#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a01 s HIS 2 N 0.00 2.96 -0.03 3.17 2.46 -1.26 -4.51 115.29 118.08 1a01 s HIS 2 Ca 0.00 -0.25 0.04 0.00 0.47 0.00 0.00 55.06 55.32 1a01 s HIS 2 Cb 0.00 -3.71 -0.00 0.00 -0.13 0.00 0.00 32.58 28.74 1a01 s HIS 2 CO 0.00 -1.12 -0.15 -0.51 -2.47 0.00 0.00 174.74 170.49 1a01 s LEU 3 N 3.15 1.92 0.75 8.88 1.43 -1.26 -5.09 118.68 128.45 1a01 s LEU 3 Ca 0.22 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1a01 s LEU 3 Cb -0.16 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.27 1a01 s LEU 3 CO 0.16 0.14 1.08 0.42 0.23 0.00 0.00 176.35 178.39 1a01 s THR 4 N -0.04 3.50 0.37 5.49 -4.23 -1.26 -4.76 115.64 114.72 1a01 s THR 4 Ca -0.01 0.50 0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1a01 s THR 4 Cb -0.09 -3.04 0.34 0.00 1.34 0.00 0.00 72.50 71.04 1a01 s THR 4 CO 0.01 -0.63 1.86 -0.65 -0.54 0.00 0.00 174.62 174.67 1a01 h PRO 5 N -0.98 0.58 -0.41 3.99 0.11 -2.01 0.44 132.00 133.72 1a01 h PRO 5 Ca -0.44 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1a01 h PRO 5 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1a01 h PRO 5 CO 0.53 0.38 0.04 0.93 -0.21 0.00 0.00 178.00 179.67 1a01 h GLU 6 N 0.59 0.69 -0.34 1.05 4.39 -1.99 -1.31 114.58 117.66 1a01 h GLU 6 Ca 0.46 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 1a01 h GLU 6 Cb 0.87 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1a01 h GLU 6 CO -0.21 0.75 -0.14 0.93 -1.16 0.00 0.00 179.01 179.19 1a01 h GLU 7 N 0.54 0.70 -0.52 2.33 5.08 -1.49 -1.81 114.58 119.41 1a01 h GLU 7 Ca 0.12 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1a01 h GLU 7 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1a01 h GLU 7 CO 0.01 0.89 0.25 0.87 -1.00 0.00 0.00 179.01 180.03 1a01 h LYS 8 N 0.48 0.74 -0.22 2.33 1.57 -0.88 -2.05 116.57 118.54 1a01 h LYS 8 Ca 0.08 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1a01 h LYS 8 Cb 0.66 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1a01 h LYS 8 CO 0.04 0.62 -0.28 0.66 -0.57 0.00 0.00 179.45 179.92 1a01 h SER 9 N 0.69 0.44 -0.73 0.86 4.64 -1.18 -0.62 113.55 117.64 1a01 h SER 9 Ca 0.18 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1a01 h SER 9 Cb 0.12 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1a01 h SER 9 CO -0.02 0.71 0.30 0.00 -0.87 0.00 0.00 176.83 176.95 1a01 h ALA 10 N 1.33 1.14 0.28 5.18 0.00 -0.94 -1.24 119.26 125.01 1a01 h ALA 10 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1a01 h ALA 10 Cb 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a01 h ALA 10 CO 0.05 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 180.07 1a01 h VAL 11 N 1.07 0.73 -0.30 0.00 2.07 -1.05 -2.89 116.25 115.88 1a01 h VAL 11 Ca 0.25 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1a01 h VAL 11 Cb 0.19 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1a01 h VAL 11 CO -0.02 0.13 0.20 0.74 0.02 0.00 0.00 177.57 178.63 1a01 h THR 12 N -0.75 1.09 -0.60 2.57 2.02 -1.10 -2.35 112.91 113.79 1a01 h THR 12 Ca -0.04 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1a01 h THR 12 Cb 0.50 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1a01 h THR 12 CO 0.06 0.09 0.39 0.00 0.37 0.00 0.00 175.52 176.43 1a01 h ALA 13 N 1.10 0.77 -0.34 6.16 0.00 -1.30 -2.64 119.26 123.01 1a01 h ALA 13 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1a01 h ALA 13 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1a01 h ALA 13 CO -0.02 0.17 -0.32 1.25 0.00 0.00 0.00 179.25 180.33 1a01 h LEU 14 N 0.79 0.87 -1.86 0.00 6.46 -1.39 -3.12 115.31 117.07 1a01 h LEU 14 Ca 0.23 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1a01 h LEU 14 Cb -0.06 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.62 1a01 h LEU 14 CO -0.06 1.15 -0.11 -0.25 -0.62 0.00 0.00 178.44 178.55 1a01 h TRP 15 N 0.60 0.00 -0.04 1.25 2.91 -1.20 -2.05 115.95 117.42 1a01 h TRP 15 Ca 0.06 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.09 1a01 h TRP 15 Cb 0.90 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1a01 h TRP 15 CO 0.07 0.11 0.04 0.78 -1.03 0.00 0.00 178.44 178.40 1a01 h GLY 16 N 0.39 0.00 -0.91 2.65 0.00 -1.40 -2.02 103.07 101.78 1a01 h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a01 h GLY 16 CO 0.01 0.00 -0.38 0.28 0.00 0.00 0.00 176.54 176.45 1a01 n LYS 17 N -3.96 1.29 -2.84 4.80 5.02 -0.78 -4.95 118.16 116.74 1a01 n LYS 17 Ca -0.02 -1.03 -0.41 0.00 -2.02 0.00 0.00 58.31 54.83 1a01 n LYS 17 Cb 0.13 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1a01 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a01 s VAL 18 N -2.42 4.92 -0.51 -0.18 1.01 -0.76 -5.00 120.40 117.46 1a01 s VAL 18 Ca 0.21 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.73 1a01 s VAL 18 Cb 0.19 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1a01 s VAL 18 CO 0.53 0.15 0.94 0.21 0.00 0.00 0.00 175.10 176.93 1a01 s ASN 19 N 0.98 6.42 0.26 3.32 3.84 -1.26 -4.93 114.94 123.57 1a01 s ASN 19 Ca 0.45 -0.10 -0.05 0.00 0.21 0.00 0.00 52.86 53.37 1a01 