#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yff s HIS 2 N 0.00 2.70 -0.16 6.34 3.76 -1.26 -4.98 115.29 121.69 1yff s HIS 2 Ca 0.00 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 53.95 1yff s HIS 2 Cb 0.00 -4.49 -0.05 0.00 1.11 0.00 0.00 32.58 29.15 1yff s HIS 2 CO 0.00 -1.77 0.23 -0.51 -0.85 0.00 0.00 174.74 171.84 1yff s LEU 3 N 4.24 4.27 0.35 0.89 1.02 -1.26 -5.08 118.68 123.10 1yff s LEU 3 Ca 0.36 0.44 -0.27 0.00 0.02 0.00 0.00 54.13 54.68 1yff s LEU 3 Cb -0.06 -2.26 -0.09 0.00 0.02 0.00 0.00 46.19 43.80 1yff s LEU 3 CO -0.03 0.18 1.18 -0.89 0.02 0.00 0.00 176.35 176.81 1yff s THR 4 N 0.15 3.15 0.49 5.49 2.01 -1.26 -4.86 115.64 120.80 1yff s THR 4 Ca 0.14 1.06 0.26 0.00 0.31 0.00 0.00 61.69 63.46 1yff s THR 4 Cb -0.12 -3.64 0.44 0.00 0.01 0.00 0.00 72.50 69.19 1yff s THR 4 CO 0.03 0.18 1.88 -0.65 -0.69 0.00 0.00 174.62 175.37 1yff h PRO 5 N 3.14 0.16 0.00 4.92 0.11 -2.00 -0.15 132.00 138.18 1yff h PRO 5 Ca -0.48 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1yff h PRO 5 Cb 1.23 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1yff h PRO 5 CO 0.64 0.10 -0.63 -0.22 -0.21 0.00 0.00 178.00 177.69 1yff h LYS 6 N 0.16 0.00 0.00 1.05 3.64 -2.00 -2.93 116.57 116.49 1yff h LYS 6 Ca 0.44 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.64 1yff h LYS 6 Cb 1.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1yff h LYS 6 CO -0.08 0.63 -0.85 0.93 -2.27 0.00 0.00 179.45 177.81 1yff h GLU 7 N 0.00 0.00 -0.09 1.90 5.08 -1.44 -2.58 114.58 117.45 1yff h GLU 7 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1yff h GLU 7 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1yff h GLU 7 CO 0.08 0.85 -0.54 0.87 -1.00 0.00 0.00 179.01 179.27 1yff h LYS 8 N 0.00 0.26 -0.06 2.33 1.57 -1.16 -2.65 116.57 116.86 1yff h LYS 8 Ca -0.01 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1yff h LYS 8 Cb 1.53 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1yff h LYS 8 CO 0.11 0.74 -0.20 0.77 -0.57 0.00 0.00 179.45 180.30 1yff h SER 9 N 0.20 0.28 -0.44 0.86 0.02 -1.51 -3.04 113.55 109.93 1yff h SER 9 Ca 0.00 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.32 1yff h SER 9 Cb 1.02 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1yff h SER 9 CO 0.08 0.85 0.22 0.00 -1.14 0.00 0.00 176.83 176.84 1yff h ALA 10 N 0.45 1.50 0.44 3.77 0.00 -1.46 -2.21 119.26 121.74 1yff h ALA 10 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1yff h ALA 10 Cb 0.82 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yff h ALA 10 CO 0.04 0.40 -0.21 0.28 0.00 0.00 0.00 179.25 179.76 1yff h VAL 11 N 0.67 0.29 -0.25 0.00 2.07 -1.54 -2.87 116.25 114.63 1yff h VAL 11 Ca 0.17 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1yff h VAL 11 Cb 0.08 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1yff h VAL 11 CO -0.02 0.06 0.16 0.71 0.02 0.00 0.00 177.57 178.50 1yff h THR 12 N -1.04 1.03 -0.09 2.57 1.35 -1.50 0.13 112.91 115.35 1yff h THR 12 Ca -0.06 -0.10 -0.13 0.00 -0.55 0.00 0.00 66.41 65.58 1yff h THR 12 Cb 0.55 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1yff h THR 12 CO 0.10 0.05 -0.51 0.00 -0.25 0.00 0.00 175.52 174.91 1yff h ALA 13 N 1.85 0.96 0.04 6.62 0.00 -1.46 -2.30 119.26 124.97 1yff h ALA 13 Ca 0.10 -0.48 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 1yff h ALA 13 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1yff h ALA 13 CO -0.02 0.66 -1.49 1.25 0.00 0.00 0.00 179.25 179.65 1yff h LEU 14 N 0.20 0.14 -0.81 0.00 7.12 -1.09 -3.35 115.31 117.52 1yff h LEU 14 Ca 0.01 -0.22 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 1yff h LEU 14 Cb 0.97 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1yff h LEU 14 CO 0.08 1.19 -0.21 -0.25 -0.13 0.00 0.00 178.44 179.12 1yff h TRP 15 N 0.03 0.00 0.00 1.25 2.91 -0.70 -3.01 115.95 116.42 1yff h TRP 15 Ca -0.21 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1yff h TRP 15 Cb 1.95 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.60 1yff h TRP 15 CO 0.02 0.21 0.00 0.78 -1.03 0.00 0.00 178.44 178.43 1yff h GLY 16 N 2.58 0.00 -2.00 2.65 0.00 -1.55 -2.98 103.07 101.77 1yff h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yff h GLY 16 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1yff n LYS 17 N -2.38 2.30 -2.58 4.80 5.02 -1.14 -4.97 118.16 119.22 1yff n LYS 17 Ca 0.04 -2.02 -0.42 0.00 -2.02 0.00 0.00 58.31 53.90 1yff n LYS 17 Cb 0.38 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1yff n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yff s VAL 18 N -1.74 4.43 -0.65 -0.18 1.01 -1.13 -4.98 120.40 117.16 1yff s VAL 18 Ca 0.31 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.80 1yff s VAL 18 Cb 0.20 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1yff s VAL 18 CO 0.29 0.16 1.51 0.21 0.00 0.00 0.00 175.10 177.27 1yff s ASN 19 N 0.90 5.86 0.64 3.32 3.84 -1.26 -4.88 114.94 123.36 1yff s ASN 19 Ca 0.54 0.00 0.41 0.00 0.21 0.00 0.00 52.86 54.02 1yff s ASN 19 Cb -0.25 -2.55 2.23 0.00 -0.55 0.00 0.00 41.25 40.13 1yff s ASN 19 CO 0.29 -1.99 2.32 -0.37 -2.79 0.00 0.00 177.10 174.57 1yff h VAL 20 N 6.40 0.13 0.02 -5.21 -1.51 -1.96 -2.52 116.25 111.60 1yff h VAL 20 Ca -0.27 -0.05 -0.27 0.00 -1.23 0.00 0.00 66.70 64.88 1yff h VAL 20 Cb 1.10 1.04 -0.04 0.00 -2.13 0.00 0.00 31.29 31.26 1yff h VAL 20 CO 1.23 0.00 -1.48 0.44 -1.23 0.00 0.00 177.57 176.53 1yff h ASP 21 N 0.00 0.08 0.00 4.19 3.32 -1.97 -3.43 116.42 118.61 1yff h ASP 21 Ca -0.00 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 1yff h ASP 21 Cb 0.04 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1yff h ASP 21 CO 0.00 1.10 -2.16 -0.62 -1.72 0.00 0.00 179.24 175.85 1yff n GLU 22 N -3.21 0.53 -0.24 3.56 1.02 -1.11 -4.62 120.64 116.56 1yff n GLU 22 Ca -0.12 0.23 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1yff n GLU 22 Cb 1.02 -1.40 0.06 0.00 -0.02 0.00 0.00 31.44 31.10 1yff n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1yff h VAL 23 N -0.91 0.22 -0.73 2.62 2.07 -1.73 -1.62 116.25 116.16 1yff h VAL 23 Ca -0.53 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1yff h VAL 23 Cb 1.45 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1yff h VAL 23 CO -0.32 0.00 0.33 1.23 0.02 0.00 0.00 177.57 178.83 1yff h GLY 24 N -0.06 1.15 2.00 2.17 0.00 -1.81 -1.54 103.07 104.99 1yff h GLY 24 Ca 0.31 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1yff h GLY 24 CO -0.74 0.56 -0.17 -1.33 0.00 0.00 0.00 176.54 174.85 1yff h GLY 25 N 1.04 0.00 1.83 4.60 0.00 -1.50 -2.03 103.07 107.00 1yff h GLY 25 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.34 1yff h GLY 25 CO -0.03 0.00 -1.11 0.83 0.00 0.00 0.00 176.54 176.23 1yff h GLU 26 N 0.00 0.13 0.11 4.80 5.08 -0.66 -1.85 114.58 122.19 1yff h GLU 26 Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1yff h GLU 26 Cb 0.42 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1yff h GLU 26 CO 0.02 1.10 -0.05 0.00 -1.00 0.00 0.00 179.01 179.09 1yff h ALA 27 N 0.80 -0.14 -0.58 3.43 0.00 -0.76 -0.74 119.26 121.27 1yff h ALA 27 Ca -0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1yff h ALA 27 Cb 1.86 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1yff h ALA 27 CO 0.16 -0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.32 1yff h LEU 28 N -0.52 0.93 -0.05 0.00 5.85 -1.49 -1.51 115.31 118.51 1yff h LEU 28 Ca -0.01 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1yff h LEU 28 Cb 0.43 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1yff h LEU 28 CO 0.02 0.96 0.03 1.23 -0.34 0.00 0.00 178.44 180.35 1yff h GLY 29 N 1.01 0.08 2.00 3.75 0.00 -1.28 -2.18 103.07 106.45 1yff h GLY 29 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1yff h GLY 29 CO 0.02 0.03 -0.29 3.21 0.00 0.00 0.00 176.54 179.51 1yff h ARG 30 N 0.04 0.00 -0.51 4.80 3.08 -0.98 -2.45 114.38 118.36 1yff h ARG 30 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1yff h ARG 30 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1yff h ARG 30 CO -0.00 0.29 0.06 1.25 -1.07 0.00 0.00 179.97 180.50 1yff h LEU 31 N 0.00 0.83 -1.07 3.04 5.85 -0.82 0.75 115.31 123.89 1yff h LEU 31 Ca -0.00 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1yff h LEU 31 Cb 0.67 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1yff h LEU 31 CO 0.04 0.90 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.68 1yff h LEU 32 N 0.74 0.00 0.00 2.25 3.38 -0.96 -1.21 115.31 119.51 1yff h LEU 32 Ca 0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1yff h LEU 32 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1yff h LEU 32 CO 0.01 0.29 -0.92 0.58 0.09 0.00 0.00 178.44 178.50 1yff h VAL 33 N 0.00 1.04 -0.23 1.22 2.07 -1.13 -3.29 116.25 115.94 1yff h VAL 33 Ca -0.00 -2.13 -0.13 0.00 0.82 0.00 0.00 66.70 65.26 1yff h VAL 33 Cb 0.79 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1yff h VAL 33 CO 0.04 0.35 -0.42 0.58 0.02 0.00 0.00 177.57 178.14 1yff h VAL 34 N -1.00 1.30 -2.85 2.57 2.07 -0.91 -3.36 116.25 114.08 1yff h VAL 34 Ca -0.25 -1.59 -0.61 0.00 0.82 0.00 0.00 66.70 65.07 1yff h VAL 34 Cb 1.17 1.59 -0.41 0.00 -1.52 0.00 0.00 31.29 32.12 1yff h VAL 34 CO -0.15 0.50 -0.71 -0.31 0.02 0.00 0.00 177.57 176.92 1yff s TYR 35 N -4.21 2.74 0.60 1.57 2.02 -0.46 -5.00 117.35 114.61 1yff s TYR 35 Ca -0.07 -3.00 0.29 0.00 -0.37 0.00 0.00 57.07 53.91 1yff s TYR 35 Cb 0.12 -2.11 1.50 0.00 -0.40 0.00 0.00 41.96 41.07 1yff s TYR 35 CO 0.82 -0.64 1.90 -1.35 -1.57 0.00 0.00 175.55 174.72 1yff h PRO 36 N 5.48 0.00 0.00 -1.71 0.11 -1.72 -2.44 132.00 131.72 1yff h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1yff h PRO 36 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1yff h PRO 36 CO 0.60 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.50 1yff h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.53 115.95 112.24 1yff h TRP 37 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.15 1yff h TRP 37 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.31 