#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d60 s LEU 3 N 0.00 4.51 0.75 0.27 2.01 -1.26 -5.08 118.68 119.87 2d60 s LEU 3 Ca 0.00 1.20 -0.11 0.00 0.01 0.00 0.00 54.13 55.23 2d60 s LEU 3 Cb 0.00 -2.85 0.04 0.00 0.01 0.00 0.00 46.19 43.39 2d60 s LEU 3 CO 0.00 0.26 1.09 0.42 1.01 0.00 0.00 176.35 179.13 2d60 s THR 4 N -0.98 3.35 0.24 5.49 -4.23 -1.26 -4.83 115.64 113.43 2d60 s THR 4 Ca 0.28 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 2d60 s THR 4 Cb -0.19 -3.27 0.22 0.00 1.34 0.00 0.00 72.50 70.60 2d60 s THR 4 CO 0.18 -0.57 1.86 -0.65 -0.54 0.00 0.00 174.62 174.89 2d60 h PRO 5 N -0.89 0.98 0.00 3.99 0.11 -2.00 0.06 132.00 134.25 2d60 h PRO 5 Ca -0.46 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2d60 h PRO 5 Cb 1.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2d60 h PRO 5 CO 0.60 0.65 -0.31 1.05 -0.21 0.00 0.00 178.00 179.78 2d60 h GLU 6 N 1.01 0.00 -0.07 1.05 9.09 -1.99 -2.50 114.58 121.16 2d60 h GLU 6 Ca 0.37 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.55 2d60 h GLU 6 Cb 0.13 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.25 2d60 h GLU 6 CO -0.16 0.31 -0.87 0.93 0.05 0.00 0.00 179.01 179.27 2d60 h GLU 7 N 0.00 0.72 0.06 1.06 5.08 -1.42 -0.43 114.58 119.65 2d60 h GLU 7 Ca -0.00 -0.68 -0.00 0.00 -1.00 0.00 0.00 59.36 57.68 2d60 h GLU 7 Cb 0.64 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2d60 h GLU 7 CO 0.04 1.27 -0.03 0.87 -1.00 0.00 0.00 179.01 180.16 2d60 h LYS 8 N 0.41 -0.08 0.00 2.33 1.57 -1.01 -0.17 116.57 119.62 2d60 h LYS 8 Ca -0.09 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2d60 h LYS 8 Cb 1.52 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 2d60 h LYS 8 CO 0.18 -0.06 -0.32 0.66 -0.57 0.00 0.00 179.45 179.34 2d60 h SER 9 N -0.09 0.00 0.12 0.86 4.64 -1.39 0.66 113.55 118.35 2d60 h SER 9 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2d60 h SER 9 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2d60 h SER 9 CO 0.00 0.32 -0.08 0.00 -0.87 0.00 0.00 176.83 176.21 2d60 h ALA 10 N 1.68 -0.19 -0.02 5.18 0.00 -0.90 0.20 119.26 125.21 2d60 h ALA 10 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2d60 h ALA 10 Cb 0.59 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2d60 h ALA 10 CO 0.04 -0.61 -0.15 0.28 0.00 0.00 0.00 179.25 178.81 2d60 h VAL 11 N -0.20 0.63 -0.71 0.00 2.07 -0.03 -2.27 116.25 115.74 2d60 h VAL 11 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2d60 h VAL 11 Cb 0.17 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2d60 h VAL 11 CO 0.00 0.00 0.44 0.74 0.02 0.00 0.00 177.57 178.77 2d60 h THR 12 N -0.24 1.07 0.29 2.57 2.02 -0.86 -2.01 112.91 115.75 2d60 h THR 12 Ca 0.06 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2d60 h THR 12 Cb 0.31 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2d60 h THR 12 CO -0.16 0.15 -0.18 0.00 0.37 0.00 0.00 175.52 175.71 2d60 h ALA 13 N 1.32 -0.44 -0.63 6.16 0.00 -0.69 -2.49 119.26 122.50 2d60 h ALA 13 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2d60 h ALA 13 Cb 0.06 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2d60 h ALA 13 CO -0.13 -0.76 0.22 1.25 0.00 0.00 0.00 179.25 179.84 2d60 h LEU 14 N -0.45 0.87 -1.06 0.00 5.85 -1.27 -3.03 115.31 116.22 2d60 h LEU 14 Ca -0.03 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 2d60 h LEU 14 Cb 0.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2d60 h LEU 14 CO 0.03 0.79 -0.35 -0.25 -0.34 0.00 0.00 178.44 178.32 2d60 h TRP 15 N 0.92 0.25 0.00 1.25 2.91 -1.08 -1.93 115.95 118.26 2d60 h TRP 15 Ca 0.21 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.17 2d60 h TRP 15 Cb 0.22 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2d60 h TRP 15 CO 0.02 0.55 0.11 0.41 -1.03 0.00 0.00 178.44 178.49 2d60 n GLY 16 N -0.34 -0.69 0.77 2.65 0.00 -0.96 -0.70 105.19 105.91 2d60 n GLY 16 Ca -0.01 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2d60 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d60 n LYS 17 N -2.01 1.86 -3.26 1.61 5.02 -0.73 -4.98 118.16 115.67 2d60 n LYS 17 Ca -0.01 -1.59 -0.38 0.00 -2.02 0.00 0.00 58.31 54.31 2d60 n LYS 17 Cb 0.13 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 2d60 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2d60 s VAL 18 N -1.92 5.09 -0.64 -0.18 1.01 0.12 -5.02 120.40 118.86 2d60 s VAL 18 Ca 0.23 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.07 2d60 s VAL 18 Cb 0.18 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2d60 s VAL 18 CO 0.33 0.36 0.98 0.21 0.00 0.00 0.00 175.10 176.98 2d60 s ASN 19 N 0.33 6.21 0.27 3.32 3.84 -1.26 -4.91 114.94 122.74 2d60 s ASN 19 Ca 0.29 -0.78 -0.01 0.00 0.21 0.00 0.00 52.86 52.57 2d60 s ASN 19 Cb -0.16 -2.43 0.48 0.00 -0.55 0.00 0.00 41.25 38.59 2d60 s ASN 19 CO 0.13 -1.42 1.85 0.58 -2.79 0.00 0.00 177.10 175.46 2d60 h VAL 20 N 5.99 0.99 -0.07 -5.21 2.07 -1.95 -0.55 116.25 117.52 2d60 h VAL 20 Ca -0.28 -0.36 -0.21 0.00 0.82 0.00 0.00 66.70 66.67 2d60 h VAL 20 Cb 1.07 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2d60 h VAL 20 CO 1.17 0.19 -0.81 0.44 0.02 0.00 0.00 177.57 178.58 2d60 h ASP 21 N 1.06 0.62 -0.16 0.57 3.32 -1.91 0.35 116.42 120.28 2d60 h ASP 21 Ca 0.47 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2d60 h ASP 21 Cb 0.35 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2d60 h ASP 21 CO -0.23 1.21 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.09 2d60 h GLU 22 N 0.33 0.33 -0.45 3.56 5.08 -1.87 -1.82 114.58 119.73 2d60 h GLU 22 Ca -0.05 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 2d60 h GLU 22 Cb 1.