CO -0.01 1.14 -0.13 0.93 -1.40 0.00 0.00 179.01 179.54 1a00 h GLU 7 N 0.76 1.02 -0.67 2.33 5.08 -1.25 -1.93 114.58 119.93 1a00 h GLU 7 Ca 0.07 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1a00 h GLU 7 Cb 0.95 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1a00 h GLU 7 CO 0.09 1.08 0.44 0.87 -1.00 0.00 0.00 179.01 180.48 1a00 h LYS 8 N 0.89 0.85 -0.28 2.33 1.57 -0.49 -1.85 116.57 119.59 1a00 h LYS 8 Ca 0.13 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1a00 h LYS 8 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1a00 h LYS 8 CO 0.05 0.57 -0.13 0.77 -0.57 0.00 0.00 179.45 180.14 1a00 h SER 9 N 0.88 0.61 -0.50 0.86 0.02 -1.24 -2.53 113.55 111.64 1a00 h SER 9 Ca 0.25 -0.40 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1a00 h SER 9 Cb -0.07 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.23 1a00 h SER 9 CO -0.07 0.87 0.10 0.00 -1.14 0.00 0.00 176.83 176.60 1a00 h ALA 10 N 0.75 0.56 -0.06 3.77 0.00 -1.12 0.61 119.26 123.77 1a00 h ALA 10 Ca 0.06 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1a00 h ALA 10 Cb 0.64 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1a00 h ALA 10 CO 0.04 -0.30 -0.09 0.28 0.00 0.00 0.00 179.25 179.18 1a00 h VAL 11 N 0.24 0.75 -0.12 0.00 2.07 -1.26 -2.27 116.25 115.66 1a00 h VAL 11 Ca 0.25 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 1a00 h VAL 11 Cb 0.33 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1a00 h VAL 11 CO -0.32 0.00 0.01 0.74 0.02 0.00 0.00 177.57 178.02 1a00 h THR 12 N -0.13 1.23 -0.75 2.57 2.02 -0.98 -0.69 112.91 116.18 1a00 h THR 12 Ca 0.06 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.60 1a00 h THR 12 Cb 0.21 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1a00 h THR 12 CO -0.14 0.21 0.40 0.00 0.37 0.00 0.00 175.52 176.36 1a00 h ALA 13 N 0.78 1.05 -0.16 6.16 0.00 0.26 -1.96 119.26 125.40 1a00 h ALA 13 Ca 0.03 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1a00 h ALA 13 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a00 h ALA 13 CO 0.00 0.00 -0.64 1.25 0.00 0.00 0.00 179.25 179.86 1a00 h LEU 14 N 0.67 0.67 -1.71 0.00 5.85 -1.22 -3.20 115.31 116.37 1a00 h LEU 14 Ca 0.37 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1a00 h LEU 14 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1a00 h LEU 14 CO -0.26 1.14 0.22 -0.25 -0.34 0.00 0.00 178.44 178.95 1a00 h TRP 15 N 0.43 0.37 -0.19 1.25 2.91 -0.38 -0.72 115.95 119.63 1a00 h TRP 15 Ca -0.01 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.07 1a00 h TRP 15 Cb 1.22 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 1a00 h TRP 15 CO 0.05 0.23 0.19 0.78 -1.03 0.00 0.00 178.44 178.67 1a00 h GLY 16 N 0.40 0.00 -1.50 2.65 0.00 -1.44 0.21 103.07 103.40 1a00 h GLY 16 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1a00 h GLY 16 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1a00 n LYS 17 N -3.89 2.10 -3.29 4.80 5.02 -0.28 -4.92 118.16 117.70 1a00 n LYS 17 Ca 0.02 -1.64 -0.38 0.00 -2.02 0.00 0.00 58.31 54.28 1a00 n LYS 17 Cb 0.32 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1a00 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a00 s VAL 18 N -1.74 5.05 -1.06 -0.18 1.01 0.06 -5.02 120.40 118.52 1a00 s VAL 18 Ca 0.35 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 1a00 s VAL 18 Cb 0.20 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.85 1a00 s VAL 18 CO 0.30 0.40 1.33 0.21 0.00 0.00 0.00 175.10 177.34 1a00 s ASN 19 N 0.03 6.76 0.40 3.32 3.84 -1.26 -4.90 114.94 123.12 1a00 s ASN 19 Ca 0.28 -2.26 0.21 0.00 0.21 0.00 0.00 52.86 51.29 1a00 s ASN 19 Cb -0.17 -2.45 1.18 0.00 -0.55 0.00 0.00 41.25 39.27 1a00 s ASN 19 CO 0.14 -1.05 1.72 0.58 -2.79 0.00 0.00 177.10 175.70 1a00 h VAL 20 N 5.63 0.41 0.04 -5.21 2.07 -1.95 -1.13 116.25 116.10 1a00 h VAL 20 Ca 0.24 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1a00 h VAL 20 Cb 0.96 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1a00 h VAL 20 CO 1.23 0.06 -0.05 0.44 0.02 0.00 0.00 177.57 179.27 1a00 h ASP 21 N 0.32 -0.13 -0.14 0.57 5.19 -1.91 -2.08 116.42 118.24 1a00 h ASP 21 Ca 0.66 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 57.13 1a00 h ASP 21 Cb 1.78 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 41.28 1a00 h ASP 21 CO -0.36 -0.06 -0.22 -0.33 -3.12 0.00 0.00 179.24 175.16 1a00 h GLU 22 N -0.09 -0.26 -0.46 3.56 5.08 -1.66 -3.17 114.58 117.58 1a00 h GLU 22 Ca -0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1a00 h GLU 22 Cb 0.08 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1a00 h GLU 22 CO -0.01 -0.18 -0.06 0.28 -1.00 0.00 0.00 179.01 178.04 1a00 h VAL 23 N -0.27 1.25 0.19 3.13 2.07 -1.32 -2.80 116.25 118.48 1a00 h VAL 23 Ca 0.10 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1a00 h VAL 23 Cb 0.43 