s ASN 19 Cb -0.19 -2.45 0.30 0.00 -0.55 0.00 0.00 41.25 38.37 1a01 s ASN 19 CO 0.21 -1.15 1.94 0.58 -2.79 0.00 0.00 177.10 175.89 1a01 h VAL 20 N 6.06 1.25 0.15 -5.21 2.07 -1.95 -1.34 116.25 117.28 1a01 h VAL 20 Ca -0.25 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1a01 h VAL 20 Cb 1.07 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1a01 h VAL 20 CO 1.06 0.24 -0.34 0.44 0.02 0.00 0.00 177.57 178.99 1a01 h ASP 21 N 1.31 -0.97 0.04 0.57 3.32 -1.91 0.68 116.42 119.46 1a01 h ASP 21 Ca 0.35 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.51 1a01 h ASP 21 Cb -0.15 0.36 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1a01 h ASP 21 CO -0.08 -0.43 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.66 1a01 h GLU 22 N -0.58 -0.05 -0.41 3.56 5.08 -1.91 -2.45 114.58 117.81 1a01 h GLU 22 Ca 0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1a01 h GLU 22 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1a01 h GLU 22 CO -0.18 0.07 -0.26 0.28 -1.00 0.00 0.00 179.01 177.92 1a01 h VAL 23 N -0.17 1.28 -0.38 3.13 2.07 -1.25 -2.74 116.25 118.19 1a01 h VAL 23 Ca -0.01 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.16 1a01 h VAL 23 Cb 0.15 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1a01 h VAL 23 CO 0.01 0.48 0.05 1.23 0.02 0.00 0.00 177.57 179.36 1a01 h GLY 24 N 0.73 0.42 1.00 2.17 0.00 -0.86 0.11 103.07 106.64 1a01 h GLY 24 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1a01 h GLY 24 CO 0.07 -0.05 0.34 -1.33 0.00 0.00 0.00 176.54 175.57 1a01 h GLY 25 N 0.16 0.95 0.86 4.60 0.00 -1.40 -1.56 103.07 106.68 1a01 h GLY 25 Ca 0.18 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1a01 h GLY 25 CO -0.27 0.42 -0.01 0.83 0.00 0.00 0.00 176.54 177.52 1a01 h GLU 26 N 0.86 0.47 0.37 4.80 4.39 -1.14 -1.18 114.58 123.15 1a01 h GLU 26 Ca 0.22 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1a01 h GLU 26 Cb 0.06 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1a01 h GLU 26 CO -0.03 0.64 -0.18 0.00 -1.16 0.00 0.00 179.01 178.28 1a01 h ALA 27 N 0.82 -0.50 -0.73 3.43 0.00 -0.66 -0.07 119.26 121.54 1a01 h ALA 27 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1a01 h ALA 27 Cb 0.43 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1a01 h ALA 27 CO 0.01 -0.78 0.22 1.25 0.00 0.00 0.00 179.25 179.96 1a01 h LEU 28 N -0.50 1.06 -0.39 0.00 5.85 -1.29 -2.13 115.31 117.91 1a01 h LEU 28 Ca -0.05 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1a01 h LEU 28 Cb 0.38 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1a01 h LEU 28 CO 0.08 0.99 0.22 1.23 -0.34 0.00 0.00 178.44 180.63 1a01 h GLY 29 N 1.08 0.59 1.61 3.75 0.00 -1.03 -2.31 103.07 106.75 1a01 h GLY 29 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1a01 h GLY 29 CO -0.01 0.25 -0.03 3.21 0.00 0.00 0.00 176.54 179.96 1a01 h ARG 30 N 0.51 0.48 -0.21 4.80 3.08 -0.86 -1.92 114.38 120.25 1a01 h ARG 30 Ca 0.14 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1a01 h ARG 30 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1a01 h ARG 30 CO -0.02 0.54 0.13 1.25 -1.07 0.00 0.00 179.97 180.79 1a01 h LEU 31 N 0.46 0.21 -1.44 3.04 5.85 -0.96 0.30 115.31 122.77 1a01 h LEU 31 Ca 0.10 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1a01 h LEU 31 Cb 0.35 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1a01 h LEU 31 CO 0.01 0.16 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.92 1a01 h LEU 32 N 0.27 0.00 0.00 2.25 4.07 -1.15 0.23 115.31 120.98 1a01 h LEU 32 Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1a01 h LEU 32 Cb -0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1a01 h LEU 32 CO -0.03 0.28 -0.41 0.58 -1.08 0.00 0.00 178.44 177.78 1a01 h VAL 33 N 0.00 1.37 -0.06 1.22 2.07 -0.78 -3.26 116.25 116.81 1a01 h VAL 33 Ca -0.00 -2.18 -0.17 0.00 0.82 0.00 0.00 66.70 65.17 1a01 h VAL 33 Cb 0.54 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1a01 h VAL 33 CO 0.04 0.46 -0.71 0.58 0.02 0.00 0.00 177.57 177.96 1a01 h VAL 34 N -1.00 1.41 -2.59 2.57 2.07 -0.43 -3.36 116.25 114.91 1a01 h VAL 34 Ca -0.11 -2.18 -0.60 0.00 0.82 0.00 0.00 66.70 64.63 1a01 h VAL 34 Cb 1.02 2.14 -0.41 0.00 -1.52 0.00 0.00 31.29 32.53 1a01 h VAL 34 CO -0.07 0.65 -0.73 -1.22 0.02 0.00 0.00 177.57 176.22 1a01 n TYR 35 N -3.81 2.02 0.28 1.57 4.01 0.07 -4.98 117.16 116.31 1a01 n TYR 35 Ca -0.03 -3.97 0.15 0.00 -0.16 0.00 0.00 57.90 53.88 1a01 n TYR 35 Cb 0.69 -0.38 0.88 0.00 -0.31 0.00 0.00 39.34 40.21 1a01 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a01 h PRO 36 N 4.99 0.00 -0.42 -0.72 0.13 -1.72 -1.03 132.00 133.23 1a01 h PRO 36 Ca 0.18 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.43 1a01 h PRO 36 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1a01 h PRO 36 CO 0.64 0.00 0.31 0.00 -0.23 0.00 0.00 178.00 178.72 1a01 h ALA 37 N 1.95 2.39 0.00 -0.56 0.00 -1.91 0.45 119.26 121.58 1a01 h ALA 37 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a01 h ALA 37 