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2d60 h GLU 22 CO 0.15 0.65 -0.16 0.28 -1.00 0.00 0.00 179.01 178.93 2d60 h VAL 23 N -0.00 1.27 -0.28 3.13 2.07 -1.02 -0.83 116.25 120.59 2d60 h VAL 23 Ca 0.03 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2d60 h VAL 23 Cb 0.55 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2d60 h VAL 23 CO 0.02 0.44 0.14 1.23 0.02 0.00 0.00 177.57 179.42 2d60 h GLY 24 N 0.73 0.37 1.49 2.17 0.00 -0.34 0.18 103.07 107.68 2d60 h GLY 24 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2d60 h GLY 24 CO 0.05 0.08 -0.26 -1.33 0.00 0.00 0.00 176.54 175.08 2d60 h GLY 25 N 0.29 0.63 0.95 4.60 0.00 -1.20 -1.86 103.07 106.47 2d60 h GLY 25 Ca 0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2d60 h GLY 25 CO -0.08 0.49 0.17 -2.09 0.00 0.00 0.00 176.54 175.03 2d60 h GLU 26 N 0.51 0.53 -0.08 4.80 4.57 -0.84 -1.40 114.58 122.67 2d60 h GLU 26 Ca 0.07 -0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 57.95 2d60 h GLU 26 Cb 0.71 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2d60 h GLU 26 CO 0.05 0.48 -0.84 0.00 -1.18 0.00 0.00 179.01 177.53 2d60 h ALA 27 N 1.02 0.38 -0.13 2.92 0.00 -0.39 -0.76 119.26 122.30 2d60 h ALA 27 Ca 0.13 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 2d60 h ALA 27 Cb 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2d60 h ALA 27 CO -0.01 0.73 -0.70 1.25 0.00 0.00 0.00 179.25 180.52 2d60 h LEU 28 N 0.38 0.84 -0.17 0.00 5.85 -1.40 0.33 115.31 121.14 2d60 h LEU 28 Ca -0.06 -0.64 0.05 0.00 0.84 0.00 0.00 57.88 58.06 2d60 h LEU 28 Cb 1.45 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2d60 h LEU 28 CO 0.16 1.35 -0.17 1.23 -0.34 0.00 0.00 178.44 180.66 2d60 h GLY 29 N 0.39 -0.08 1.41 3.75 0.00 -1.20 -1.88 103.07 105.46 2d60 h GLY 29 Ca -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2d60 h GLY 29 CO 0.14 -0.16 0.22 3.21 0.00 0.00 0.00 176.54 179.95 2d60 h ARG 30 N -0.20 0.76 -0.37 4.80 3.08 -1.00 -1.47 114.38 119.99 2d60 h ARG 30 Ca 0.11 -0.11 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2d60 h ARG 30 Cb 0.36 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2d60 h ARG 30 CO -0.28 0.62 -0.14 1.25 -1.07 0.00 0.00 179.97 180.35 2d60 h LEU 31 N 0.75 -0.48 -1.19 3.04 5.85 -0.45 0.42 115.31 123.25 2d60 h LEU 31 Ca 0.18 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2d60 h LEU 31 Cb 0.14 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2d60 h LEU 31 CO -0.02 -0.17 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.66 2d60 h LEU 32 N -0.06 0.00 0.00 2.25 3.38 -0.86 0.11 115.31 120.13 2d60 h LEU 32 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 2d60 h LEU 32 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2d60 h LEU 32 CO -0.41 0.18 -0.40 0.58 0.09 0.00 0.00 178.44 178.48 2d60 h VAL 33 N 0.00 0.90 -0.22 1.22 2.07 -0.60 -3.25 116.25 116.37 2d60 h VAL 33 Ca -0.00 -1.81 -0.18 0.00 0.82 0.00 0.00 66.70 65.53 2d60 h VAL 33 Cb 0.69 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2d60 h VAL 33 CO 0.02 0.31 -0.58 0.58 0.02 0.00 0.00 177.57 177.92 2d60 h VAL 34 N -1.00 1.30 -2.84 2.57 2.07 -0.16 -3.35 116.25 114.84 2d60 h VAL 34 Ca -0.09 -1.80 -0.61 0.00 0.82 0.00 0.00 66.70 65.01 2d60 h VAL 34 Cb 0.79 1.75 -0.41 0.00 -1.52 0.00 0.00 31.29 31.89 2d60 h VAL 34 CO -0.06 0.57 -0.63 -1.22 0.02 0.00 0.00 177.57 176.26 2d60 n TYR 35 N -3.97 2.79 0.26 1.57 4.01 0.02 -4.99 117.16 116.85 2d60 n TYR 35 Ca -0.04 -4.16 0.15 0.00 -0.16 0.00 0.00 57.90 53.69 2d60 n TYR 35 Cb 0.64 -0.51 0.77 0.00 -0.31 0.00 0.00 39.34 39.92 2d60 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2d60 h PRO 36 N 5.18 0.00 0.00 -0.72 0.11 -1.70 -1.19 132.00 133.67 2d60 h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2d60 h PRO 36 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2d60 h PRO 36 CO 0.69 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.59 2d60 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.90 -1.86 115.95 112.93 2d60 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2d60 h TRP 37 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 2d60 h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 2d60 n THR 38 N -2.88 1.01 0.28 0.12 -2.24 -0.45 -2.23 114.28 107.90 2d60 n THR 38 Ca 0.01 0.25 0.17 0.00 -2.27 0.00 0.00 64.05 62.21 2d60 