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1a00 h VAL 23 CO -0.30 0.38 -0.11 1.23 0.02 0.00 0.00 177.57 178.79 1a00 h GLY 24 N 0.98 -0.29 1.01 2.17 0.00 -1.35 0.31 103.07 105.90 1a00 h GLY 24 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1a00 h GLY 24 CO 0.03 -0.12 0.53 -1.33 0.00 0.00 0.00 176.54 175.65 1a00 h GLY 25 N -0.29 1.19 0.91 4.60 0.00 -1.54 0.31 103.07 108.25 1a00 h GLY 25 Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1a00 h GLY 25 CO 0.02 0.46 0.09 -2.09 0.00 0.00 0.00 176.54 175.02 1a00 h GLU 26 N 1.14 0.50 0.10 4.80 4.57 -1.43 0.25 114.58 124.51 1a00 h GLU 26 Ca 0.30 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1a00 h GLU 26 Cb -0.09 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1a00 h GLU 26 CO -0.06 0.55 -0.05 0.00 -1.18 0.00 0.00 179.01 178.27 1a00 h ALA 27 N 0.93 -0.13 -0.04 2.92 0.00 -0.51 0.04 119.26 122.47 1a00 h ALA 27 Ca 0.10 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1a00 h ALA 27 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a00 h ALA 27 CO -0.00 -0.47 -0.44 1.25 0.00 0.00 0.00 179.25 179.58 1a00 h LEU 28 N -0.33 0.09 -0.34 0.00 5.85 -0.41 -2.38 115.31 117.79 1a00 h LEU 28 Ca -0.01 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 1a00 h LEU 28 Cb 0.28 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1a00 h LEU 28 CO 0.02 0.52 -0.20 1.23 -0.34 0.00 0.00 178.44 179.67 1a00 h GLY 29 N 1.32 0.80 1.95 3.75 0.00 -0.82 -2.75 103.07 107.31 1a00 h GLY 29 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1a00 h GLY 29 CO 0.06 0.67 -0.30 3.21 0.00 0.00 0.00 176.54 180.18 1a00 h ARG 30 N 0.51 0.06 -0.31 4.80 3.08 -0.94 -0.20 114.38 121.38 1a00 h ARG 30 Ca 0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1a00 h ARG 30 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1a00 h ARG 30 CO 0.06 0.36 0.18 1.25 -1.07 0.00 0.00 179.97 180.75 1a00 h LEU 31 N 0.06 0.38 -1.22 3.04 5.85 -1.23 0.14 115.31 122.32 1a00 h LEU 31 Ca 0.01 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1a00 h LEU 31 Cb 0.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1a00 h LEU 31 CO 0.04 0.33 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.30 1a00 h LEU 32 N 0.39 0.39 0.06 2.25 3.38 -1.20 -0.83 115.31 119.75 1a00 h LEU 32 Ca 0.11 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1a00 h LEU 32 Cb 0.03 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a00 h LEU 32 CO -0.02 0.54 -0.45 0.58 0.09 0.00 0.00 178.44 179.17 1a00 h VAL 33 N 0.39 1.60 -0.09 1.22 2.07 -0.72 -3.29 116.25 117.43 1a00 h VAL 33 Ca 0.08 -2.41 -0.18 0.00 0.82 0.00 0.00 66.70 65.01 1a00 h VAL 33 Cb 0.43 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1a00 h VAL 33 CO 0.02 0.64 -0.69 0.58 0.02 0.00 0.00 177.57 178.14 1a00 h VAL 34 N -0.73 1.38 -2.82 2.57 2.07 -1.01 -3.37 116.25 114.34 1a00 h VAL 34 Ca -0.09 -2.09 -0.61 0.00 0.82 0.00 0.00 66.70 64.73 1a00 h VAL 34 Cb 1.30 2.07 -0.41 0.00 -1.52 0.00 0.00 31.29 32.73 1a00 h VAL 34 CO 0.05 0.63 -0.71 -1.22 0.02 0.00 0.00 177.57 176.33 1a00 n TYR 35 N -3.85 1.85 0.26 1.57 4.01 -0.32 -4.98 117.16 115.70 1a00 n TYR 35 Ca -0.04 -3.97 0.10 0.00 -0.16 0.00 0.00 57.90 53.83 1a00 n TYR 35 Cb 0.68 -0.33 0.68 0.00 -0.31 0.00 0.00 39.34 40.06 1a00 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a00 h PRO 36 N 5.43 0.00 -0.01 -0.72 0.13 -1.73 -1.73 132.00 133.37 1a00 h PRO 36 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1a00 h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1a00 h PRO 36 CO 0.60 0.11 0.02 0.10 -0.23 0.00 0.00 178.00 178.60 1a00 h TYR 37 N 0.00 0.00 0.00 1.56 -0.00 -1.91 0.56 116.97 117.18 1a00 h TYR 37 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1a00 h TYR 37 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.96 1a00 h TYR 37 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.16 179.95 1a00 h THR 38 N 0.00 0.00 0.00 -0.90 1.35 -1.63 -2.65 112.91 109.08 1a00 h THR 38 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1a00 h THR 38 Cb 0.04 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1a00 h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1a00 h GLN 39 N 0.00 0.00 -0.30 4.72 4.20 -1.06 -3.02 115.11 119.65 1a00 h GLN 39 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1a00 h GLN 39 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1a00 h GLN 39 CO 0.00 0.00 0.29 0.07 -0.67 0.00 0.00 178.83 178.52 1a00 h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.68 -1.78 114.38 112.49 1a00 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a00 h ARG 40 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1a00 h ARG 40 CO 0.00 0.00 -0.39 1.19 0.10 0.00 0.00 179.97 180.87 1a00 n PHE 41 N -3.90 0.00 -1.83 4.08 3.72 -1.14 -4.38 117.46 114.01 1a00 n PHE 41 Ca 0.04 