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1a01 h ALA 37 CO -0.00 -0.53 0.00 1.79 0.00 0.00 0.00 179.25 180.51 1a01 h THR 38 N 0.00 0.00 0.00 0.00 1.35 -1.50 -2.44 112.91 110.32 1a01 h THR 38 Ca 0.20 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1a01 h THR 38 Cb 0.81 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1a01 h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1a01 h GLN 39 N 0.00 0.00 -0.01 4.72 4.20 -1.09 -2.79 115.11 120.14 1a01 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a01 h GLN 39 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1a01 h GLN 39 CO 0.00 0.00 0.05 0.07 -0.67 0.00 0.00 178.83 178.28 1a01 h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.64 -1.05 114.38 113.25 1a01 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a01 h ARG 40 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1a01 h ARG 40 CO 0.00 0.00 -0.20 1.19 0.10 0.00 0.00 179.97 181.06 1a01 n PHE 41 N -3.25 0.00 -2.49 4.08 3.72 -1.05 -4.48 117.46 113.99 1a01 n PHE 41 Ca -0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1a01 n PHE 41 Cb 0.12 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 1a01 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a01 n PHE 42 N -0.38 1.91 -0.24 1.38 3.72 -0.40 -4.88 117.46 118.57 1a01 n PHE 42 Ca 0.14 -2.19 0.11 0.00 -0.05 0.00 0.00 57.45 55.46 1a01 n PHE 42 Cb 0.36 -0.28 0.39 0.00 -0.94 0.00 0.00 39.48 39.01 1a01 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a01 h GLU 43 N 2.43 0.65 -0.18 -1.08 4.39 -1.79 -2.04 114.58 116.97 1a01 h GLU 43 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1a01 h GLU 43 Cb 1.38 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1a01 h GLU 43 CO 0.44 0.43 0.00 -1.13 -1.16 0.00 0.00 179.01 177.59 1a01 n SER 44 N -4.53 1.05 0.02 1.42 3.41 -1.26 -4.18 113.62 109.55 1a01 n SER 44 Ca 0.16 -1.91 0.13 0.00 -0.26 0.00 0.00 58.87 56.98 1a01 n SER 44 Cb 0.43 -0.12 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 1a01 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a01 n PHE 45 N 0.04 0.23 0.00 7.33 3.01 -0.77 -5.05 117.46 122.25 1a01 n PHE 45 Ca 0.09 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1a01 n PHE 45 Cb 0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1a01 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a01 n GLY 46 N 1.44 0.10 3.64 1.37 0.00 -1.26 -4.70 105.19 105.80 1a01 n GLY 46 Ca 0.06 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1a01 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a01 s ASP 47 N -4.00 6.86 -0.05 1.61 2.15 -1.26 -4.89 116.67 117.09 1a01 s ASP 47 Ca 0.00 1.32 0.07 0.00 0.43 0.00 0.00 52.55 54.37 1a01 s ASP 47 Cb 0.00 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.18 1a01 s ASP 47 CO 0.00 -0.90 1.01 0.18 -0.17 0.00 0.00 175.17 175.30 1a01 n LEU 48 N 7.01 0.96 0.19 -1.34 4.77 -1.26 -4.08 117.00 123.25 1a01 n LEU 48 Ca 0.13 -1.73 0.03 0.00 -0.03 0.00 0.00 56.01 54.42 1a01 n LEU 48 Cb 0.46 -0.15 0.38 0.00 -2.33 0.00 0.00 43.42 41.78 1a01 n LEU 48 CO 0.59 0.41 0.76 0.77 -1.33 0.00 0.00 177.39 178.59 1a01 h SER 49 N 0.00 0.02 -4.44 -1.43 4.64 -1.93 -3.43 113.55 106.97 1a01 h SER 49 Ca 0.00 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 1a01 h SER 49 Cb 1.17 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1a01 h SER 49 CO 0.00 0.35 -0.70 0.42 -0.87 0.00 0.00 176.83 176.03 1a01 s THR 50 N -4.30 0.81 0.26 2.95 -4.23 -1.26 -5.03 115.64 104.84 1a01 s THR 50 Ca -0.03 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1a01 s THR 50 Cb 0.15 -1.74 0.23 0.00 1.34 0.00 0.00 72.50 72.48 1a01 s THR 50 CO 0.72 -0.83 1.79 -0.65 -0.54 0.00 0.00 174.62 175.11 1a01 h PRO 51 N 2.91 0.70 -0.46 3.99 0.11 -1.98 0.34 132.00 137.61 1a01 h PRO 51 Ca -0.36 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1a01 h PRO 51 Cb 1.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1a01 h PRO 51 CO 0.64 0.46 0.06 -0.44 -0.21 0.00 0.00 178.00 178.51 1a01 h ASP 52 N 0.72 0.75 0.20 -2.05 3.32 -1.98 0.48 116.42 117.86 1a01 h ASP 52 Ca 0.44 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1a01 h ASP 52 Cb 0.53 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1a01 h ASP 52 CO -0.31 0.83 -0.10 0.00 -1.72 0.00 0.00 179.24 177.95 1a01 h ALA 53 N 0.94 -0.27 0.24 3.45 0.00 -1.67 -1.75 119.26 120.20 1a01 h ALA 53 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a01 h ALA 53 Cb 0.42 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1a01 h ALA 53 CO 0.01 -0.58 -0.19 0.28 0.00 0.00 0.00 179.25 178.77 1a01 h VAL 54 N -0.42 0.59 -0.53 0.00 2.07 -0.12 -2.61 116.25 115.23 1a01 h VAL 54 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1a01 h VAL 54 Cb 0.32 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1a01 h VAL 54 CO 0.05 0.00 0.27 0.24 0.02 0.00 0.00 177.57 178.15 1a01 h MET 55 N -0.44 0.73 -0.40 1.57 2.07 -0.02 -2.74 114.93 115.69 1a01 h MET 55 Ca -0.01 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1a01 h MET 55 Cb 0.39 