n THR 38 Cb 0.27 -1.05 0.70 0.00 -2.10 0.00 0.00 70.33 68.15 2d60 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2d60 h GLN 39 N 0.00 0.00 -0.66 -0.78 4.20 -1.55 -3.31 115.11 113.01 2d60 h GLN 39 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 2d60 h GLN 39 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2d60 h GLN 39 CO 0.00 0.00 0.85 0.07 -0.67 0.00 0.00 178.83 179.08 2d60 h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.66 0.15 114.38 114.43 2d60 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2d60 h ARG 40 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2d60 h ARG 40 CO 0.00 0.00 -0.35 1.19 0.10 0.00 0.00 179.97 180.91 2d60 n PHE 41 N -3.35 0.00 -1.88 4.08 3.01 -1.25 -4.43 117.46 113.65 2d60 n PHE 41 Ca 0.14 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.65 2d60 n PHE 41 Cb 1.07 -0.10 0.12 0.00 -0.01 0.00 0.00 39.48 40.56 2d60 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2d60 n PHE 42 N -0.61 0.00 -0.42 1.38 3.01 0.52 -4.73 117.46 116.61 2d60 n PHE 42 Ca 0.11 -0.98 0.35 0.00 1.01 0.00 0.00 57.45 57.94 2d60 n PHE 42 Cb 0.37 -0.19 0.65 0.00 -0.01 0.00 0.00 39.48 40.31 2d60 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2d60 h GLU 43 N 0.80 0.14 -0.00 -1.08 4.39 -1.77 -1.66 114.58 115.39 2d60 h GLU 43 Ca -0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2d60 h GLU 43 Cb 1.34 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2d60 h GLU 43 CO 0.03 0.09 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.84 2d60 n SER 44 N -4.50 0.33 -0.18 1.42 3.41 -1.26 -4.07 113.62 108.76 2d60 n SER 44 Ca 0.33 -1.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.03 2d60 n SER 44 Cb 1.32 -0.02 0.21 0.00 -0.26 0.00 0.00 64.21 65.46 2d60 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2d60 n PHE 45 N -0.78 0.00 -0.08 7.33 0.99 -0.62 -5.03 117.46 119.27 2d60 n PHE 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 2d60 n PHE 45 Cb 0.18 -0.12 0.00 0.00 -1.00 0.00 0.00 39.48 38.53 2d60 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2d60 n GLY 46 N 1.42 0.85 3.65 1.37 0.00 -1.26 -4.73 105.19 106.49 2d60 n GLY 46 Ca 0.09 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 2d60 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d60 s ASP 47 N -4.00 6.82 -0.07 1.61 3.68 -1.26 -4.88 116.67 118.57 2d60 s ASP 47 Ca 0.00 1.48 0.18 0.00 2.13 0.00 0.00 52.55 56.34 2d60 s ASP 47 Cb 0.00 -2.54 0.37 0.00 -1.45 0.00 0.00 42.92 39.30 2d60 s ASP 47 CO 0.00 -0.91 1.17 0.18 0.13 0.00 0.00 175.17 175.74 2d60 n LEU 48 N 7.08 1.50 0.12 -1.34 4.77 -1.26 -4.14 117.00 123.72 2d60 n LEU 48 Ca 0.14 -2.55 -0.01 0.00 -0.03 0.00 0.00 56.01 53.56 2d60 n LEU 48 Cb 0.46 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2d60 n LEU 48 CO 0.59 0.77 0.40 0.77 -1.33 0.00 0.00 177.39 178.58 2d60 h SER 49 N 0.83 0.00 -5.12 -1.43 4.64 -1.91 -3.44 113.55 107.12 2d60 h SER 49 Ca -0.12 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 2d60 h SER 49 Cb 1.51 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.44 2d60 h SER 49 CO 0.05 0.69 -0.69 0.42 -0.87 0.00 0.00 176.83 176.43 2d60 s THR 50 N -3.16 0.26 0.23 2.95 -4.23 -1.26 -5.04 115.64 105.39 2d60 s THR 50 Ca 0.01 -1.65 -0.15 0.00 -1.18 0.00 0.00 61.69 58.72 2d60 s THR 50 Cb 0.10 -1.29 0.28 0.00 1.34 0.00 0.00 72.50 72.93 2d60 s THR 50 CO 0.77 -0.88 1.58 -0.65 -0.54 0.00 0.00 174.62 174.89 2d60 h PRO 51 N 3.43 -0.04 -0.94 3.99 0.11 -1.98 -0.83 132.00 135.74 2d60 h PRO 51 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2d60 h PRO 51 Cb 1.16 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2d60 h PRO 51 CO 0.61 -0.03 0.56 -0.44 -0.21 0.00 0.00 178.00 178.49 2d60 h ASP 52 N -0.04 1.14 -0.53 -2.05 3.32 -1.99 -1.12 116.42 115.16 2d60 h ASP 52 Ca 0.35 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 2d60 h ASP 52 Cb 0.60 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2d60 h ASP 52 CO -0.86 0.88 -0.09 0.00 -1.72 0.00 0.00 179.24 177.45 2d60 h ALA 53 N 1.31 0.81 -0.16 3.45 0.00 -1.71 0.05 119.26 123.00 2d60 h ALA 53 Ca 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2d60 h ALA 53 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2d60 h ALA 53 CO -0.06 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.19 2d60 h VAL 54 N 0.90 1.17 -0.47 0.00 2.07 -0.86 -1.25 116.25 117.80 2d60 h VAL 54 Ca 0.14 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2d60 h VAL 54 Cb 0.65 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2d60 h VAL 54 CO 0.04 0.16 -0.02 0.24 0.02 0.00 0.00 177.57 178.01 2d60 h MET 55 N 0.09 0.80 0.00 1.57 2.07 -1.00 -3.08 114.93 115.37 2d60 h MET 55 Ca 0.05 -0.22 -0.02 0.00 -2.07 0.00 0.00 59.70 57.43 2d60 h MET 55 Cb 0.20 -0.09 -0.00 0.00 -1.87 0.00 0.00 31.60 29.84 2d60 h MET 55 CO -0.00 0.82 -0.12 0.78 1.07 0.00 0.00 176.91 179.46 2d60 h GLY 56 N 0.97 0.00 -5.84 8.32 0.00 -0.93 -3.45 103.07 102.14 2d60 h GLY 56 Ca 0.14 