1yff h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1yff h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.76 -3.13 112.91 109.49 1yff h THR 38 Ca 0.00 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1yff h THR 38 Cb 0.23 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1yff h THR 38 CO 0.00 0.00 -0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1yff h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.68 -2.86 115.11 119.49 1yff h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yff h GLN 39 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1yff h GLN 39 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.23 1yff h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.77 -1.54 114.38 112.64 1yff h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yff h ARG 40 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1yff h ARG 40 CO 0.00 0.00 -0.46 1.19 0.10 0.00 0.00 179.97 180.80 1yff n PHE 41 N -2.91 0.16 -2.71 4.08 3.01 -1.08 -4.24 117.46 113.77 1yff n PHE 41 Ca 0.00 0.05 -0.23 0.00 1.01 0.00 0.00 57.45 58.28 1yff n PHE 41 Cb 0.26 -0.40 -0.01 0.00 -0.01 0.00 0.00 39.48 39.32 1yff n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1yff n PHE 42 N -1.67 2.88 0.15 1.38 3.01 -0.58 -4.86 117.46 117.77 1yff n PHE 42 Ca 0.05 -3.38 0.01 0.00 1.01 0.00 0.00 57.45 55.13 1yff n PHE 42 Cb 0.36 -0.28 0.22 0.00 -0.01 0.00 0.00 39.48 39.77 1yff n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1yff h GLU 43 N 2.81 0.00 -0.00 -1.08 5.08 -1.73 -3.07 114.58 116.58 1yff h GLU 43 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1yff h GLU 43 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1yff h GLU 43 CO 0.75 0.55 -0.02 -1.13 -1.00 0.00 0.00 179.01 178.16 1yff n SER 44 N -3.74 0.26 0.11 1.42 3.41 -1.26 -4.00 113.62 109.82 1yff n SER 44 Ca -0.01 -0.86 0.13 0.00 -0.26 0.00 0.00 58.87 57.86 1yff n SER 44 Cb 0.58 -0.06 0.32 0.00 -0.26 0.00 0.00 64.21 64.80 1yff n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yff h PHE 45 N 0.38 0.00 0.00 7.33 0.05 -1.94 -3.50 116.94 119.26 1yff h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1yff h PHE 45 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.11 1yff h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1yff n GLY 46 N 1.28 0.47 3.59 -1.45 0.00 -1.26 -4.70 105.19 103.13 1yff n GLY 46 Ca 0.05 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1yff n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yff s ASP 47 N -4.00 5.64 -0.07 1.61 3.68 -1.26 -4.83 116.67 117.43 1yff s ASP 47 Ca 0.00 1.29 0.11 0.00 2.13 0.00 0.00 52.55 56.07 1yff s ASP 47 Cb 0.00 -2.52 0.17 0.00 -1.45 0.00 0.00 42.92 39.12 1yff s ASP 47 CO 0.00 -1.91 1.09 0.18 0.13 0.00 0.00 175.17 174.65 1yff n LEU 48 N 11.22 1.31 -0.07 -1.34 4.77 -1.26 -4.20 117.00 127.44 1yff n LEU 48 Ca 0.25 -2.19 -0.12 0.00 -0.03 0.00 0.00 56.01 53.92 1yff n LEU 48 Cb 0.48 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1yff n LEU 48 CO 0.68 0.53 0.67 0.77 -1.33 0.00 0.00 177.39 178.72 1yff h SER 49 N 0.07 0.41 -2.75 -1.43 4.64 -1.92 -3.45 113.55 109.13 1yff h SER 49 Ca -0.01 -0.40 -0.60 0.00 -0.47 0.00 0.00 61.79 60.31 1yff h SER 49 Cb 1.20 -0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 1yff h SER 49 CO 0.00 0.72 -0.66 0.42 -0.87 0.00 0.00 176.83 176.44 1yff s THR 50 N -4.61 3.60 0.28 2.95 -4.23 -1.26 -5.04 115.64 107.32 1yff s THR 50 Ca -0.14 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1yff s THR 50 Cb 0.06 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.35 1yff s THR 50 CO 0.75 -0.17 1.87 -0.65 -0.54 0.00 0.00 174.62 175.88 1yff h PRO 51 N 2.55 1.05 0.00 3.99 0.11 -1.99 -1.99 132.00 135.71 1yff h PRO 51 Ca -0.46 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1yff h PRO 51 Cb 1.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1yff h PRO 51 CO 0.58 0.69 -0.35 -0.44 -0.21 0.00 0.00 178.00 178.27 1yff h ASP 52 N 1.08 0.00 0.80 -2.05 3.32 -1.99 -2.25 116.42 115.33 1yff h ASP 52 Ca 0.45 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 1yff h ASP 52 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1yff h ASP 52 CO -0.20 0.35 -0.83 0.00 -1.72 0.00 0.00 179.24 176.84 1yff h ALA 53 N 1.65 0.62 -0.05 3.45 0.00 -1.71 -0.54 119.26 122.69 1yff h ALA 53 Ca -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 1yff h ALA 53 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yff h ALA 53 CO 0.05 1.02 -0.13 0.28 0.00 0.00 0.00 179.25 180.46 1yff h VAL 54 N 0.01 1.45 -0.31 0.00 2.07 -1.06 -2.37 116.25 116.03 1yff h VAL 54 Ca -0.01 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 1yff h VAL 54 Cb 1.47 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1yff h VAL 54 CO 0.11 0.42 -0.35 0.24 0.02 0.00 0.00 177.57 178.01 1yff h MET 55 N -0.37 0.70 -0.00 1.57 2.07 -1.46 -3.03 114.93 114.41 1yff h MET 55 Ca -0.00 -0.34 0.00 0.00 -2.07 0.00 0.00 59.70 57.29 1yff h MET 55 Cb 0.75 