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 1a01 h MET 55 CO -0.01 0.55 0.00 0.41 1.07 0.00 0.00 176.91 178.93 1a01 n GLY 56 N -1.24 1.28 3.66 8.32 0.00 -0.66 -4.88 105.19 111.67 1a01 n GLY 56 Ca 0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1a01 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a01 s ASN 57 N -1.30 6.78 0.37 1.61 3.84 -0.99 -4.89 114.94 120.36 1a01 s ASN 57 Ca 0.36 2.05 0.06 0.00 0.21 0.00 0.00 52.86 55.54 1a01 s ASN 57 Cb 0.20 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 39.07 1a01 s ASN 57 CO 0.27 -0.85 1.93 1.55 -2.79 0.00 0.00 177.10 177.22 1a01 h PRO 58 N 8.87 0.46 -0.29 0.43 0.13 -1.91 -1.31 132.00 138.38 1a01 h PRO 58 Ca -0.35 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 1a01 h PRO 58 Cb 1.15 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1a01 h PRO 58 CO 0.95 0.46 -0.37 0.87 -0.23 0.00 0.00 178.00 179.68 1a01 h LYS 59 N 0.45 0.67 0.14 0.86 6.56 -1.90 -0.21 116.57 123.14 1a01 h LYS 59 Ca 0.10 -0.33 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 1a01 h LYS 59 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1a01 h LYS 59 CO 0.00 0.93 -0.07 0.28 -2.06 0.00 0.00 179.45 178.54 1a01 h VAL 60 N 0.56 0.96 -0.97 0.50 2.07 -1.77 -1.61 116.25 115.98 1a01 h VAL 60 Ca 0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1a01 h VAL 60 Cb 0.89 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1a01 h VAL 60 CO 0.08 0.10 0.61 0.11 0.02 0.00 0.00 177.57 178.49 1a01 h LYS 61 N -0.39 1.30 -0.35 1.57 1.57 -1.19 0.13 116.57 119.22 1a01 h LYS 61 Ca -0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1a01 h LYS 61 Cb 0.31 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1a01 h LYS 61 CO 0.03 0.89 0.11 0.00 -0.57 0.00 0.00 179.45 179.90 1a01 h ALA 62 N 1.35 0.46 -0.46 3.86 0.00 -0.98 -1.74 119.26 121.75 1a01 h ALA 62 Ca 0.35 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a01 h ALA 62 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1a01 h ALA 62 CO -0.07 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.52 1a01 h HIS 63 N 0.41 0.90 -0.79 0.00 -0.00 -1.03 -2.54 115.15 112.10 1a01 h HIS 63 Ca 0.11 -0.16 0.11 0.00 -0.00 0.00 0.00 60.37 60.43 1a01 h HIS 63 Cb 0.25 -0.23 -0.08 0.00 -0.00 0.00 0.00 27.41 27.35 1a01 h HIS 63 CO 0.01 0.87 0.42 0.78 -0.00 0.00 0.00 177.93 180.00 1a01 h GLY 64 N 0.67 1.22 1.21 5.26 0.00 -0.61 -0.91 103.07 109.92 1a01 h GLY 64 Ca 0.13 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1a01 h GLY 64 CO 0.03 0.06 -0.05 1.70 0.00 0.00 0.00 176.54 178.28 1a01 h LYS 65 N 0.68 0.94 -0.20 4.80 3.64 -1.01 -2.16 116.57 123.26 1a01 h LYS 65 Ca 0.40 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1a01 h LYS 65 Cb 0.43 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1a01 h LYS 65 CO -0.28 0.96 0.01 0.87 -2.27 0.00 0.00 179.45 178.74 1a01 h LYS 66 N 0.85 0.34 0.09 1.90 1.57 -0.99 -1.88 116.57 118.44 1a01 h LYS 66 Ca 0.15 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a01 h LYS 66 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1a01 h LYS 66 CO 0.03 0.52 -0.04 0.28 -0.57 0.00 0.00 179.45 179.67 1a01 h VAL 67 N 0.11 0.97 0.00 0.50 2.07 -1.09 -2.16 116.25 116.65 1a01 h VAL 67 Ca 0.06 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1a01 h VAL 67 Cb 0.36 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1a01 h VAL 67 CO 0.01 0.05 -0.37 -0.07 0.02 0.00 0.00 177.57 177.21 1a01 h LEU 68 N -0.21 0.00 -0.59 2.57 3.38 -1.43 -0.14 115.31 118.88 1a01 h LEU 68 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1a01 h LEU 68 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1a01 h LEU 68 CO 0.02 0.37 0.20 1.23 0.09 0.00 0.00 178.44 180.35 1a01 h GLY 69 N 1.22 0.98 1.40 0.83 0.00 -1.24 1.24 103.07 107.50 1a01 h GLY 69 Ca -0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 1a01 h GLY 69 CO 0.05 0.54 -0.50 0.00 0.00 0.00 0.00 176.54 176.63 1a01 h ALA 70 N 1.06 0.69 -0.56 3.60 0.00 -0.83 -2.45 119.26 120.78 1a01 h ALA 70 Ca 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1a01 h ALA 70 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1a01 h ALA 70 CO -0.01 0.68 0.30 0.35 0.00 0.00 0.00 179.25 180.57 1a01 h PHE 71 N 0.50 0.77 -0.76 0.00 3.04 -0.56 -2.46 116.94 117.47 1a01 h PHE 71 Ca 0.02 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1a01 h PHE 71 Cb 1.04 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.27 1a01 h PHE 71 CO 0.05 0.57 0.50 0.77 -2.02 0.00 0.00 178.31 178.18 1a01 h SER 72 N 0.75 0.87 -0.90 0.41 0.02 0.20 -2.29 113.55 112.62 1a01 h SER 72 Ca 0.20 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1a01 h SER 72 Cb 0.06 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1a01 h SER 72 CO -0.03 0.63 0.59 0.44 -1.14 0.00 0.00 176.83 177.32 1a01 h ASP 73 N 1.02 1.01 0.58 3.07 5.19 -1.02 -2.31 116.42 123.95 1a01 h ASP 73 Ca 0.28 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 1a01 h ASP 73 Cb -0.11 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.15 1a01 