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.91 2d60 h GLY 56 CO 0.02 0.00 1.20 0.21 0.00 0.00 0.00 176.54 177.97 2d60 s ASN 57 N -6.12 6.32 0.53 0.19 3.84 -0.48 -4.87 114.94 114.35 2d60 s ASN 57 Ca 0.04 2.05 0.21 0.00 0.21 0.00 0.00 52.86 55.37 2d60 s ASN 57 Cb 0.07 -2.53 1.39 0.00 -0.55 0.00 0.00 41.25 39.63 2d60 s ASN 57 CO 0.65 -1.24 2.14 1.55 -2.79 0.00 0.00 177.10 177.41 2d60 h PRO 58 N 11.08 0.00 -0.40 0.43 0.13 -1.90 -1.68 132.00 139.65 2d60 h PRO 58 Ca -0.40 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.58 2d60 h PRO 58 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d60 h PRO 58 CO 0.97 0.05 -0.35 0.87 -0.23 0.00 0.00 178.00 179.31 2d60 h LYS 59 N 0.00 0.95 0.02 0.86 1.57 -1.89 0.42 116.57 118.50 2d60 h LYS 59 Ca -0.00 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2d60 h LYS 59 Cb 0.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2d60 h LYS 59 CO 0.01 1.14 -0.01 0.28 -0.57 0.00 0.00 179.45 180.30 2d60 h VAL 60 N 0.78 1.02 -0.72 0.50 2.07 -1.65 0.13 116.25 118.37 2d60 h VAL 60 Ca 0.07 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2d60 h VAL 60 Cb 0.94 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2d60 h VAL 60 CO 0.09 0.03 0.45 0.11 0.02 0.00 0.00 177.57 178.27 2d60 h LYS 61 N -0.08 0.83 0.21 1.57 1.57 -1.20 0.32 116.57 119.80 2d60 h LYS 61 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2d60 h LYS 61 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2d60 h LYS 61 CO 0.00 0.55 -0.10 0.00 -0.57 0.00 0.00 179.45 179.33 2d60 h ALA 62 N 1.32 -0.28 -0.86 3.86 0.00 0.20 0.64 119.26 124.14 2d60 h ALA 62 Ca 0.30 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2d60 h ALA 62 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2d60 h ALA 62 CO -0.13 -0.56 0.54 1.25 0.00 0.00 0.00 179.25 180.35 2d60 h HIS 63 N -0.48 0.99 -0.50 0.00 -0.00 -0.56 -1.94 115.15 112.65 2d60 h HIS 63 Ca -0.03 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2d60 h HIS 63 Cb 0.36 -0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.40 2d60 h HIS 63 CO -0.01 0.51 0.21 0.78 -0.00 0.00 0.00 177.93 179.42 2d60 h GLY 64 N 0.98 0.68 0.47 5.26 0.00 0.11 -1.08 103.07 109.50 2d60 h GLY 64 Ca 0.38 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.67 2d60 h GLY 64 CO -0.17 0.05 0.36 1.70 0.00 0.00 0.00 176.54 178.47 2d60 h LYS 65 N 0.41 0.59 -0.33 4.80 3.64 -0.65 -1.23 116.57 123.79 2d60 h LYS 65 Ca 0.23 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2d60 h LYS 65 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2d60 h LYS 65 CO -0.21 0.39 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.13 2d60 h LYS 66 N 0.61 0.59 -0.22 1.90 3.64 -0.53 -0.81 116.57 121.76 2d60 h LYS 66 Ca 0.35 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2d60 h LYS 66 Cb 0.37 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2d60 h LYS 66 CO -0.27 0.72 -0.18 0.28 -2.27 0.00 0.00 179.45 177.73 2d60 h VAL 67 N 0.39 1.32 0.00 2.00 2.07 -1.11 -2.57 116.25 118.35 2d60 h VAL 67 Ca 0.09 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 2d60 h VAL 67 Cb 0.46 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2d60 h VAL 67 CO 0.02 0.41 -0.58 0.25 0.02 0.00 0.00 177.57 177.69 2d60 h LEU 68 N 0.20 0.00 -0.29 2.57 5.85 -1.27 0.20 115.31 122.57 2d60 h LEU 68 Ca 0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2d60 h LEU 68 Cb 0.72 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2d60 h LEU 68 CO 0.05 0.58 0.08 1.23 -0.34 0.00 0.00 178.44 180.03 2d60 h GLY 69 N 2.44 0.35 1.12 3.75 0.00 -1.09 0.54 103.07 110.18 2d60 h GLY 69 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2d60 h GLY 69 CO 0.08 0.01 0.08 0.00 0.00 0.00 0.00 176.54 176.70 2d60 h ALA 70 N 1.20 0.93 -0.39 3.60 0.00 -1.12 0.07 119.26 123.55 2d60 h ALA 70 Ca 0.13 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2d60 h ALA 70 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2d60 h ALA 70 CO -0.16 0.66 0.20 0.35 0.00 0.00 0.00 179.25 180.30 2d60 h PHE 71 N 1.00 0.36 0.16 0.00 3.57 -0.18 -1.80 116.94 120.05 2d60 h PHE 71 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2d60 h PHE 71 Cb 0.46 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2d60 h PHE 71 CO 0.03 0.19 -0.13 1.03 -2.23 0.00 0.00 178.31 177.20 2d60 h SER 72 N 0.40 -0.35 -0.59 0.41 0.87 0.34 -1.74 113.55 112.88 2d60 h SER 72 Ca 0.16 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 2d60 h SER 72 Cb 0.06 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2d60 h SER 72 CO -0.11 -0.21 0.40 0.44 -0.53 0.00 0.00 176.83 176.82 2d60 h ASP 73 N -0.31 0.35 0.73 6.23 3.32 -0.87 -0.35 116.42 125.52 2d60 h ASP 73 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2d60 h ASP 73 Cb 0.28 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2d60 h ASP 73 CO -0.02 0.21 0.00 1.23 -1.72 0.00 0.00 179.24 178.94 2d60 h GLY 74 N 0.39 0.00 1.78 2.75 0.00 -0.42 -2.80 103.07 104.77 2d60 h GLY 74 