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.47 1yff h MET 55 CO 0.03 0.94 -0.11 0.41 1.07 0.00 0.00 176.91 179.26 1yff n GLY 56 N -0.05 -1.13 3.69 8.32 0.00 -0.21 -4.82 105.19 110.99 1yff n GLY 56 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1yff n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yff s ASN 57 N -2.62 6.77 0.37 1.61 3.84 -0.89 -4.94 114.94 119.07 1yff s ASN 57 Ca 0.25 2.26 0.07 0.00 0.21 0.00 0.00 52.86 55.65 1yff s ASN 57 Cb 0.20 -2.56 0.71 0.00 -0.55 0.00 0.00 41.25 39.04 1yff s ASN 57 CO 0.50 -0.76 1.90 -0.65 -2.79 0.00 0.00 177.10 175.29 1yff h PRO 58 N 7.84 0.35 0.00 0.43 0.11 -1.90 -2.95 132.00 135.88 1yff h PRO 58 Ca -0.40 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1yff h PRO 58 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1yff h PRO 58 CO 0.91 0.45 -0.55 0.87 -0.21 0.00 0.00 178.00 179.46 1yff h LYS 59 N 0.33 0.00 -0.07 1.05 1.79 -1.92 -2.39 116.57 115.36 1yff h LYS 59 Ca 0.07 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 1yff h LYS 59 Cb 0.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1yff h LYS 59 CO 0.02 0.55 -0.53 0.28 -1.08 0.00 0.00 179.45 178.69 1yff h VAL 60 N 0.00 1.39 -0.58 0.50 2.07 -1.83 -2.33 116.25 115.46 1yff h VAL 60 Ca -0.01 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 1yff h VAL 60 Cb 1.02 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1yff h VAL 60 CO 0.07 0.56 0.07 0.11 0.02 0.00 0.00 177.57 178.41 1yff h LYS 61 N 0.04 0.98 -0.28 1.57 1.57 -1.52 0.25 116.57 119.18 1yff h LYS 61 Ca -0.05 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1yff h LYS 61 Cb 1.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1yff h LYS 61 CO 0.11 0.94 -0.09 0.00 -0.57 0.00 0.00 179.45 179.84 1yff h ALA 62 N 1.00 0.38 0.00 3.86 0.00 -1.50 -2.18 119.26 120.82 1yff h ALA 62 Ca 0.17 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1yff h ALA 62 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1yff h ALA 62 CO 0.02 0.22 -0.62 1.25 0.00 0.00 0.00 179.25 180.11 1yff h HIS 63 N 0.30 0.00 0.00 0.00 -0.00 -1.39 -2.88 115.15 111.17 1yff h HIS 63 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1yff h HIS 63 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1yff h HIS 63 CO 0.05 0.62 -0.32 0.78 -0.00 0.00 0.00 177.93 179.07 1yff h GLY 64 N 1.94 0.00 1.99 5.26 0.00 -0.74 -2.15 103.07 109.37 1yff h GLY 64 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1yff h GLY 64 CO 0.08 0.00 -0.56 1.70 0.00 0.00 0.00 176.54 177.77 1yff h LYS 65 N 0.00 0.01 0.02 4.80 3.64 -1.17 -2.06 116.57 121.81 1yff h LYS 65 Ca -0.00 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1yff h LYS 65 Cb 0.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1yff h LYS 65 CO 0.04 0.56 -0.94 0.87 -2.27 0.00 0.00 179.45 177.72 1yff h LYS 66 N 0.01 0.11 -0.23 1.90 1.57 -1.41 -1.82 116.57 116.69 1yff h LYS 66 Ca -0.01 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 1yff h LYS 66 Cb 0.99 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1yff h LYS 66 CO 0.07 0.96 -0.60 0.28 -0.57 0.00 0.00 179.45 179.60 1yff h VAL 67 N 0.05 1.29 -0.10 0.50 2.07 -1.24 -1.82 116.25 117.00 1yff h VAL 67 Ca -0.04 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 65.56 1yff h VAL 67 Cb 1.61 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1yff h VAL 67 CO 0.13 0.58 -0.44 0.25 0.02 0.00 0.00 177.57 178.12 1yff h LEU 68 N 0.58 0.26 -1.09 2.57 5.85 -1.39 -1.90 115.31 120.20 1yff h LEU 68 Ca -0.00 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 1yff h LEU 68 Cb 1.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1yff h LEU 68 CO 0.13 0.67 -0.46 1.23 -0.34 0.00 0.00 178.44 179.67 1yff h GLY 69 N 1.25 0.00 2.00 3.75 0.00 -1.10 -1.14 103.07 107.83 1yff h GLY 69 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1yff h GLY 69 CO 0.07 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.86 1yff h ALA 70 N 1.54 0.61 0.01 3.60 0.00 -0.77 -1.78 119.26 122.47 1yff h ALA 70 Ca -0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 54.91 54.03 1yff h ALA 70 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1yff h ALA 70 CO 0.06 0.94 -0.91 0.74 0.00 0.00 0.00 179.25 180.08 1yff h PHE 71 N 0.00 0.10 -0.03 0.00 -1.00 -0.91 -2.19 116.94 112.91 1yff h PHE 71 Ca -0.01 -0.06 -0.19 0.00 2.81 0.00 0.00 57.97 60.52 1yff h PHE 71 Cb 1.47 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 41.01 1yff h PHE 71 CO 0.00 0.93 -0.79 0.77 -1.61 0.00 0.00 178.31 177.61 1yff h SER 72 N 0.03 0.33 0.31 2.17 0.02 -1.16 -2.42 113.55 112.83 1yff h SER 72 Ca -0.03 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 1yff h SER 72 Cb 1.58 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1yff h SER 72 CO 0.13 0.99 -0.42 -0.78 -1.14 0.00 0.00 176.83 175.61 1yff h ASP 73 N 0.17 0.15 1.72 3.07 3.58 -1.26 -2.71 116.42 121.13 1yff h ASP 73 Ca -0.04 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1yff h ASP 73 Cb 1.38 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.39 