h ASP 73 CO -0.06 0.72 -0.21 1.23 -3.12 0.00 0.00 179.24 177.79 1a01 h GLY 74 N 1.18 0.00 2.00 2.75 0.00 -1.10 -1.96 103.07 105.95 1a01 h GLY 74 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1a01 h GLY 74 CO -0.09 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.67 1a01 h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -1.23 -1.18 115.31 120.08 1a01 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a01 h LEU 75 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1a01 h LEU 75 CO 0.03 0.19 -0.08 0.00 -1.08 0.00 0.00 178.44 177.50 1a01 n ALA 76 N -2.31 2.44 -2.59 1.53 0.00 -0.74 -3.99 120.51 114.85 1a01 n ALA 76 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1a01 n ALA 76 Cb 0.31 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1a01 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a01 n HIS 77 N -1.88 1.91 0.30 0.00 8.25 -0.48 -4.90 115.22 118.43 1a01 n HIS 77 Ca 0.06 -2.78 0.18 0.00 -0.26 0.00 0.00 57.72 54.91 1a01 n HIS 77 Cb 0.39 -0.27 0.99 0.00 1.12 0.00 0.00 29.99 32.21 1a01 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a01 h LEU 78 N 2.79 0.00 -0.29 2.41 4.07 -1.61 -0.69 115.31 121.98 1a01 h LEU 78 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1a01 h LEU 78 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1a01 h LEU 78 CO 0.58 0.00 0.00 -2.24 -1.08 0.00 0.00 178.44 175.70 1a01 h ASP 79 N 0.00 0.00 -1.28 -0.43 2.03 -1.89 1.47 116.42 116.33 1a01 h ASP 79 Ca 0.01 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.89 1a01 h ASP 79 Cb 0.09 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 38.29 1a01 h ASP 79 CO -0.00 0.00 -0.90 -3.20 -1.03 0.00 0.00 179.24 174.11 1a01 n ASN 80 N -2.67 -0.73 -0.02 4.15 5.15 -0.27 -3.30 115.26 117.57 1a01 n ASN 80 Ca 0.04 -3.03 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 1a01 n ASN 80 Cb 0.42 0.27 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 1a01 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a01 h LEU 81 N 3.65 0.14 -0.47 1.20 3.38 -1.74 -0.62 115.31 120.87 1a01 h LEU 81 Ca 0.00 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1a01 h LEU 81 Cb 0.96 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1a01 h LEU 81 CO 0.40 0.28 0.15 0.11 0.09 0.00 0.00 178.44 179.46 1a01 h LYS 82 N 0.00 0.30 -0.54 1.13 1.57 -1.90 0.12 116.57 117.24 1a01 h LYS 82 Ca 0.03 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1a01 h LYS 82 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1a01 h LYS 82 CO -0.00 0.20 0.05 0.78 -0.57 0.00 0.00 179.45 179.91 1a01 h GLY 83 N 0.31 0.99 1.00 3.86 0.00 -1.93 -1.90 103.07 105.39 1a01 h GLY 83 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a01 h GLY 83 CO -0.25 0.64 0.35 -0.84 0.00 0.00 0.00 176.54 176.44 1a01 h THR 84 N 0.80 1.16 -0.69 4.70 2.02 -0.07 -3.22 112.91 117.60 1a01 h THR 84 Ca 0.16 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1a01 h THR 84 Cb 0.46 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1a01 h THR 84 CO 0.02 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.56 1a01 n PHE 85 N -4.67 0.92 -0.11 3.16 3.72 0.31 -4.68 117.46 116.11 1a01 n PHE 85 Ca 0.03 -0.46 -0.05 0.00 -0.05 0.00 0.00 57.45 56.92 1a01 n PHE 85 Cb 0.04 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1a01 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a01 h ALA 86 N 4.27 0.41 -0.02 4.37 0.00 -1.36 0.23 119.26 127.16 1a01 h ALA 86 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a01 h ALA 86 Cb 0.93 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a01 h ALA 86 CO 0.00 -0.33 0.01 1.15 0.00 0.00 0.00 179.25 180.08 1a01 h THR 87 N 0.19 1.05 -0.07 0.00 2.02 -1.85 -1.32 112.91 112.94 1a01 h THR 87 Ca 0.18 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1a01 h THR 87 Cb 0.22 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1a01 h THR 87 CO -0.25 0.04 -0.27 -0.07 0.37 0.00 0.00 175.52 175.34 1a01 h LEU 88 N -0.04 0.12 -0.04 2.58 3.38 -1.84 -0.35 115.31 119.11 1a01 h LEU 88 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a01 h LEU 88 Cb 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a01 h LEU 88 CO -0.00 0.39 0.03 -1.28 0.09 0.00 0.00 178.44 177.67 1a01 h SER 89 N 0.11 0.05 -0.67 -0.43 0.87 -0.12 -0.63 113.55 112.73 1a01 h SER 89 Ca 0.02 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1a01 h SER 89 Cb 0.54 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1a01 h SER 89 CO 0.04 0.06 0.10 -0.33 -0.53 0.00 0.00 176.83 176.17 1a01 h GLU 90 N 0.04 1.11 -0.19 2.24 5.08 -0.99 -2.13 114.58 119.74 1a01 h GLU 90 Ca 0.02 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1a01 h GLU 90 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1a01 h GLU 90 CO -0.00 1.02 0.08 1.25 -1.00 0.00 0.00 179.01 180.35 1a01 h LEU 91 N 1.04 0.11 -1.56 1.33 5.85 -0.81 -0.07 115.31 121.19 1a01 h LEU 91 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1a01 h LEU 91 Cb 0.45 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1a01 