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2d60 h GLY 74 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2d60 n LEU 75 N -2.57 0.00 -0.10 3.11 7.99 -0.14 -1.43 117.00 123.86 2d60 n LEU 75 Ca 0.01 0.39 0.14 0.00 -0.01 0.00 0.00 56.01 56.54 2d60 n LEU 75 Cb 0.23 -0.39 0.67 0.00 -0.11 0.00 0.00 43.42 43.82 2d60 n LEU 75 CO 0.21 -0.10 0.92 0.00 -1.51 0.00 0.00 177.39 176.91 2d60 n ALA 76 N -1.39 2.70 -2.67 -1.18 0.00 -1.06 -4.15 120.51 112.76 2d60 n ALA 76 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 2d60 n ALA 76 Cb 0.21 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.32 2d60 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d60 n HIS 77 N -0.98 1.47 0.21 0.00 8.25 -0.51 -4.88 115.22 118.78 2d60 n HIS 77 Ca 0.15 -2.53 0.13 0.00 -0.26 0.00 0.00 57.72 55.22 2d60 n HIS 77 Cb 0.26 -0.30 0.70 0.00 1.12 0.00 0.00 29.99 31.77 2d60 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2d60 h LEU 78 N 2.76 0.00 -2.98 2.41 3.38 -1.72 -0.62 115.31 118.55 2d60 h LEU 78 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2d60 h LEU 78 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2d60 h LEU 78 CO 0.42 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.42 2d60 n ASP 79 N -2.43 4.12 -2.89 -0.43 10.43 -1.26 -4.47 116.55 119.62 2d60 n ASP 79 Ca -0.02 -2.26 -0.12 0.00 2.57 0.00 0.00 54.79 54.96 2d60 n ASP 79 Cb 0.10 -0.49 0.04 0.00 1.84 0.00 0.00 41.12 42.62 2d60 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2d60 n ASN 80 N 1.08 -1.43 -0.00 -2.24 2.85 -0.25 -4.98 115.26 110.29 2d60 n ASN 80 Ca 0.23 -3.39 -0.10 0.00 -0.11 0.00 0.00 54.58 51.21 2d60 n ASN 80 Cb 0.72 1.07 0.05 0.00 1.24 0.00 0.00 39.78 42.87 2d60 n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2d60 h LEU 81 N 3.23 0.64 0.26 1.20 3.38 -1.75 -0.43 115.31 121.84 2d60 h LEU 81 Ca -0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2d60 h LEU 81 Cb 1.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2d60 h LEU 81 CO 0.28 1.05 -0.13 0.11 0.09 0.00 0.00 178.44 179.85 2d60 h LYS 82 N 0.45 -0.34 -0.04 1.13 1.57 -1.88 -0.54 116.57 116.92 2d60 h LYS 82 Ca 0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2d60 h LYS 82 Cb 1.08 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 2d60 h LYS 82 CO 0.10 -0.14 -0.24 0.78 -0.57 0.00 0.00 179.45 179.38 2d60 h GLY 83 N -0.47 -0.32 1.50 3.86 0.00 -1.94 -1.32 103.07 104.37 2d60 h GLY 83 Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.60 2d60 h GLY 83 CO 0.06 -0.20 0.29 -0.84 0.00 0.00 0.00 176.54 175.85 2d60 h THR 84 N -0.35 1.06 -0.12 4.70 2.02 -0.94 -2.90 112.91 116.37 2d60 h THR 84 Ca 0.07 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2d60 h THR 84 Cb 0.45 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2d60 h THR 84 CO -0.24 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.23 2d60 n PHE 85 N -4.48 0.13 0.01 3.16 3.01 -0.22 -4.67 117.46 114.40 2d60 n PHE 85 Ca 0.04 -0.08 -0.13 0.00 1.01 0.00 0.00 57.45 58.30 2d60 n PHE 85 Cb 0.12 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 2d60 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2d60 h ALA 86 N 4.05 -0.67 -0.26 4.37 0.00 -1.02 0.90 119.26 126.62 2d60 h ALA 86 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2d60 h ALA 86 Cb 0.88 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2d60 h ALA 86 CO 0.00 -0.97 -0.20 1.15 0.00 0.00 0.00 179.25 179.23 2d60 h THR 87 N -0.53 1.25 -0.00 0.00 2.02 -1.83 -1.31 112.91 112.51 2d60 h THR 87 Ca 0.06 -1.16 -0.11 0.00 0.77 0.00 0.00 66.41 65.97 2d60 h THR 87 Cb 0.65 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2d60 h THR 87 CO -0.39 0.37 -0.52 -0.07 0.37 0.00 0.00 175.52 175.28 2d60 h LEU 88 N 0.42 0.00 0.28 2.58 3.38 -1.78 -1.62 115.31 118.58 2d60 h LEU 88 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2d60 h LEU 88 Cb 0.59 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2d60 h LEU 88 CO 0.04 0.53 -0.14 -1.28 0.09 0.00 0.00 178.44 177.68 2d60 h SER 89 N 0.00 -0.32 -0.73 -0.43 0.87 0.23 -0.17 113.55 113.01 2d60 h SER 89 Ca -0.01 -0.05 0.14 0.00 -1.23 0.00 0.00 61.79 60.64 2d60 h SER 89 Cb 0.93 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.88 2d60 h SER 89 CO 0.07 -0.16 0.27 -0.33 -0.53 0.00 0.00 176.83 176.15 2d60 h GLU 90 N -0.47 0.40 -0.11 2.24 5.08 -1.24 -0.12 114.58 120.35 2d60 h GLU 90 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2d60 h GLU 90 Cb 0.36 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2d60 h GLU 90 CO 0.06 0.27 0.03 1.25 -1.00 0.00 0.00 179.01 179.62 2d60 h LEU 91 N 0.41 0.16 -1.38 1.33 5.85 -0.98 0.63 115.31 121.33 2d60 h LEU 91 Ca 0.40 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2d60 h LEU 91 Cb 0.59 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2d60 h LEU 91 CO -0.40 0.33 -0.16 0.45 -0.34 0.00 0.00 178.44 178.32 2d60 h HIS 92 N -0.01 0.22 0.07 1.25 3.86 -0.41 -0.05 115.15 120.08 2d60 h HIS 92 Ca 0.04 