1yff h ASP 73 CO 0.13 0.55 -0.29 1.23 -2.88 0.00 0.00 179.24 177.98 1yff h GLY 74 N 1.25 0.00 1.84 -0.78 0.00 -1.24 -3.15 103.07 100.99 1yff h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1yff h GLY 74 CO 0.06 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.87 1yff h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -1.12 -3.06 115.31 117.62 1yff h LEU 75 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yff h LEU 75 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1yff h LEU 75 CO 0.01 0.01 -1.17 0.00 0.09 0.00 0.00 178.44 177.38 1yff n ALA 76 N -1.97 2.99 -2.71 1.53 0.00 -1.14 -4.39 120.51 114.81 1yff n ALA 76 Ca 0.04 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1yff n ALA 76 Cb 0.49 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1yff n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yff n HIS 77 N -2.26 2.67 0.26 0.00 8.25 -1.19 -4.89 115.22 118.06 1yff n HIS 77 Ca 0.00 -3.34 0.12 0.00 -0.26 0.00 0.00 57.72 54.24 1yff n HIS 77 Cb 0.50 -0.28 0.69 0.00 1.12 0.00 0.00 29.99 32.01 1yff n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yff h LEU 78 N 2.82 0.00 -0.02 2.41 3.38 -1.74 -2.81 115.31 119.35 1yff h LEU 78 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1yff h LEU 78 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1yff h LEU 78 CO 0.72 0.14 -0.55 0.44 0.09 0.00 0.00 178.44 179.27 1yff h ASP 79 N 0.00 0.00 -2.55 -0.43 3.32 -1.90 -3.39 116.42 111.47 1yff h ASP 79 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 1yff h ASP 79 Cb 0.36 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.52 1yff h ASP 79 CO 0.02 0.55 -0.89 0.21 -1.72 0.00 0.00 179.24 177.41 1yff s ASN 80 N -6.49 2.18 0.04 6.45 2.47 -1.06 -4.95 114.94 113.58 1yff s ASN 80 Ca 0.04 -3.07 0.08 0.00 0.42 0.00 0.00 52.86 50.33 1yff s ASN 80 Cb 0.08 -0.63 -0.23 0.00 -1.45 0.00 0.00 41.25 39.02 1yff s ASN 80 CO 0.75 -0.18 1.00 -0.07 -3.72 0.00 0.00 177.10 174.88 1yff h LEU 81 N 5.80 0.05 -0.54 3.21 3.38 -1.75 -3.24 115.31 122.21 1yff h LEU 81 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1yff h LEU 81 Cb 0.89 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1yff h LEU 81 CO 0.41 1.05 0.23 0.11 0.09 0.00 0.00 178.44 180.33 1yff h LYS 82 N 0.01 0.81 -0.00 1.13 1.57 -1.91 -1.89 116.57 116.28 1yff h LYS 82 Ca -0.14 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.32 1yff h LYS 82 Cb 1.89 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 1yff h LYS 82 CO 0.11 0.69 -0.82 0.78 -0.57 0.00 0.00 179.45 179.65 1yff h GLY 83 N 0.74 0.15 1.26 3.86 0.00 -1.95 -1.15 103.07 105.98 1yff h GLY 83 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1yff h GLY 83 CO -0.02 0.23 -0.33 -0.84 0.00 0.00 0.00 176.54 175.58 1yff h THR 84 N 0.08 1.28 -0.57 4.70 2.02 -1.56 -3.18 112.91 115.68 1yff h THR 84 Ca -0.03 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1yff h THR 84 Cb 1.43 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1yff h THR 84 CO 0.12 0.49 0.00 0.49 0.37 0.00 0.00 175.52 176.99 1yff n PHE 85 N -4.07 0.76 -0.33 3.16 3.01 -0.72 -4.60 117.46 114.67 1yff n PHE 85 Ca -0.01 -0.44 -0.00 0.00 1.01 0.00 0.00 57.45 58.01 1yff n PHE 85 Cb 0.50 -0.01 0.13 0.00 -0.01 0.00 0.00 39.48 40.10 1yff n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yff h ALA 86 N 3.83 1.21 -0.20 4.37 0.00 -1.18 0.35 119.26 127.64 1yff h ALA 86 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1yff h ALA 86 Cb 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yff h ALA 86 CO 0.00 0.39 -0.43 1.15 0.00 0.00 0.00 179.25 180.36 1yff h THR 87 N 1.09 1.33 0.00 0.00 2.02 -1.81 -2.93 112.91 112.59 1yff h THR 87 Ca 0.37 -1.66 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 1yff h THR 87 Cb 0.08 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1yff h THR 87 CO -0.14 0.52 -0.31 -0.07 0.37 0.00 0.00 175.52 175.88 1yff h LEU 88 N 0.32 0.00 -0.71 2.58 3.38 -1.78 -2.77 115.31 116.33 1yff h LEU 88 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1yff h LEU 88 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1yff h LEU 88 CO 0.09 0.31 -0.46 -1.28 0.09 0.00 0.00 178.44 177.20 1yff h SER 89 N 0.00 0.47 -0.09 -0.43 0.87 -0.24 -1.65 113.55 112.48 1yff h SER 89 Ca -0.00 -0.22 -0.16 0.00 -1.23 0.00 0.00 61.79 60.17 1yff h SER 89 Cb 0.81 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1yff h SER 89 CO 0.04 0.86 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.35 1yff h GLU 90 N 0.35 0.67 0.35 2.24 5.08 -1.31 -1.81 114.58 120.14 1yff h GLU 90 Ca 0.02 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1yff h GLU 90 Cb 0.94 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1yff h GLU 90 CO 0.08 1.02 -0.17 1.25 -1.00 0.00 0.00 179.01 180.20 1yff h LEU 91 N 0.52 -0.39 -1.43 1.33 5.85 -1.37 -1.48 115.31 118.34 1yff h LEU 91 Ca 0.02 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1yff h LEU 91 Cb 1.08 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1yff