h LEU 91 CO 0.01 0.09 -0.10 0.45 -0.34 0.00 0.00 178.44 178.55 1a01 h HIS 92 N 0.18 0.15 0.00 1.25 3.86 -0.97 -0.70 115.15 118.92 1a01 h HIS 92 Ca 0.08 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1a01 h HIS 92 Cb 0.03 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1a01 h HIS 92 CO -0.10 0.26 -0.10 0.00 0.86 0.00 0.00 177.93 178.85 1a01 h ASP 94 N -1.00 0.80 0.00 0.00 3.32 -1.05 -3.10 116.42 115.38 1a01 h ASP 94 Ca -0.00 -0.47 -0.38 0.00 0.02 0.00 0.00 57.03 56.20 1a01 h ASP 94 Cb 0.12 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1a01 h ASP 94 CO -0.00 1.10 -2.37 0.29 -1.72 0.00 0.00 179.24 176.54 1a01 n LYS 95 N -4.23 0.58 0.06 3.56 4.76 -0.37 -4.71 118.16 117.81 1a01 n LYS 95 Ca -0.04 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.56 1a01 n LYS 95 Cb 0.49 -1.46 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 1a01 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a01 h LEU 96 N -0.25 0.00 -1.03 -0.35 3.38 -1.35 -3.49 115.31 112.22 1a01 h LEU 96 Ca -0.56 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.04 1a01 h LEU 96 Cb 1.75 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.64 1a01 h LEU 96 CO -0.17 0.63 -0.67 1.41 0.09 0.00 0.00 178.44 179.73 1a01 n HIS 97 N -3.04 -2.63 -3.33 1.13 8.25 -0.40 -4.97 115.22 110.24 1a01 n HIS 97 Ca -0.06 0.96 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 1a01 n HIS 97 Cb 0.84 -4.89 -0.08 0.00 1.12 0.00 0.00 29.99 26.98 1a01 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1a01 s VAL 98 N -3.31 5.15 0.10 1.59 1.01 -0.70 -5.02 120.40 119.21 1a01 s VAL 98 Ca 0.44 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.88 1a01 s VAL 98 Cb -0.20 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1a01 s VAL 98 CO 0.70 0.18 1.86 -0.62 0.00 0.00 0.00 175.10 177.22 1a01 s ASP 99 N 1.32 6.43 0.46 3.32 -1.08 -1.26 -4.77 116.67 121.09 1a01 s ASP 99 Ca 0.19 2.73 0.30 0.00 -0.52 0.00 0.00 52.55 55.25 1a01 s ASP 99 Cb -0.15 -2.56 1.63 0.00 -1.46 0.00 0.00 42.92 40.38 1a01 s ASP 99 CO 0.09 -1.02 1.91 -0.65 0.52 0.00 0.00 175.17 176.02 1a01 h PRO 100 N 9.13 0.00 -0.32 4.34 0.11 -1.97 -1.64 132.00 141.64 1a01 h PRO 100 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1a01 h PRO 100 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1a01 h PRO 100 CO 0.95 0.00 0.22 1.49 -0.21 0.00 0.00 178.00 180.45 1a01 h GLU 101 N 0.00 0.14 0.00 1.05 4.57 -1.98 0.05 114.58 118.41 1a01 h GLU 101 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1a01 h GLU 101 Cb 0.05 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1a01 h GLU 101 CO 0.00 0.09 -0.07 -0.91 -1.18 0.00 0.00 179.01 176.94 1a01 h ASN 102 N 0.15 0.00 -0.50 1.04 4.21 -1.67 -2.26 115.58 116.54 1a01 h ASN 102 Ca 0.15 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.58 1a01 h ASN 102 Cb 0.40 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 1a01 h ASN 102 CO -0.02 0.07 0.04 -0.26 -1.29 0.00 0.00 177.43 175.97 1a01 h PHE 103 N 0.00 0.97 -0.39 1.19 0.04 -1.17 -2.10 116.94 115.49 1a01 h PHE 103 Ca -0.00 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.54 1a01 h PHE 103 Cb 0.15 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1a01 h PHE 103 CO 0.00 0.86 -0.14 0.00 -0.60 0.00 0.00 178.31 178.43 1a01 h ARG 104 N 0.85 0.78 -0.33 1.51 -0.00 -1.49 -1.92 114.38 113.79 1a01 h ARG 104 Ca 0.17 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.98 59.32 1a01 h ARG 104 Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.37 1a01 h ARG 104 CO 0.02 0.94 0.19 -0.07 0.00 0.00 0.00 179.97 181.05 1a01 h LEU 105 N 0.58 0.40 -0.62 3.04 3.38 -1.30 -2.14 115.31 118.65 1a01 h LEU 105 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a01 h LEU 105 Cb 0.68 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1a01 h LEU 105 CO 0.05 0.35 0.37 0.25 0.09 0.00 0.00 178.44 179.55 1a01 h LEU 106 N 0.42 0.74 -0.63 1.67 5.85 -1.36 -0.00 115.31 122.00 1a01 h LEU 106 Ca 0.12 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1a01 h LEU 106 Cb 0.03 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1a01 h LEU 106 CO -0.02 0.58 0.30 1.23 -0.34 0.00 0.00 178.44 180.19 1a01 h GLY 107 N 0.84 0.91 1.03 3.75 0.00 -1.14 0.46 103.07 108.91 1a01 h GLY 107 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 1a01 h GLY 107 CO -0.04 0.06 -0.36 3.43 0.00 0.00 0.00 176.54 179.63 1a01 h ASN 108 N 0.54 0.85 -0.69 0.19 2.35 -1.03 -2.17 115.58 115.62 1a01 h ASN 108 Ca 0.30 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 1a01 h ASN 108 Cb 0.29 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1a01 h ASN 108 CO -0.24 1.16 0.16 0.58 -1.65 0.00 0.00 177.43 177.45 1a01 h VAL 109 N 0.55 1.26 -0.94 2.81 2.07 -0.62 -2.31 116.25 119.07 1a01 h VAL 109 Ca 0.04 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1a01 h VAL 109 Cb 0.95 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1a01 h VAL 109 CO 0.09 0.37 0.62 0.25 0.02 0.00 0.00 177.57 178.91 1a01 h LEU 110 N 1.03 1.05 -0.67 2.57 