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2d60 h HIS 92 Cb 0.22 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2d60 h HIS 92 CO -0.00 0.37 -0.03 0.00 0.86 0.00 0.00 177.93 179.13 2d60 h ASP 94 N -1.02 0.72 0.00 0.00 3.32 0.30 -3.25 116.42 116.49 2d60 h ASP 94 Ca -0.01 -0.33 -0.18 0.00 0.02 0.00 0.00 57.03 56.53 2d60 h ASP 94 Cb 0.12 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2d60 h ASP 94 CO 0.02 1.05 -1.68 0.29 -1.72 0.00 0.00 179.24 177.20 2d60 n LYS 95 N -4.03 1.04 0.08 3.56 4.76 -0.11 -4.74 118.16 118.72 2d60 n LYS 95 Ca -0.02 0.04 0.09 0.00 -2.87 0.00 0.00 58.31 55.56 2d60 n LYS 95 Cb 0.53 -1.24 -0.03 0.00 -1.84 0.00 0.00 35.03 32.45 2d60 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2d60 n LEU 96 N -2.68 0.77 -3.80 -0.35 4.77 -0.73 -4.96 117.00 110.02 2d60 n LEU 96 Ca -0.19 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 55.82 2d60 n LEU 96 Cb 0.76 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.86 2d60 n LEU 96 CO 0.15 -0.11 0.15 1.41 -1.33 0.00 0.00 177.39 177.66 2d60 n HIS 97 N -2.68 -2.48 -3.01 -1.77 8.25 0.35 -4.95 115.22 108.94 2d60 n HIS 97 Ca -0.02 0.94 -0.43 0.00 -0.26 0.00 0.00 57.72 57.95 2d60 n HIS 97 Cb 0.61 -4.37 -0.06 0.00 1.12 0.00 0.00 29.99 27.29 2d60 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2d60 s VAL 98 N -3.33 4.73 -0.13 1.59 1.01 -0.27 -5.02 120.40 118.99 2d60 s VAL 98 Ca 0.60 0.50 -0.34 0.00 0.00 0.00 0.00 61.98 62.74 2d60 s VAL 98 Cb -0.29 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 2d60 s VAL 98 CO 0.80 -0.58 1.94 -0.67 0.00 0.00 0.00 175.10 176.59 2d60 n ASP 99 N 6.48 3.30 0.29 3.32 4.64 -1.26 -4.72 116.55 128.59 2d60 n ASP 99 Ca 0.01 0.86 0.13 0.00 -1.38 0.00 0.00 54.79 54.41 2d60 n ASP 99 Cb 0.48 -1.37 0.69 0.00 -1.04 0.00 0.00 41.12 39.88 2d60 n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2d60 h PRO 100 N 10.00 0.00 -0.82 -0.67 0.11 -1.95 -1.11 132.00 137.57 2d60 h PRO 100 Ca -0.46 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.80 2d60 h PRO 100 Cb 1.27 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 2d60 h PRO 100 CO 0.96 0.00 0.39 1.49 -0.21 0.00 0.00 178.00 180.63 2d60 h GLU 101 N 0.00 0.55 -1.13 1.05 4.57 -1.98 0.50 114.58 118.14 2d60 h GLU 101 Ca 0.00 -0.03 0.33 0.00 -1.18 0.00 0.00 59.36 58.47 2d60 h GLU 101 Cb 0.63 -0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 28.99 2d60 h GLU 101 CO 0.00 0.36 0.73 -0.91 -1.18 0.00 0.00 179.01 178.01 2d60 h ASN 102 N 0.56 0.37 -0.35 1.04 2.35 -1.57 0.30 115.58 118.29 2d60 h ASN 102 Ca 0.45 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 56.27 2d60 h ASN 102 Cb 0.65 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 2d60 h ASN 102 CO -0.37 -0.01 0.11 -0.26 -1.65 0.00 0.00 177.43 175.25 2d60 h PHE 103 N 0.28 0.62 -0.12 1.19 0.04 -1.07 -1.74 116.94 116.13 2d60 h PHE 103 Ca 0.67 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 61.26 2d60 h PHE 103 Cb 1.88 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 39.85 2d60 h PHE 103 CO -0.00 0.52 -0.49 0.00 -0.60 0.00 0.00 178.31 177.74 2d60 h ARG 104 N 0.60 0.55 -0.54 1.51 3.08 -0.45 -0.75 114.38 118.38 2d60 h ARG 104 Ca 0.14 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 2d60 h ARG 104 Cb 0.21 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2d60 h ARG 104 CO -0.01 1.05 0.19 -0.07 -1.07 0.00 0.00 179.97 180.07 2d60 h LEU 105 N 0.16 0.77 -0.50 3.04 3.38 -1.25 -1.26 115.31 119.65 2d60 h LEU 105 Ca -0.03 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2d60 h LEU 105 Cb 1.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2d60 h LEU 105 CO 0.10 0.75 -0.28 0.25 0.09 0.00 0.00 178.44 179.35 2d60 h LEU 106 N 0.74 0.96 -0.69 1.67 5.85 -1.28 -1.40 115.31 121.17 2d60 h LEU 106 Ca 0.18 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.64 2d60 h LEU 106 Cb 0.24 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 2d60 h LEU 106 CO -0.01 1.17 0.22 1.23 -0.34 0.00 0.00 178.44 180.71 2d60 h GLY 107 N 0.87 0.97 1.97 3.75 0.00 -0.86 0.23 103.07 110.00 2d60 h GLY 107 Ca 0.09 -0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2d60 h GLY 107 CO 0.07 -0.11 -0.91 3.43 0.00 0.00 0.00 176.54 179.03 2d60 h ASN 108 N 0.35 0.03 -0.90 0.19 2.35 -0.76 -2.21 115.58 114.64 2d60 h ASN 108 Ca 0.37 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.11 2d60 h ASN 108 Cb 0.56 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 2d60 h ASN 108 CO -0.41 0.92 0.59 0.58 -1.65 0.00 0.00 177.43 177.46 2d60 h VAL 109 N 0.01 1.18 -0.70 2.81 2.07 -1.00 -0.90 116.25 119.73 2d60 h VAL 109 Ca -0.02 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2d60 h VAL 109 Cb 1.60 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2d60 h VAL 109 CO 0.12 0.21 0.24 0.25 0.02 0.00 0.00 177.57 178.41 2d60 h LEU 110 N 1.17 1.00 -0.27 2.57 5.85 -0.29 0.02 115.31 125.37 2d60 h LEU 110 Ca 0.35 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2d60 h LEU 110 