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1a00 n PHE 41 Cb 0.45 -0.19 0.15 0.00 -0.94 0.00 0.00 39.48 38.95 1a00 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a00 n PHE 42 N -1.12 0.31 -0.23 1.38 3.72 -0.67 -4.79 117.46 116.07 1a00 n PHE 42 Ca 0.09 -1.42 0.11 0.00 -0.05 0.00 0.00 57.45 56.17 1a00 n PHE 42 Cb 0.34 -0.24 0.39 0.00 -0.94 0.00 0.00 39.48 39.03 1a00 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a00 h GLU 43 N 1.16 0.65 0.00 -1.08 4.39 -1.76 0.67 114.58 118.60 1a00 h GLU 43 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a00 h GLU 43 Cb 1.21 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1a00 h GLU 43 CO 0.10 0.43 0.00 -1.13 -1.16 0.00 0.00 179.01 177.25 1a00 n SER 44 N -4.52 0.00 -0.07 1.42 3.41 -1.26 -2.45 113.62 110.15 1a00 n SER 44 Ca 0.15 -0.34 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 1a00 n SER 44 Cb 0.41 -0.04 0.48 0.00 -0.26 0.00 0.00 64.21 64.80 1a00 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a00 n PHE 45 N -1.04 0.00 -0.85 7.33 3.01 0.23 -5.03 117.46 121.10 1a00 n PHE 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1a00 n PHE 45 Cb 0.06 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1a00 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a00 n GLY 46 N 1.40 -0.06 3.65 1.37 0.00 -1.02 -4.80 105.19 105.73 1a00 n GLY 46 Ca 0.10 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1a00 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a00 s ASP 47 N -4.00 6.73 -0.06 1.61 2.15 -1.26 -4.87 116.67 116.97 1a00 s ASP 47 Ca 0.00 1.85 0.13 0.00 0.43 0.00 0.00 52.55 54.96 1a00 s ASP 47 Cb 0.00 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.34 1a00 s ASP 47 CO 0.00 -0.93 1.11 0.18 -0.17 0.00 0.00 175.17 175.36 1a00 n LEU 48 N 7.19 1.15 0.19 -1.34 4.77 -1.26 -4.29 117.00 123.40 1a00 n LEU 48 Ca 0.16 -2.13 0.04 0.00 -0.03 0.00 0.00 56.01 54.05 1a00 n LEU 48 Cb 0.44 -0.16 0.46 0.00 -2.33 0.00 0.00 43.42 41.83 1a00 n LEU 48 CO 0.60 0.59 0.89 0.77 -1.33 0.00 0.00 177.39 178.91 1a00 h SER 49 N 0.47 0.07 -5.35 -1.43 4.64 -1.90 -3.44 113.55 106.61 1a00 h SER 49 Ca -0.07 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.02 1a00 h SER 49 Cb 1.42 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.35 1a00 h SER 49 CO 0.03 0.25 -0.64 0.42 -0.87 0.00 0.00 176.83 176.02 1a00 s THR 50 N -4.65 0.14 0.19 2.95 -4.23 -1.26 -5.01 115.64 103.79 1a00 s THR 50 Ca -0.04 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1a00 s THR 50 Cb 0.16 -2.22 0.16 0.00 1.34 0.00 0.00 72.50 71.94 1a00 s THR 50 CO 0.71 -0.30 1.60 -0.65 -0.54 0.00 0.00 174.62 175.44 1a00 h PRO 51 N 2.75 -0.11 -0.71 3.99 0.11 -1.97 0.11 132.00 136.17 1a00 h PRO 51 Ca -0.36 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1a00 h PRO 51 Cb 1.22 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1a00 h PRO 51 CO 0.58 -0.07 0.28 -0.44 -0.21 0.00 0.00 178.00 178.13 1a00 h ASP 52 N -0.11 0.98 -0.13 -2.05 3.32 -1.98 0.20 116.42 116.66 1a00 h ASP 52 Ca 0.26 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1a00 h ASP 52 Cb 0.52 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1a00 h ASP 52 CO -0.65 0.89 -0.08 0.00 -1.72 0.00 0.00 179.24 177.68 1a00 h ALA 53 N 1.13 1.36 0.12 3.45 0.00 -1.48 -2.64 119.26 121.21 1a00 h ALA 53 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a00 h ALA 53 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a00 h ALA 53 CO -0.02 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.89 1a00 h VAL 54 N 0.41 0.95 -0.28 0.00 2.07 -0.44 -2.95 116.25 116.01 1a00 h VAL 54 Ca 0.08 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1a00 h VAL 54 Cb 0.40 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1a00 h VAL 54 CO 0.02 0.26 0.19 0.24 0.02 0.00 0.00 177.57 178.30 1a00 h MET 55 N -0.85 0.27 -0.18 1.57 2.07 -0.55 -2.65 114.93 114.61 1a00 h MET 55 Ca -0.02 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1a00 h MET 55 Cb 0.55 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1a00 h MET 55 CO 0.03 0.18 0.00 0.41 1.07 0.00 0.00 176.91 178.60 1a00 n GLY 56 N -1.52 1.28 3.66 8.32 0.00 -1.00 -4.88 105.19 111.05 1a00 n GLY 56 Ca 0.02 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1a00 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a00 s ASN 57 N -1.78 6.91 0.48 1.61 3.84 -1.00 -4.90 114.94 120.09 1a00 s ASN 57 Ca 0.33 1.77 0.25 0.00 0.21 0.00 0.00 52.86 55.41 1a00 s ASN 57 Cb 0.21 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.59 1a00 s ASN 57 CO 0.31 -0.78 1.97 1.55 -2.79 0.00 0.00 177.10 177.35 1a00 h PRO 58 N 8.39 0.00 -0.17 0.43 0.13 -1.91 -1.88 132.00 136.99 1a00 h PRO 58 Ca -0.28 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.66 1a00 h PRO 58 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1a00 h PRO 58 CO 0.97 0.18 -0.65 