h LEU 91 CO 0.10 -0.00 -0.24 0.45 -0.34 0.00 0.00 178.44 178.41 1yff h HIS 92 N -0.85 0.00 0.00 1.25 3.86 -1.37 -0.46 115.15 117.58 1yff h HIS 92 Ca -0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1yff h HIS 92 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1yff h HIS 92 CO 0.03 0.24 -1.14 0.00 0.86 0.00 0.00 177.93 177.92 1yff h ASP 94 N -0.97 0.06 0.00 0.00 3.32 -1.45 -3.19 116.42 114.19 1yff h ASP 94 Ca -0.07 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1yff h ASP 94 Cb 1.04 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1yff h ASP 94 CO -0.04 0.92 -0.96 0.29 -1.72 0.00 0.00 179.24 177.73 1yff n LYS 95 N -3.52 0.51 0.10 3.56 5.02 -1.06 -4.71 118.16 118.06 1yff n LYS 95 Ca -0.01 0.32 -0.03 0.00 -2.02 0.00 0.00 58.31 56.58 1yff n LYS 95 Cb 0.84 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1yff n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yff h LEU 96 N -1.00 0.00 -1.45 -0.35 3.38 -1.28 -3.49 115.31 111.12 1yff h LEU 96 Ca -0.06 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.61 1yff h LEU 96 Cb 0.90 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.79 1yff h LEU 96 CO -0.04 0.77 -0.63 1.41 0.09 0.00 0.00 178.44 180.04 1yff n HIS 97 N -3.37 -2.05 -2.88 1.13 8.25 -1.13 -5.00 115.22 110.17 1yff n HIS 97 Ca 0.00 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 57.88 1yff n HIS 97 Cb 0.82 -4.58 -0.04 0.00 1.12 0.00 0.00 29.99 27.30 1yff n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yff s VAL 98 N -3.30 4.81 0.17 1.59 1.01 -0.21 -5.02 120.40 119.47 1yff s VAL 98 Ca 0.15 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1yff s VAL 98 Cb -0.07 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1yff s VAL 98 CO 0.62 0.27 1.46 -0.62 0.00 0.00 0.00 175.10 176.83 1yff s ASP 99 N 0.46 6.71 0.45 3.32 2.15 -1.26 -4.75 116.67 123.75 1yff s ASP 99 Ca 0.43 2.52 0.25 0.00 0.43 0.00 0.00 52.55 56.18 1yff s ASP 99 Cb -0.20 -2.60 1.37 0.00 -0.30 0.00 0.00 42.92 41.18 1yff s ASP 99 CO 0.24 -0.71 1.74 1.55 -0.17 0.00 0.00 175.17 177.82 1yff h PRO 100 N 6.22 0.00 0.00 4.34 0.13 -1.96 -1.99 132.00 138.74 1yff h PRO 100 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1yff h PRO 100 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1yff h PRO 100 CO 0.85 0.00 -0.29 1.49 -0.23 0.00 0.00 178.00 179.82 1yff h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.99 -2.84 114.58 115.18 1yff h GLU 101 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1yff h GLU 101 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1yff h GLU 101 CO 0.00 0.29 -0.33 -0.91 -1.18 0.00 0.00 179.01 176.88 1yff h ASN 102 N 0.00 0.00 -0.40 1.04 2.35 -1.74 -2.61 115.58 114.23 1yff h ASN 102 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1yff h ASN 102 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1yff h ASN 102 CO 0.04 0.33 -0.19 -0.26 -1.65 0.00 0.00 177.43 175.69 1yff h PHE 103 N 0.00 1.00 -0.16 1.19 0.04 -1.66 -1.57 116.94 115.78 1yff h PHE 103 Ca -0.00 -0.23 -0.15 0.00 2.80 0.00 0.00 57.97 60.39 1yff h PHE 103 Cb 0.96 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1yff h PHE 103 CO 0.00 1.00 -0.54 -0.09 -0.60 0.00 0.00 178.31 178.08 1yff h ARG 104 N 0.78 0.48 -0.26 1.51 2.43 -1.60 -2.53 114.38 115.19 1yff h ARG 104 Ca 0.11 -0.29 -0.18 0.00 -0.81 0.00 0.00 59.98 58.81 1yff h ARG 104 Cb 0.73 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1yff h ARG 104 CO 0.06 0.89 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.78 1yff h LEU 105 N 0.37 0.88 -0.79 3.80 3.38 -1.20 -2.03 115.31 119.72 1yff h LEU 105 Ca 0.01 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1yff h LEU 105 Cb 1.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1yff h LEU 105 CO 0.10 1.25 -0.20 0.25 0.09 0.00 0.00 178.44 179.92 1yff h LEU 106 N 0.60 0.70 -0.87 1.67 5.85 -1.26 -0.99 115.31 121.00 1yff h LEU 106 Ca 0.01 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 1yff h LEU 106 Cb 1.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1yff h LEU 106 CO 0.12 0.89 0.01 1.23 -0.34 0.00 0.00 178.44 180.35 1yff h GLY 107 N 0.98 0.91 2.00 3.75 0.00 -1.34 -0.13 103.07 109.25 1yff h GLY 107 Ca 0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1yff h GLY 107 CO 0.05 0.57 -0.62 3.43 0.00 0.00 0.00 176.54 179.97 1yff h ASN 108 N 0.79 0.00 0.89 0.19 4.21 -1.01 -2.12 115.58 118.53 1yff h ASN 108 Ca 0.15 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.49 1yff h ASN 108 Cb 0.46 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.63 1yff h ASN 108 CO 0.02 0.62 -0.84 0.58 -1.29 0.00 0.00 177.43 176.52 1yff h VAL 109 N 0.00 1.57 -0.39 2.81 2.07 -0.79 -2.33 116.25 119.18 1yff h VAL 109 Ca -0.01 -2.89 -0.09 0.00 0.82 0.00 0.00 66.70 64.53 1yff h VAL 109 Cb 1.23 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1yff h VAL 109 CO 0.08 0.82 -0.12 0.25 0.02 0.00 0.00 177.57 178.62 1yff h LEU 110 N 0.00 0.79 -1.27 2.57 5.85 -0.75 -0.57 115.31 121.93 1yff h LEU 110 Ca -0.01 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1yff h LEU 110 Cb 1.