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2d60 h LEU 110 CO -0.10 0.93 0.10 0.58 -0.34 0.00 0.00 178.44 179.62 2d60 h VAL 111 N 1.02 0.95 -0.77 1.05 2.07 -1.07 -0.09 116.25 119.39 2d60 h VAL 111 Ca 0.23 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2d60 h VAL 111 Cb 0.27 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2d60 h VAL 111 CO -0.01 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.06 2d60 h VAL 113 N 0.75 1.24 -0.85 0.00 2.07 -0.63 -0.46 116.25 118.37 2d60 h VAL 113 Ca 0.36 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2d60 h VAL 113 Cb 0.30 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2d60 h VAL 113 CO -0.23 0.30 0.56 -0.07 0.02 0.00 0.00 177.57 178.15 2d60 h LEU 114 N 0.54 0.94 -0.21 2.57 3.38 -0.76 0.30 115.31 122.08 2d60 h LEU 114 Ca 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2d60 h LEU 114 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2d60 h LEU 114 CO 0.01 0.67 0.07 0.00 0.09 0.00 0.00 178.44 179.27 2d60 h ALA 115 N 1.34 0.27 -0.11 1.53 0.00 -0.72 0.13 119.26 121.70 2d60 h ALA 115 Ca 0.33 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2d60 h ALA 115 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2d60 h ALA 115 CO -0.09 -0.11 -0.05 1.25 0.00 0.00 0.00 179.25 180.25 2d60 h HIS 116 N 0.16 -0.11 -0.60 0.00 -0.00 -0.88 0.12 115.15 113.85 2d60 h HIS 116 Ca 0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2d60 h HIS 116 Cb 0.22 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 2d60 h HIS 116 CO -0.00 -0.08 0.22 1.25 -0.00 0.00 0.00 177.93 179.32 2d60 h HIS 117 N -0.03 0.94 0.00 5.26 6.17 -0.26 -3.31 115.15 123.92 2d60 h HIS 117 Ca 0.06 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.06 2d60 h HIS 117 Cb 0.12 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 29.77 2d60 h HIS 117 CO -0.17 0.76 -1.15 1.19 0.71 0.00 0.00 177.93 179.27 2d60 n PHE 118 N -4.43 0.00 -2.71 5.26 3.01 0.45 -5.06 117.46 113.98 2d60 n PHE 118 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2d60 n PHE 118 Cb 0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2d60 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d60 n GLY 119 N 1.43 2.78 0.27 1.37 0.00 0.41 -2.30 105.19 109.15 2d60 n GLY 119 Ca 0.02 -0.27 0.22 0.00 0.00 0.00 0.00 46.02 45.99 2d60 n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d60 n LYS 120 N 14.00 -0.06 0.26 1.61 4.81 -1.26 -0.77 118.16 136.75 2d60 n LYS 120 Ca 0.00 1.18 0.09 0.00 -0.87 0.00 0.00 58.31 58.71 2d60 n LYS 120 Cb 0.00 -2.04 0.65 0.00 0.02 0.00 0.00 35.03 33.66 2d60 n LYS 120 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2d60 h GLU 121 N 0.00 0.00 -4.05 1.64 4.81 -1.85 -3.27 114.58 111.86 2d60 h GLU 121 Ca 0.64 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 59.17 2d60 h GLU 121 Cb 1.61 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.96 2d60 h GLU 121 CO -0.69 0.06 3.03 0.34 -0.73 0.00 0.00 179.01 181.02 2d60 n PHE 122 N -4.33 3.29 -1.38 0.92 7.35 0.05 -4.91 117.46 118.45 2d60 n PHE 122 Ca -0.03 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.55 2d60 n PHE 122 Cb 0.14 -2.44 0.11 0.00 0.35 0.00 0.00 39.48 37.64 2d60 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d60 s THR 123 N 3.44 3.00 0.23 -2.13 -4.23 -1.23 -4.63 115.64 110.08 2d60 s THR 123 Ca 0.49 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 2d60 s THR 123 Cb 0.14 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.26 2d60 s THR 123 CO -0.06 -0.42 1.69 -0.65 -0.54 0.00 0.00 174.62 174.64 2d60 h PRO 124 N -1.26 0.26 -0.27 3.99 0.11 -1.93 0.14 132.00 133.04 2d60 h PRO 124 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2d60 h PRO 124 Cb 1.27 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2d60 h PRO 124 CO 0.56 0.17 -0.00 -1.35 -0.21 0.00 0.00 178.00 177.17 2d60 h PRO 125 N 0.27 0.41 -0.37 1.05 0.11 -1.99 -1.48 132.00 129.99 2d60 h PRO 125 Ca 0.38 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 2d60 h PRO 125 Cb 0.62 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2d60 h PRO 125 CO -0.47 0.44 0.06 0.28 -0.21 0.00 0.00 178.00 178.09 2d60 h VAL 126 N 0.40 1.24 -0.14 3.15 2.07 -1.58 -2.32 116.25 119.07 2d60 h VAL 126 Ca 0.09 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2d60 h VAL 126 Cb 0.27 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2d60 h VAL 126 CO 0.01 0.29 -0.05 -0.61 0.02 0.00 0.00 177.57 177.22 2d60 h GLN 127 N 0.46 -0.03 -0.77 1.57 4.15 -0.50 -1.54 115.11 118.45 2d60 h GLN 127 Ca 0.11 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.64 2d60 h GLN 127 Cb 0.37 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 2d60 h GLN 127 CO 0.01 -0.02 0.40 0.00 -1.93 0.00 0.00 178.83 177.28 2d60 h ALA 128 N 1.10 1.10 -0.68 3.38 0.00 -1.21 0.27 119.26 123.21 2d60 h ALA 128 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2d60 h ALA 128 Cb 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2d60 h ALA 128 