0.87 -0.23 0.00 0.00 178.00 179.14 1a00 h LYS 59 N 0.00 0.64 0.17 0.86 1.57 -1.90 -1.01 116.57 116.90 1a00 h LYS 59 Ca -0.00 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1a00 h LYS 59 Cb 0.50 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1a00 h LYS 59 CO 0.02 1.08 -0.22 0.28 -0.57 0.00 0.00 179.45 180.04 1a00 h VAL 60 N 0.46 0.51 -0.86 0.50 2.07 -1.70 0.04 116.25 117.28 1a00 h VAL 60 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1a00 h VAL 60 Cb 1.24 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1a00 h VAL 60 CO 0.13 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.39 1a00 h LYS 61 N -0.45 1.08 -0.20 1.57 1.57 -1.25 -1.13 116.57 117.77 1a00 h LYS 61 Ca 0.01 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1a00 h LYS 61 Cb 0.44 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1a00 h LYS 61 CO -0.08 0.71 -0.55 0.00 -0.57 0.00 0.00 179.45 178.96 1a00 h ALA 62 N 1.35 0.67 -0.11 3.86 0.00 -1.00 -2.15 119.26 121.87 1a00 h ALA 62 Ca 0.34 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1a00 h ALA 62 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a00 h ALA 62 CO -0.10 0.69 -0.57 1.25 0.00 0.00 0.00 179.25 180.52 1a00 h HIS 63 N 0.46 0.44 -0.56 0.00 -0.00 -0.76 -2.81 115.15 111.91 1a00 h HIS 63 Ca 0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 60.37 60.16 1a00 h HIS 63 Cb 1.10 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 1a00 h HIS 63 CO 0.05 0.83 0.10 0.78 -0.00 0.00 0.00 177.93 179.69 1a00 h GLY 64 N 1.31 0.96 1.03 5.26 0.00 -1.03 0.46 103.07 111.05 1a00 h GLY 64 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1a00 h GLY 64 CO 0.09 0.55 0.19 1.70 0.00 0.00 0.00 176.54 179.07 1a00 h LYS 65 N 0.85 1.01 0.40 4.80 3.64 -1.28 -0.86 116.57 125.13 1a00 h LYS 65 Ca 0.18 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1a00 h LYS 65 Cb 0.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1a00 h LYS 65 CO 0.01 0.89 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.67 1a00 h LYS 66 N 0.94 -0.52 -0.02 1.90 3.64 -1.17 0.69 116.57 122.02 1a00 h LYS 66 Ca 0.21 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1a00 h LYS 66 Cb 0.31 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1a00 h LYS 66 CO -0.00 -0.23 -0.14 0.28 -2.27 0.00 0.00 179.45 177.08 1a00 h VAL 67 N -0.78 0.64 0.00 2.00 2.07 -0.90 -1.31 116.25 117.97 1a00 h VAL 67 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1a00 h VAL 67 Cb 0.53 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1a00 h VAL 67 CO 0.09 0.00 -0.29 0.25 0.02 0.00 0.00 177.57 177.64 1a00 h LEU 68 N -0.23 0.00 -0.65 2.57 5.85 -1.18 0.10 115.31 121.77 1a00 h LEU 68 Ca 0.06 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1a00 h LEU 68 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1a00 h LEU 68 CO -0.15 0.29 -0.46 1.23 -0.34 0.00 0.00 178.44 179.00 1a00 h GLY 69 N 1.10 0.56 1.16 3.75 0.00 -0.23 -0.80 103.07 108.60 1a00 h GLY 69 Ca -0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 1a00 h GLY 69 CO 0.04 0.53 -0.55 0.00 0.00 0.00 0.00 176.54 176.56 1a00 h ALA 70 N 1.09 0.47 -0.06 3.60 0.00 -0.55 -1.88 119.26 121.93 1a00 h ALA 70 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1a00 h ALA 70 Cb 0.97 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1a00 h ALA 70 CO 0.09 0.68 -0.13 0.35 0.00 0.00 0.00 179.25 180.24 1a00 h PHE 71 N 0.68 -0.33 -0.58 0.00 3.04 -0.70 -2.47 116.94 116.58 1a00 h PHE 71 Ca 0.02 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.08 1a00 h PHE 71 Cb 1.16 0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.75 1a00 h PHE 71 CO 0.07 -0.19 0.18 0.77 -2.02 0.00 0.00 178.31 177.12 1a00 h SER 72 N -0.19 0.13 -0.56 0.41 0.02 -1.00 -2.51 113.55 109.84 1a00 h SER 72 Ca 0.07 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1a00 h SER 72 Cb 0.28 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1a00 h SER 72 CO -0.17 0.08 0.22 0.44 -1.14 0.00 0.00 176.83 176.26 1a00 h ASP 73 N 0.34 0.24 0.34 3.07 3.32 -0.93 -1.41 116.42 121.39 1a00 h ASP 73 Ca 0.29 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 1a00 h ASP 73 Cb 0.39 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1a00 h ASP 73 CO -0.33 0.16 -0.04 1.23 -1.72 0.00 0.00 179.24 178.54 1a00 h GLY 74 N 0.42 0.00 2.00 2.75 0.00 -1.02 -1.72 103.07 105.50 1a00 h GLY 74 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1a00 h GLY 74 CO -0.26 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.69 1a00 h LEU 75 N 0.00 0.00 -0.05 3.11 4.07 -1.12 -2.05 115.31 119.26 1a00 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a00 h LEU 75 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1a00 h LEU 75 CO 0.01 0.00 -0.25 0.00 -1.08 0.00 0.00 178.44 177.11 1a00 n ALA 76 N -2.07 2.97 -2.61 1.53 0.00 -0.65 -4.07 120.51 115.61 1a00 n ALA 76 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1a00 n ALA 76 Cb 0.30 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1a00 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a00 n HIS 77 N -1.40 1.74 0.18 0.00 8.25 -0.79 -4.91 115.22 118.29 1a00 n HIS 77 Ca 0.07 -2.83 0.18 0.00 -0.26 0.00 0.00 57.72 54.89 1a00 n HIS 77 Cb 0.33 -0.30 0.79 0.00 1.12 0.00 0.00 29.99 31.93 1a00 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a00 h LEU 78 N 2.87 0.00 -0.10 2.41 3.38 -1.65 -0.02 115.31 122.20 1a00 h LEU 78 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1a00 h LEU 78 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1a00 h LEU 78 CO 0.58 0.00 -0.98 0.44 0.09 0.00 0.00 178.44 178.57 1a00 h ASP 79 N 0.00 0.09 -2.14 -0.43 3.32 -1.91 -0.83 116.42 114.53 1a00 h ASP 79 Ca 0.12 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.51 1a00 h ASP 79 Cb 0.83 -0.03 -0.41 0.00 0.22 0.00 0.00 39.33 39.94 1a00 h ASP 79 CO -0.00 1.01 -0.83 -3.20 -1.72 0.00 0.00 179.24 174.50 1a00 n ASN 80 N -3.46 2.64 -0.05 6.45 5.15 -0.03 -4.66 115.26 121.29 1a00 n ASN 80 Ca -0.02 -3.26 -0.12 0.00 -0.60 0.00 0.00 54.58 50.58 1a00 n ASN 80 Cb 0.90 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.46 1a00 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a00 h LEU 81 N 3.62 0.27 -0.73 1.20 3.38 -1.73 -0.31 115.31 121.01 1a00 h LEU 81 Ca 0.13 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.91 1a00 h LEU 81 Cb 0.72 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 1a00 h LEU 81 CO 0.69 0.57 -0.04 0.11 0.09 0.00 0.00 178.44 179.85 1a00 h LYS 82 N -0.03 0.07 -0.21 1.13 1.57 -1.90 -0.50 116.57 116.70 1a00 h LYS 82 Ca 0.04 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1a00 h LYS 82 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1a00 h LYS 82 CO 0.01 0.05 -0.12 0.78 -0.57 0.00 0.00 179.45 179.60 1a00 h GLY 83 N 0.07 0.50 2.00 3.86 0.00 -1.92 -2.29 103.07 105.29 1a00 h GLY 83 Ca 0.38 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1a00 h GLY 83 CO -0.67 0.42 -0.12 -0.84 0.00 0.00 0.00 176.54 175.33 1a00 h THR 84 N 0.16 0.91 -0.25 4.70 2.02 0.29 -3.24 112.91 117.50 1a00 h THR 84 Ca 0.05 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1a00 h THR 84 Cb 0.63 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1a00 h THR 84 CO 0.04 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.54 1a00 n PHE 85 N -4.13 0.33 -0.17 3.16 3.72 -0.33 -4.73 117.46 115.31 1a00 n PHE 85 Ca -0.02 -0.46 -0.08 0.00 -0.05 0.00 0.00 57.45 56.84 1a00 n PHE 85 Cb 0.20 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 1a00 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a00 h ALA 86 N 1.61 0.63 -0.02 4.37 0.00 -1.44 0.38 119.26 124.80 1a00 h ALA 86 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a00 h ALA 86 Cb 0.65 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a00 h ALA 86 CO 0.00 0.18 0.01 1.15 0.00 0.00 0.00 179.25 180.59 1a00 h THR 87 N 0.65 1.13 -0.46 0.00 2.02 -1.85 -1.91 112.91 112.49 1a00 h THR 87 Ca 0.17 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1a00 h THR 87 Cb 0.10 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1a00 h THR 87 CO -0.02 0.10 0.24 -0.07 0.37 0.00 0.00 175.52 176.13 1a00 h LEU 88 N -0.13 0.56 -0.23 2.58 3.38 -1.84 -1.60 115.31 118.05 1a00 h LEU 88 Ca 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1a00 h LEU 88 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1a00 h LEU 88 CO -0.00 0.47 0.08 -1.28 0.09 0.00 0.00 178.44 177.81 1a00 h SER 89 N 0.64 0.32 -0.70 -0.43 0.87 0.17 -1.78 113.55 112.64 1a00 h SER 89 Ca 0.16 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1a00 h SER 89 Cb 0.04 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1a00 h SER 89 CO -0.02 0.41 0.46 -0.33 -0.53 0.00 0.00 176.83 176.82 1a00 h GLU 90 N 0.21 0.90 -0.23 2.24 5.08 -0.92 -2.20 114.58 119.65 1a00 h GLU 90 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1a00 h GLU 90 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a00 h GLU 90 CO -0.00 0.59 0.15 1.25 -1.00 0.00 0.00 179.01 180.00 1a00 h LEU 91 N 0.92 0.26 -1.14 1.33 5.85 -1.21 0.29 115.31 121.61 1a00 h LEU 91 Ca 0.26 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 1a00 h LEU 91 Cb -0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1a00 h LEU 91 CO -0.07 0.19 -0.28 0.45 -0.34 0.00 0.00 178.44 178.39 1a00 h HIS 92 N 0.31 0.28 0.00 1.25 3.86 -1.07 0.15 115.15 119.92 1a00 h HIS 92 Ca 0.08 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1a00 h HIS 92 Cb -0.03 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1a00 h HIS 92 CO -0.06 0.51 -0.00 0.00 0.86 0.00 0.00 177.93 179.24 1a00 h ASP 94 N -0.20 0.40 0.04 0.00 3.32 -1.05 -2.38 116.42 116.55 1a00 h ASP 94 Ca -0.00 -0.22 -0.34 0.00 0.02 0.00 0.00 57.03 56.49 1a00 h ASP 94 Cb 0.00 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1a00 h ASP 94 CO 0.00 0.51 -1.91 0.29 -1.72 0.00 0.00 179.24 176.41 1a00 n LYS 95 N -4.71 0.64 0.08 3.56 4.76 -0.06 -4.62 118.16 117.80 1a00 n LYS 95 Ca -0.03 0.36 0.09 0.00 -2.87 0.00 0.00 58.31 55.87 1a00 n LYS 95 Cb 0.17 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.68 1a00 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a00 n LEU 96 N -3.96 0.75 -3.54 -0.35 4.77 0.32 -4.99 117.00 110.00 1a00 n LEU 96 Ca -0.39 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 1a00 n LEU 96 Cb 0.87 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 42.02 1a00 n LEU 96 CO 0.23 -0.10 0.15 1.41 -1.33 0.00 0.00 177.39 177.75 1a00 n HIS 97 N -2.67 -2.45 -3.23 -1.77 8.25 0.18 -4.96 115.22 108.57 1a00 n HIS 97 Ca -0.03 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 58.00 1a00 n HIS 97 Cb 0.61 -4.97 -0.07 0.00 1.12 0.00 0.00 29.99 26.68 1a00 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a00 s VAL 98 N -3.36 5.08 0.15 1.59 1.01 -0.01 -5.02 120.40 119.84 1a00 s VAL 98 Ca 0.26 0.94 -0.31 0.00 0.00 0.00 0.00 61.98 62.87 1a00 s VAL 98 Cb -0.12 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1a00 s VAL 98 CO 0.74 0.12 1.65 -0.62 0.00 0.00 0.00 175.10 176.99 1a00 s ASP 99 N 1.36 6.52 0.05 3.32 -1.08 -1.26 -4.78 116.67 120.80 1a00 s ASP 99 Ca 0.23 2.67 0.06 0.00 -0.52 0.00 0.00 52.55 54.99 1a00 s ASP 99 Cb -0.16 -2.59 0.29 0.00 -1.46 0.00 0.00 42.92 39.01 1a00 s ASP 99 CO 0.09 -0.89 1.19 -0.81 0.52 0.00 0.00 175.17 175.27 1a00 n PRO 100 N 4.50 0.02 0.12 4.34 -0.04 -1.26 -1.72 135.00 140.96 1a00 n PRO 100 Ca 0.15 0.47 0.04 0.00 -0.04 0.00 0.00 63.50 64.12 1a00 n PRO 100 Cb 0.38 -1.57 0.46 0.00 -0.04 0.00 0.00 33.50 32.73 1a00 n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1a00 h GLU 101 N 0.00 0.26 -0.34 0.54 4.57 -1.99 -0.67 114.58 116.95 1a00 h GLU 101 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1a00 h GLU 101 Cb 0.06 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1a00 h GLU 101 CO 0.00 0.29 0.23 -0.91 -1.18 0.00 0.00 179.01 177.43 1a00 h ASN 102 N 0.25 0.39 0.05 1.04 2.35 -1.71 -1.10 115.58 116.86 1a00 h ASN 102 Ca 0.06 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1a00 h ASN 102 Cb 0.18 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1a00 h ASN 102 CO 0.00 0.28 -0.17 -0.26 -1.65 0.00 0.00 177.43 175.64 1a00 h PHE 103 N 0.46 0.24 -0.15 1.19 0.04 -1.31 -0.54 116.94 116.87 1a00 h PHE 103 Ca 0.12 -0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.64 1a00 h PHE 103 Cb -0.05 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.04 1a00 h PHE 103 CO 0.00 0.40 -0.77 0.00 -0.60 0.00 0.00 178.31 177.33 1a00 h ARG 104 N 0.22 0.78 -0.20 1.51 3.08 -1.23 -1.76 114.38 116.78 1a00 h ARG 104 Ca 0.04 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1a00 h ARG 104 Cb 0.43 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1a00 h ARG 104 CO 0.03 1.24 0.13 -0.07 -1.07 0.00 0.00 179.97 180.23 1a00 h LEU 105 N 0.53 0.22 -1.26 3.04 3.38 -1.07 -2.00 115.31 118.15 1a00 h LEU 105 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1a00 h LEU 105 Cb 1.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1a00 h LEU 105 CO 0.16 0.16 0.26 0.25 0.09 0.00 0.00 178.44 179.36 1a00 h LEU 106 N 0.27 0.69 -0.91 1.67 5.85 -1.08 -1.47 115.31 120.33 1a00 h LEU 106 Ca 0.07 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1a00 h LEU 106 Cb -0.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1a00 h LEU 106 CO -0.02 0.59 0.36 1.23 -0.34 0.00 0.00 178.44 180.26 1a00 h GLY 107 N 0.87 1.23 1.64 3.75 0.00 -0.75 -0.93 103.07 108.88 1a00 h GLY 107 Ca 0.19 -0.62 -0.21 0.00 0.00 0.00 0.00 47.33 46.69 1a00 h GLY 107 CO -0.02 0.59 -0.87 3.43 0.00 0.00 0.00 176.54 179.67 1a00 h ASN 108 N 1.13 0.42 -0.54 0.19 2.35 -0.90 -2.35 115.58 115.88 1a00 h ASN 108 Ca 0.27 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1a00 h ASN 108 Cb 0.15 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1a00 h ASN 108 CO -0.03 1.10 0.16 0.58 -1.65 0.00 0.00 177.43 177.59 1a00 h VAL 109 N 0.19 1.24 -0.81 2.81 2.07 -1.00 -2.19 116.25 118.56 1a00 h VAL 109 Ca -0.06 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1a00 h VAL 109 Cb 1.49 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1a00 h VAL 109 CO 0.14 0.30 0.53 0.25 0.02 0.00 0.00 177.57 178.81 1a00 h LEU 110 N 0.74 0.91 -0.85 2.57 5.85 -1.13 0.38 115.31 123.79 1a00 h LEU 110 Ca 0.17 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1a00 h LEU 110 Cb 0.29 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1a00 h LEU 110 CO -0.00 0.66 0.52 0.58 -0.34 0.00 0.00 178.44 179.85 1a00 h VAL 111 N 1.08 1.02 -0.56 1.05 2.07 -1.06 -0.02 116.25 