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1yff h LEU 110 CO 0.11 0.98 0.15 0.58 -0.34 0.00 0.00 178.44 179.92 1yff h VAL 111 N 0.59 1.18 -0.13 1.05 2.07 -1.34 0.87 116.25 120.54 1yff h VAL 111 Ca 0.10 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 66.85 1yff h VAL 111 Cb 0.65 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1yff h VAL 111 CO 0.04 0.23 -0.61 0.00 0.02 0.00 0.00 177.57 177.26 1yff h VAL 113 N 0.33 1.32 0.00 0.00 2.07 -0.20 -1.29 116.25 118.48 1yff h VAL 113 Ca -0.01 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 65.35 1yff h VAL 113 Cb 1.15 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1yff h VAL 113 CO 0.11 0.65 -0.34 -0.07 0.02 0.00 0.00 177.57 177.93 1yff h LEU 114 N 0.42 0.00 -0.18 2.57 3.38 -0.81 -0.98 115.31 119.72 1yff h LEU 114 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1yff h LEU 114 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1yff h LEU 114 CO 0.15 0.34 -0.94 0.00 0.09 0.00 0.00 178.44 178.09 1yff h ALA 115 N 1.66 0.37 -0.13 1.53 0.00 -1.24 -1.95 119.26 119.48 1yff h ALA 115 Ca -0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 1yff h ALA 115 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1yff h ALA 115 CO 0.04 0.82 -0.53 1.25 0.00 0.00 0.00 179.25 180.83 1yff h HIS 116 N 0.23 0.47 0.14 0.00 6.17 -0.70 -2.32 115.15 119.15 1yff h HIS 116 Ca -0.08 -0.16 -0.31 0.00 0.71 0.00 0.00 60.37 60.53 1yff h HIS 116 Cb 1.57 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 31.41 1yff h HIS 116 CO 0.06 0.83 -1.53 0.45 0.71 0.00 0.00 177.93 178.45 1yff h HIS 117 N 0.30 0.53 0.00 5.26 -0.00 -1.20 -3.40 115.15 116.64 1yff h HIS 117 Ca 0.01 -0.39 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1yff h HIS 117 Cb 1.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1yff h HIS 117 CO 0.03 1.42 -1.62 1.19 -0.00 0.00 0.00 177.93 178.96 1yff n PHE 118 N -3.50 0.00 -0.38 2.45 3.01 -0.74 -5.07 117.46 113.23 1yff n PHE 118 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1yff n PHE 118 Cb 1.05 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1yff n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yff n GLY 119 N 1.35 3.31 0.40 1.37 0.00 -0.87 -2.73 105.19 108.03 1yff n GLY 119 Ca -0.01 -0.17 0.20 0.00 0.00 0.00 0.00 46.02 46.04 1yff n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yff h LYS 120 N 0.00 0.21 0.00 1.61 6.56 -1.98 -1.08 116.57 121.89 1yff h LYS 120 Ca 0.00 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1yff h LYS 120 Cb 0.00 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1yff h LYS 120 CO 0.00 0.14 -0.06 1.49 -2.06 0.00 0.00 179.45 178.95 1yff h GLU 121 N 0.21 0.00 -3.43 3.15 4.81 -1.92 -3.09 114.58 114.31 1yff h GLU 121 Ca 0.37 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.85 1yff h GLU 121 Cb 1.14 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 1yff h GLU 121 CO -0.08 0.06 2.16 0.34 -0.73 0.00 0.00 179.01 180.77 1yff n PHE 122 N -3.95 2.92 -1.20 0.92 7.35 -0.41 -4.96 117.46 118.13 1yff n PHE 122 Ca -0.03 -2.80 -0.31 0.00 -0.76 0.00 0.00 57.45 53.55 1yff n PHE 122 Cb 0.15 -1.98 0.10 0.00 0.35 0.00 0.00 39.48 38.11 1yff n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yff s THR 123 N 0.43 2.97 0.31 -2.13 -4.23 -1.17 -4.78 115.64 107.05 1yff s THR 123 Ca 0.42 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.34 1yff s THR 123 Cb 0.11 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.53 1yff s THR 123 CO -0.01 -0.39 1.77 -0.65 -0.54 0.00 0.00 174.62 174.80 1yff h PRO 124 N -1.11 0.69 0.00 3.99 0.11 -1.93 -1.99 132.00 131.76 1yff h PRO 124 Ca -0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1yff h PRO 124 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yff h PRO 124 CO 0.49 0.46 -0.30 -1.35 -0.21 0.00 0.00 178.00 177.09 1yff h PRO 125 N 0.71 0.00 -0.26 1.05 0.11 -1.99 -2.27 132.00 129.35 1yff h PRO 125 Ca 0.58 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.52 1yff h PRO 125 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1yff h PRO 125 CO -0.38 0.30 -0.53 0.28 -0.21 0.00 0.00 178.00 177.47 1yff h VAL 126 N 0.00 1.29 -0.40 3.15 2.07 -1.74 -2.52 116.25 118.10 1yff h VAL 126 Ca -0.00 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1yff h VAL 126 Cb 0.86 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1yff h VAL 126 CO 0.04 0.56 0.12 -0.61 0.02 0.00 0.00 177.57 177.70 1yff h GLN 127 N 0.59 0.62 -0.61 1.57 4.15 -1.23 -1.74 115.11 118.47 1yff h GLN 127 Ca 0.02 -0.14 0.10 0.00 0.77 0.00 0.00 58.65 59.40 1yff h GLN 127 Cb 1.11 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1yff h GLN 127 CO 0.11 0.63 0.41 0.00 -1.93 0.00 0.00 178.83 178.04 1yff h ALA 128 N 0.97 2.02 -0.06 3.38 0.00 -1.28 0.18 119.26 124.47 1yff h ALA 128 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1yff h ALA 128 Cb 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yff h ALA 128 CO -0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 179.25 178.66 1yff h ALA 129 N 1.69 0.13 0.00 0.00 0.00 -1.07 -3.09 119.26 116.93 1yff h ALA 129 Ca 0.28 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1yff h ALA 129 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1yff h ALA 129 CO -0.08 0.27 -0.31 1.88 0.00 0.00 0.00 179.25 181.01 1yff h TYR 130 N -0.09 0.00 -0.10 0.00 0.05 -0.32 -2.56 116.97 113.96 1yff h TYR 130 Ca -0.04 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 1yff h TYR 130 Cb 1.