CO -0.16 -0.03 0.38 0.00 0.00 0.00 0.00 179.25 179.44 2d60 h ALA 129 N 1.47 0.88 -0.09 0.00 0.00 -1.14 -2.48 119.26 117.89 2d60 h ALA 129 Ca 0.39 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2d60 h ALA 129 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2d60 h ALA 129 CO -0.29 0.39 -0.45 1.88 0.00 0.00 0.00 179.25 180.77 2d60 h TYR 130 N 0.94 0.26 -0.81 0.00 0.05 -0.09 -2.19 116.97 115.13 2d60 h TYR 130 Ca 0.24 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.95 2d60 h TYR 130 Cb 0.03 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 2d60 h TYR 130 CO -0.01 0.64 0.52 1.96 -1.05 0.00 0.00 178.16 180.22 2d60 h GLN 131 N 0.18 1.08 -0.35 4.88 1.08 -0.38 0.68 115.11 122.28 2d60 h GLN 131 Ca 0.01 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2d60 h GLN 131 Cb 0.88 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 2d60 h GLN 131 CO 0.07 0.73 0.16 0.87 -0.95 0.00 0.00 178.83 179.72 2d60 h LYS 132 N 1.10 0.51 -0.20 1.46 1.57 -1.15 -1.44 116.57 118.43 2d60 h LYS 132 Ca 0.29 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2d60 h LYS 132 Cb -0.09 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.06 2d60 h LYS 132 CO -0.06 0.47 -0.34 0.28 -0.57 0.00 0.00 179.45 179.23 2d60 h VAL 133 N 0.43 0.25 -0.16 0.50 2.07 -1.10 0.10 116.25 118.33 2d60 h VAL 133 Ca 0.12 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 2d60 h VAL 133 Cb 0.14 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2d60 h VAL 133 CO -0.01 0.00 -0.37 -0.37 0.02 0.00 0.00 177.57 176.83 2d60 h VAL 134 N -0.37 1.30 0.20 2.57 -1.51 -0.78 -0.22 116.25 117.43 2d60 h VAL 134 Ca 0.11 -1.47 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 2d60 h VAL 134 Cb 0.55 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 2d60 h VAL 134 CO -0.41 0.45 -0.26 0.00 -1.23 0.00 0.00 177.57 176.13 2d60 h ALA 135 N 1.31 -0.49 -0.26 5.19 0.00 -1.14 -1.85 119.26 122.02 2d60 h ALA 135 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2d60 h ALA 135 Cb 0.80 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2d60 h ALA 135 CO 0.06 -0.81 0.04 0.78 0.00 0.00 0.00 179.25 179.32 2d60 h GLY 136 N -0.51 0.28 0.99 0.00 0.00 -0.42 0.50 103.07 103.92 2d60 h GLY 136 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d60 h GLY 136 CO -0.09 -0.02 0.25 -2.08 0.00 0.00 0.00 176.54 174.60 2d60 h VAL 137 N 0.14 1.12 -0.06 4.60 2.07 -1.10 -0.17 116.25 122.85 2d60 h VAL 137 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2d60 h VAL 137 Cb 0.13 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2d60 h VAL 137 CO -0.16 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.58 2d60 h ALA 138 N 1.12 0.07 -0.51 1.67 0.00 -1.05 -0.28 119.26 120.29 2d60 h ALA 138 Ca 0.15 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2d60 h ALA 138 Cb -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2d60 h ALA 138 CO -0.03 -0.43 0.23 -0.91 0.00 0.00 0.00 179.25 178.12 2d60 h ASN 139 N 0.07 0.31 -0.87 0.00 -0.26 -0.80 -0.52 115.58 113.51 2d60 h ASN 139 Ca 0.02 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2d60 h ASN 139 Cb -0.00 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 2d60 h ASN 139 CO -0.00 0.21 0.56 0.00 -1.06 0.00 0.00 177.43 177.14 2d60 h ALA 140 N 1.30 1.10 0.00 -0.83 0.00 -0.78 -1.45 119.26 118.60 2d60 h ALA 140 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2d60 h ALA 140 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2d60 h ALA 140 CO -0.19 0.52 -0.42 -0.07 0.00 0.00 0.00 179.25 179.09 2d60 h LEU 141 N 1.18 0.00 0.00 0.00 3.38 -0.68 -2.98 115.31 116.21 2d60 h LEU 141 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2d60 h LEU 141 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2d60 h LEU 141 CO -0.07 0.42 -0.05 0.00 0.09 0.00 0.00 178.44 178.84 2d60 n ALA 142 N -2.26 2.41 0.18 1.53 0.00 -0.24 -4.40 120.51 117.73 2d60 n ALA 142 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2d60 n ALA 142 Cb 0.60 -1.44 0.34 0.00 0.00 0.00 0.00 19.45 18.95 2d60 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2d60 h HIS 143 N 0.00 0.00 -0.72 0.00 6.17 -1.12 -2.66 115.15 116.82 2d60 h HIS 143 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2d60 h HIS 143 Cb 0.57 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.50 2d60 h HIS 143 CO 0.00 0.39 0.00 1.63 0.71 0.00 0.00 177.93 180.66 2d60 n LYS 144 N -4.08 2.70 -1.93 5.26 4.76 -1.26 -4.94 118.16 118.68 2d60 n LYS 144 Ca -0.02 -2.64 -0.38 0.00 -2.87 0.00 0.00 58.31 52.40 2d60 n LYS 144 Cb 0.42 -1.57 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 2d60 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2d60 s TYR 145 N -1.04 2.49 0.00 2.13 2.02 -1.01 -4.72 117.35 117.22 2d60 s TYR 145 Ca 0.49 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.60 2d60 s TYR 145 Cb 0.26 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 2d60 s TYR 145 CO 0.34 -2.48 0.00 -2.39 -1.57 0.00 0.00 175.55 169.44