5.85 0.11 -1.83 115.31 123.42 1a01 h LEU 110 Ca 0.21 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1a01 h LEU 110 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1a01 h LEU 110 CO 0.00 0.75 0.44 0.58 -0.34 0.00 0.00 178.44 179.87 1a01 h VAL 111 N 1.24 1.18 -0.73 1.05 2.07 -0.94 -1.21 116.25 118.90 1a01 h VAL 111 Ca 0.36 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1a01 h VAL 111 Cb -0.09 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 1a01 h VAL 111 CO -0.09 0.17 0.45 0.00 0.02 0.00 0.00 177.57 178.11 1a01 h VAL 113 N 0.85 1.26 -0.58 0.00 2.07 -0.72 -0.85 116.25 118.28 1a01 h VAL 113 Ca 0.31 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1a01 h VAL 113 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1a01 h VAL 113 CO -0.14 0.37 0.19 -0.07 0.02 0.00 0.00 177.57 177.94 1a01 h LEU 114 N 0.74 0.84 -0.82 2.57 3.38 -1.00 0.12 115.31 121.14 1a01 h LEU 114 Ca 0.14 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1a01 h LEU 114 Cb 0.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1a01 h LEU 114 CO 0.02 0.82 0.08 0.00 0.09 0.00 0.00 178.44 179.46 1a01 h ALA 115 N 1.05 1.02 -0.35 1.53 0.00 -0.97 0.28 119.26 121.82 1a01 h ALA 115 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1a01 h ALA 115 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a01 h ALA 115 CO -0.01 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.20 1a01 h HIS 116 N 0.91 0.59 -0.08 0.00 -0.00 -0.75 -0.12 115.15 115.70 1a01 h HIS 116 Ca 0.18 -0.07 -0.09 0.00 -0.00 0.00 0.00 60.37 60.39 1a01 h HIS 116 Cb 0.42 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1a01 h HIS 116 CO 0.03 0.60 -0.29 1.25 -0.00 0.00 0.00 177.93 179.51 1a01 h HIS 117 N 0.42 0.45 0.00 5.26 6.17 -0.64 -3.36 115.15 123.45 1a01 h HIS 117 Ca 0.11 -0.19 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1a01 h HIS 117 Cb 0.30 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1a01 h HIS 117 CO 0.02 0.91 -0.73 0.74 0.71 0.00 0.00 177.93 179.58 1a01 h PHE 118 N -0.13 0.00 0.00 5.26 0.04 -0.99 -3.50 116.94 117.62 1a01 h PHE 118 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1a01 h PHE 118 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1a01 h PHE 118 CO 0.12 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 1a01 n GLY 119 N 1.30 3.18 0.46 -1.45 0.00 -0.06 -2.80 105.19 105.82 1a01 n GLY 119 Ca 0.02 -0.15 0.28 0.00 0.00 0.00 0.00 46.02 46.17 1a01 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a01 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.79 116.57 119.10 1a01 h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1a01 h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1a01 h LYS 120 CO 0.00 0.00 -0.17 0.93 -2.00 0.00 0.00 179.45 178.21 1a01 h GLU 121 N 0.00 0.00 -4.01 0.07 5.08 -1.92 -3.32 114.58 110.48 1a01 h GLU 121 Ca 0.40 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 58.03 1a01 h GLU 121 Cb 1.70 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.83 1a01 h GLU 121 CO -0.00 0.17 2.19 0.34 -1.00 0.00 0.00 179.01 180.70 1a01 n PHE 122 N -3.51 3.55 -1.51 4.33 7.35 0.27 -4.93 117.46 123.01 1a01 n PHE 122 Ca -0.01 -2.93 -0.30 0.00 -0.76 0.00 0.00 57.45 53.45 1a01 n PHE 122 Cb 0.32 -2.18 0.10 0.00 0.35 0.00 0.00 39.48 38.06 1a01 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a01 s THR 123 N 1.54 3.02 0.21 -2.13 -4.23 -1.25 -4.72 115.64 108.07 1a01 s THR 123 Ca 0.43 0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 61.14 1a01 s THR 123 Cb 0.08 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 71.08 1a01 s THR 123 CO -0.01 -0.43 1.65 -0.65 -0.54 0.00 0.00 174.62 174.63 1a01 h PRO 124 N -1.14 0.05 -0.52 3.99 0.11 -1.93 0.27 132.00 132.81 1a01 h PRO 124 Ca -0.47 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1a01 h PRO 124 Cb 1.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1a01 h PRO 124 CO 0.59 0.03 0.12 -1.35 -0.21 0.00 0.00 178.00 177.18 1a01 h PRO 125 N 0.05 0.80 -0.35 1.05 0.11 -1.99 -1.00 132.00 130.66 1a01 h PRO 125 Ca 0.30 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 1a01 h PRO 125 Cb 0.47 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1a01 h PRO 125 CO -0.57 0.72 -0.03 0.28 -0.21 0.00 0.00 178.00 178.19 1a01 h VAL 126 N 0.77 1.27 -0.58 3.15 2.07 -1.35 -2.50 116.25 119.08 1a01 h VAL 126 Ca 0.17 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1a01 h VAL 126 Cb 0.29 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1a01 h VAL 126 CO -0.00 0.35 0.37 -0.61 0.02 0.00 0.00 177.57 177.69 1a01 h GLN 127 N 0.45 0.71 -0.90 1.57 4.15 -0.16 -1.83 115.11 119.11 1a01 h GLN 127 Ca 0.10 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1a01 h GLN 127 Cb 0.51 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1a01 h GLN 127 CO 0.02 0.47 0.54 0.00 -1.93 0.00 0.00 178.83 177.94 1a01 h ALA 128 N 1.23 1.30 -0.49 3.38 0.00 -1.04 0.44 119.26 124.08 1a01 h ALA 128 Ca 0.22 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1a01 