119.83 1a00 h VAL 111 Ca 0.30 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1a00 h VAL 111 Cb -0.10 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1a00 h VAL 111 CO -0.07 0.17 0.02 0.00 0.02 0.00 0.00 177.57 177.71 1a00 h VAL 113 N 0.88 1.28 -0.58 0.00 2.07 0.24 -1.74 116.25 118.40 1a00 h VAL 113 Ca 0.17 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1a00 h VAL 113 Cb 0.49 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1a00 h VAL 113 CO 0.02 0.43 0.27 -0.07 0.02 0.00 0.00 177.57 178.24 1a00 h LEU 114 N 0.55 0.77 -0.56 2.57 3.38 -0.95 -0.42 115.31 120.64 1a00 h LEU 114 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a00 h LEU 114 Cb 0.72 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1a00 h LEU 114 CO 0.05 0.69 0.36 0.00 0.09 0.00 0.00 178.44 179.63 1a00 h ALA 115 N 1.11 0.71 -0.38 1.53 0.00 -1.28 0.11 119.26 121.05 1a00 h ALA 115 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a00 h ALA 115 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a00 h ALA 115 CO -0.02 0.17 0.16 1.25 0.00 0.00 0.00 179.25 180.80 1a00 h HIS 116 N 0.76 0.58 -0.40 0.00 -0.00 -1.03 0.21 115.15 115.26 1a00 h HIS 116 Ca 0.20 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.42 1a00 h HIS 116 Cb -0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1a00 h HIS 116 CO -0.03 0.52 -0.22 1.25 -0.00 0.00 0.00 177.93 179.45 1a00 h HIS 117 N 0.48 0.90 0.00 5.26 6.17 -0.77 -3.33 115.15 123.86 1a00 h HIS 117 Ca 0.13 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1a00 h HIS 117 Cb 0.18 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1a00 h HIS 117 CO -0.00 0.93 -1.02 1.19 0.71 0.00 0.00 177.93 179.74 1a00 n PHE 118 N -4.11 0.00 -4.57 5.26 3.72 0.34 -5.08 117.46 113.02 1a00 n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a00 n PHE 118 Cb 0.43 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1a00 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a00 n GLY 119 N 1.43 2.75 0.36 1.37 0.00 0.74 -2.25 105.19 109.59 1a00 n GLY 119 Ca 0.01 -0.37 0.17 0.00 0.00 0.00 0.00 46.02 45.83 1a00 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a00 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.15 116.57 118.45 1a00 h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1a00 h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1a00 h LYS 120 CO 0.00 0.00 -0.19 1.49 -2.00 0.00 0.00 179.45 178.75 1a00 h GLU 121 N 0.00 0.00 -3.86 0.07 4.81 -1.84 -3.31 114.58 110.45 1a00 h GLU 121 Ca 0.09 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.59 1a00 h GLU 121 Cb 1.00 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.27 1a00 h GLU 121 CO -0.00 0.19 2.41 0.34 -0.73 0.00 0.00 179.01 181.22 1a00 n PHE 122 N -3.37 3.35 -1.23 0.92 7.35 0.51 -4.93 117.46 120.06 1a00 n PHE 122 Ca 0.00 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 1a00 n PHE 122 Cb 0.40 -2.22 0.12 0.00 0.35 0.00 0.00 39.48 38.14 1a00 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a00 s THR 123 N 1.66 2.88 0.18 -2.13 -4.23 -1.25 -4.70 115.64 108.06 1a00 s THR 123 Ca 0.43 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1a00 s THR 123 Cb 0.10 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.26 1a00 s THR 123 CO -0.03 -0.37 1.59 -0.65 -0.54 0.00 0.00 174.62 174.62 1a00 h PRO 124 N -1.40 -0.19 -0.56 3.99 0.11 -1.93 0.96 132.00 132.97 1a00 h PRO 124 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1a00 h PRO 124 Cb 1.27 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 1a00 h PRO 124 CO 0.54 -0.13 0.36 -1.35 -0.21 0.00 0.00 178.00 177.21 1a00 h PRO 125 N -0.20 0.74 -0.25 1.05 0.11 -1.99 -1.00 132.00 130.47 1a00 h PRO 125 Ca 0.20 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1a00 h PRO 125 Cb 0.54 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1a00 h PRO 125 CO -0.61 0.50 -0.09 0.28 -0.21 0.00 0.00 178.00 177.87 1a00 h VAL 126 N 0.76 1.29 -0.43 3.15 2.07 -1.54 -2.21 116.25 119.34 1a00 h VAL 126 Ca 0.20 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1a00 h VAL 126 Cb -0.08 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1a00 h VAL 126 CO -0.04 0.35 0.22 -0.61 0.02 0.00 0.00 177.57 177.51 1a00 h GLN 127 N 0.23 0.42 -0.57 1.57 4.15 -0.27 -0.86 115.11 119.78 1a00 h GLN 127 Ca 0.06 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.56 1a00 h GLN 127 Cb 0.58 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.09 1a00 h GLN 127 CO 0.03 0.28 0.07 0.00 -1.93 0.00 0.00 178.83 177.28 1a00 h ALA 128 N 1.23 0.61 -0.42 3.38 0.00 -1.08 0.42 119.26 123.40 1a00 h ALA 128 Ca 0.18 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1a00 h ALA 128 Cb 0.09 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a00 h ALA 128 CO -0.13 -0.35 0.13 0.00 0.00 0.00 0.00 179.25 178.90 1a00 h ALA 129 