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 1yff h TYR 130 CO 0.13 0.31 -0.55 1.96 -1.05 0.00 0.00 178.16 178.96 1yff h GLN 131 N 0.00 0.29 -0.24 4.88 1.08 -0.72 -0.92 115.11 119.48 1yff h GLN 131 Ca -0.00 -0.18 -0.16 0.00 -1.45 0.00 0.00 58.65 56.86 1yff h GLN 131 Cb 0.67 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1yff h GLN 131 CO 0.04 0.77 -0.48 0.87 -0.95 0.00 0.00 178.83 179.07 1yff h LYS 132 N 0.23 0.65 0.31 1.46 1.57 -1.38 -2.36 116.57 117.05 1yff h LYS 132 Ca 0.00 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1yff h LYS 132 Cb 1.04 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1yff h LYS 132 CO 0.09 0.99 -0.15 0.28 -0.57 0.00 0.00 179.45 180.08 1yff h VAL 133 N 0.51 0.64 0.00 0.50 2.07 -1.28 -1.93 116.25 116.76 1yff h VAL 133 Ca 0.03 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1yff h VAL 133 Cb 1.03 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1yff h VAL 133 CO 0.10 0.12 -0.07 -0.37 0.02 0.00 0.00 177.57 177.37 1yff h VAL 134 N -0.83 0.41 0.06 2.57 -1.51 -1.23 0.25 116.25 115.97 1yff h VAL 134 Ca -0.04 -0.35 -0.25 0.00 -1.23 0.00 0.00 66.70 64.82 1yff h VAL 134 Cb 0.52 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 1yff h VAL 134 CO 0.07 0.07 -1.23 0.00 -1.23 0.00 0.00 177.57 175.25 1yff h ALA 135 N 1.93 0.29 -0.19 5.19 0.00 -1.42 -2.56 119.26 122.50 1yff h ALA 135 Ca -0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 54.91 53.73 1yff h ALA 135 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yff h ALA 135 CO 0.01 1.17 -0.68 0.78 0.00 0.00 0.00 179.25 180.53 1yff h GLY 136 N 2.35 0.81 1.29 0.00 0.00 -0.39 -2.31 103.07 104.83 1yff h GLY 136 Ca -0.11 -1.06 -0.10 0.00 0.00 0.00 0.00 47.33 46.06 1yff h GLY 136 CO 0.16 0.95 -0.11 -2.08 0.00 0.00 0.00 176.54 175.45 1yff h VAL 137 N 0.53 1.26 -0.20 4.60 2.07 -1.06 -2.38 116.25 121.06 1yff h VAL 137 Ca -0.02 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1yff h VAL 137 Cb 1.28 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1yff h VAL 137 CO 0.14 0.41 0.02 0.00 0.02 0.00 0.00 177.57 178.16 1yff h ALA 138 N 1.12 0.27 -0.25 1.67 0.00 -1.38 -1.74 119.26 118.94 1yff h ALA 138 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1yff h ALA 138 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1yff h ALA 138 CO 0.04 -0.04 -0.22 -0.91 0.00 0.00 0.00 179.25 178.12 1yff h ASN 139 N 0.12 0.46 -0.22 0.00 2.35 -1.40 -1.83 115.58 115.07 1yff h ASN 139 Ca 0.06 -0.14 -0.20 0.00 -0.55 0.00 0.00 56.30 55.47 1yff h ASN 139 Cb 0.34 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1yff h ASN 139 CO 0.01 0.69 -0.62 0.00 -1.65 0.00 0.00 177.43 175.85 1yff h ALA 140 N 1.35 0.43 0.00 -0.83 0.00 -1.37 -2.97 119.26 115.88 1yff h ALA 140 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yff h ALA 140 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yff h ALA 140 CO 0.04 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.23 1yff h LEU 141 N 0.62 0.00 -3.19 0.00 5.85 -1.18 -3.02 115.31 114.39 1yff h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1yff h LEU 141 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1yff h LEU 141 CO 0.13 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1yff n ALA 142 N -1.99 3.18 0.11 1.25 0.00 -0.70 -4.44 120.51 117.91 1yff n ALA 142 Ca 0.03 -1.65 0.02 0.00 0.00 0.00 0.00 53.44 51.84 1yff n ALA 142 Cb 0.40 -1.02 0.36 0.00 0.00 0.00 0.00 19.45 19.19 1yff n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yff h HIS 143 N 4.10 0.25 0.00 0.00 2.76 -1.39 -2.83 115.15 118.04 1yff h HIS 143 Ca 0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1yff h HIS 143 Cb 1.52 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1yff h HIS 143 CO 0.81 0.41 0.00 1.63 -1.30 0.00 0.00 177.93 179.48 1yff n LYS 144 N -4.23 0.66 -0.01 5.26 4.76 -1.26 -2.07 118.16 121.27 1yff n LYS 144 Ca -0.01 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1yff n LYS 144 Cb 0.30 -1.39 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 1yff n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1yff n TYR 145 N -0.89 0.00 1.56 2.13 4.01 -1.07 -4.94 117.16 117.97 1yff n TYR 145 Ca 0.12 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.99 1yff n TYR 145 Cb 0.06 -0.35 0.74 0.00 -0.31 0.00 0.00 39.34 39.47 1yff n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12