h ALA 128 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a01 h ALA 128 CO -0.07 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 179.16 1a01 h ALA 129 N 1.47 0.68 -0.16 0.00 0.00 -1.00 -2.45 119.26 117.81 1a01 h ALA 129 Ca 0.43 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1a01 h ALA 129 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a01 h ALA 129 CO -0.24 0.66 -0.38 1.88 0.00 0.00 0.00 179.25 181.18 1a01 h TYR 130 N 0.86 0.41 -0.44 0.00 0.05 -0.49 -2.13 116.97 115.22 1a01 h TYR 130 Ca 0.11 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1a01 h TYR 130 Cb 0.78 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1a01 h TYR 130 CO 0.05 0.68 -0.01 1.96 -1.05 0.00 0.00 178.16 179.80 1a01 h GLN 131 N 0.30 0.72 -0.30 4.88 1.08 0.17 -0.79 115.11 121.17 1a01 h GLN 131 Ca 0.03 -0.19 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 1a01 h GLN 131 Cb 0.80 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1a01 h GLN 131 CO 0.06 0.74 -0.45 0.87 -0.95 0.00 0.00 178.83 179.11 1a01 h LYS 132 N 0.68 0.78 -0.05 1.46 1.57 -1.13 -2.84 116.57 117.04 1a01 h LYS 132 Ca 0.13 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1a01 h LYS 132 Cb 0.43 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1a01 h LYS 132 CO 0.02 1.06 0.00 0.28 -0.57 0.00 0.00 179.45 180.24 1a01 h VAL 133 N 0.62 1.23 -0.15 0.50 2.07 -0.82 -2.02 116.25 117.68 1a01 h VAL 133 Ca 0.04 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1a01 h VAL 133 Cb 1.01 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1a01 h VAL 133 CO 0.10 0.19 -0.16 -0.37 0.02 0.00 0.00 177.57 177.34 1a01 h VAL 134 N -0.19 1.19 -0.31 2.57 -1.51 -1.21 -0.79 116.25 116.01 1a01 h VAL 134 Ca 0.01 -0.88 -0.13 0.00 -1.23 0.00 0.00 66.70 64.48 1a01 h VAL 134 Cb 0.30 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1a01 h VAL 134 CO 0.00 0.27 -0.34 0.00 -1.23 0.00 0.00 177.57 176.27 1a01 h ALA 135 N 1.61 0.83 -0.35 5.19 0.00 -1.45 -0.51 119.26 124.58 1a01 h ALA 135 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1a01 h ALA 135 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a01 h ALA 135 CO 0.03 0.64 0.08 0.78 0.00 0.00 0.00 179.25 180.78 1a01 h GLY 136 N 0.98 0.60 0.80 0.00 0.00 -0.79 0.51 103.07 105.18 1a01 h GLY 136 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1a01 h GLY 136 CO 0.07 0.35 0.02 -2.08 0.00 0.00 0.00 176.54 174.90 1a01 h VAL 137 N 0.41 1.22 -0.84 4.60 2.07 -1.08 0.92 116.25 123.56 1a01 h VAL 137 Ca 0.11 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1a01 h VAL 137 Cb 0.30 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1a01 h VAL 137 CO 0.00 0.21 0.52 0.00 0.02 0.00 0.00 177.57 178.32 1a01 h ALA 138 N 0.80 1.15 -0.50 1.67 0.00 -0.99 -0.64 119.26 120.75 1a01 h ALA 138 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1a01 h ALA 138 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a01 h ALA 138 CO 0.00 0.28 -0.05 -0.91 0.00 0.00 0.00 179.25 178.57 1a01 h ASN 139 N 0.96 0.91 -0.82 0.00 2.35 -0.58 -2.45 115.58 115.96 1a01 h ASN 139 Ca 0.36 -0.33 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1a01 h ASN 139 Cb 0.14 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 1a01 h ASN 139 CO -0.16 1.02 0.36 0.00 -1.65 0.00 0.00 177.43 177.00 1a01 h ALA 140 N 0.92 1.06 0.00 -0.83 0.00 -0.25 -2.61 119.26 117.55 1a01 h ALA 140 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1a01 h ALA 140 Cb 0.59 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a01 h ALA 140 CO 0.04 0.66 -0.33 -0.07 0.00 0.00 0.00 179.25 179.55 1a01 h LEU 141 N 1.18 0.00 -0.24 0.00 3.38 -0.97 -3.11 115.31 115.55 1a01 h LEU 141 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1a01 h LEU 141 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1a01 h LEU 141 CO -0.03 0.33 -0.45 0.00 0.09 0.00 0.00 178.44 178.38 1a01 n ALA 142 N -2.34 3.49 -0.29 1.53 0.00 -0.94 -4.42 120.51 117.54 1a01 n ALA 142 Ca -0.01 -0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.09 1a01 n ALA 142 Cb 0.43 -1.07 0.22 0.00 0.00 0.00 0.00 19.45 19.02 1a01 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a01 h HIS 143 N 0.59 0.74 -0.45 0.00 6.17 -1.40 -2.59 115.15 118.22 1a01 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1a01 h HIS 143 Cb 0.52 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1a01 h HIS 143 CO 0.00 0.18 0.00 1.63 0.71 0.00 0.00 177.93 180.45 1a01 n LYS 144 N -4.88 2.30 -2.25 5.26 4.76 -1.26 -4.94 118.16 117.14 1a01 n LYS 144 Ca 0.17 -1.72 -0.37 0.00 -2.87 0.00 0.00 58.31 53.51 1a01 n LYS 144 Cb 0.42 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1a01 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a01 s TYR 145 N -1.50 2.91 0.00 2.13 1.51 -0.98 -4.76 117.35 116.67 1a01 s TYR 145 Ca 0.32 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.91 1a01 s TYR 145 Cb 0.18 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.63 1a01 s TYR 145 CO 0.19 -1.49 0.00 -2.39 -1.11 0.00 0.00 175.55 170.75