N 1.48 0.55 -0.03 0.00 0.00 -1.12 -2.37 119.26 117.78 1a00 h ALA 129 Ca 0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1a00 h ALA 129 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a00 h ALA 129 CO -0.43 0.20 -0.20 1.88 0.00 0.00 0.00 179.25 180.71 1a00 h TYR 130 N 0.54 0.04 -0.51 0.00 0.05 -0.24 -1.14 116.97 115.71 1a00 h TYR 130 Ca 0.14 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 1a00 h TYR 130 Cb 0.26 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 1a00 h TYR 130 CO 0.01 0.24 -0.12 1.96 -1.05 0.00 0.00 178.16 179.20 1a00 h GLN 131 N 0.04 0.98 -0.38 4.88 1.08 0.24 -0.26 115.11 121.69 1a00 h GLN 131 Ca 0.01 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1a00 h GLN 131 Cb 0.37 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1a00 h GLN 131 CO 0.03 1.04 0.20 0.87 -0.95 0.00 0.00 178.83 180.02 1a00 h LYS 132 N 0.84 0.53 -0.14 1.46 1.57 -0.91 -2.37 116.57 117.55 1a00 h LYS 132 Ca 0.13 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1a00 h LYS 132 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1a00 h LYS 132 CO 0.05 0.44 0.02 0.28 -0.57 0.00 0.00 179.45 179.67 1a00 h VAL 133 N 0.48 1.22 -0.31 0.50 2.07 -0.95 -1.42 116.25 117.84 1a00 h VAL 133 Ca 0.13 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1a00 h VAL 133 Cb 0.07 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1a00 h VAL 133 CO -0.02 0.21 -0.05 -0.37 0.02 0.00 0.00 177.57 177.36 1a00 h VAL 134 N 0.01 1.21 -0.51 2.57 -1.51 -0.99 0.94 116.25 117.97 1a00 h VAL 134 Ca 0.04 -0.86 -0.07 0.00 -1.23 0.00 0.00 66.70 64.59 1a00 h VAL 134 Cb 0.31 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 1a00 h VAL 134 CO 0.00 0.29 0.06 0.00 -1.23 0.00 0.00 177.57 176.69 1a00 h ALA 135 N 1.49 0.68 -0.35 5.19 0.00 -1.40 -1.11 119.26 123.75 1a00 h ALA 135 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a00 h ALA 135 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1a00 h ALA 135 CO 0.02 0.43 0.15 0.78 0.00 0.00 0.00 179.25 180.63 1a00 h GLY 136 N 0.73 0.56 1.09 0.00 0.00 -0.53 -2.14 103.07 102.79 1a00 h GLY 136 Ca 0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 1a00 h GLY 136 CO 0.01 0.29 -0.21 -2.08 0.00 0.00 0.00 176.54 174.54 1a00 h VAL 137 N 0.43 1.27 -0.74 4.60 2.07 -0.78 -2.04 116.25 121.06 1a00 h VAL 137 Ca 0.12 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1a00 h VAL 137 Cb 0.17 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1a00 h VAL 137 CO -0.01 0.47 0.34 0.00 0.02 0.00 0.00 177.57 178.39 1a00 h ALA 138 N 0.85 0.95 -0.45 1.67 0.00 -1.03 -1.30 119.26 119.96 1a00 h ALA 138 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a00 h ALA 138 Cb 0.79 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a00 h ALA 138 CO 0.07 0.53 0.15 -0.91 0.00 0.00 0.00 179.25 179.09 1a00 h ASN 139 N 1.04 0.64 -0.72 0.00 2.35 -1.36 0.35 115.58 117.89 1a00 h ASN 139 Ca 0.25 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1a00 h ASN 139 Cb 0.14 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1a00 h ASN 139 CO -0.03 0.66 0.29 0.00 -1.65 0.00 0.00 177.43 176.70 1a00 h ALA 140 N 1.00 0.93 0.00 -0.83 0.00 -1.26 -1.17 119.26 117.93 1a00 h ALA 140 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a00 h ALA 140 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a00 h ALA 140 CO -0.01 0.55 -0.21 -0.07 0.00 0.00 0.00 179.25 179.52 1a00 h LEU 141 N 1.03 0.00 0.00 0.00 3.38 -0.89 -3.10 115.31 115.73 1a00 h LEU 141 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1a00 h LEU 141 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1a00 h LEU 141 CO -0.02 0.21 -0.65 0.00 0.09 0.00 0.00 178.44 178.07 1a00 n ALA 142 N -2.18 2.94 -0.31 1.53 0.00 0.08 -4.44 120.51 118.13 1a00 n ALA 142 Ca 0.01 -0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.38 1a00 n ALA 142 Cb 0.50 -1.16 0.44 0.00 0.00 0.00 0.00 19.45 19.22 1a00 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a00 h HIS 143 N 0.00 0.80 -0.49 0.00 6.17 -1.15 -2.69 115.15 117.79 1a00 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1a00 h HIS 143 Cb 0.75 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1a00 h HIS 143 CO 0.00 0.15 0.00 1.63 0.71 0.00 0.00 177.93 180.42 1a00 n LYS 144 N -4.66 2.29 -2.11 5.26 4.76 -1.26 -4.97 118.16 117.47 1a00 n LYS 144 Ca 0.23 -1.98 -0.35 0.00 -2.87 0.00 0.00 58.31 53.33 1a00 n LYS 144 Cb 0.71 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.47 1a00 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a00 s TYR 145 N -1.35 2.51 0.00 2.13 1.51 -1.02 -4.76 117.35 116.38 1a00 s TYR 145 Ca 0.38 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.97 1a00 s TYR 145 Cb 0.20 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1a00 s TYR 145 CO 0.27 -1.94 0.00 -2.39 -1.11 0.00 0.00 175.55 170.38