#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 2.72 -0.16 3.52 3.76 -1.26 -4.96 115.29 118.91 1yff s HIS 2 Ca 0.00 -1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 53.69 1yff s HIS 2 Cb 0.00 -4.60 -0.04 0.00 1.11 0.00 0.00 32.58 29.05 1yff s HIS 2 CO 0.00 -1.81 0.33 -0.51 -0.85 0.00 0.00 174.74 171.91 1yff s LEU 3 N 4.28 4.24 0.35 0.89 1.02 -1.26 -5.08 118.68 123.12 1yff s LEU 3 Ca 0.43 0.56 -0.28 0.00 0.02 0.00 0.00 54.13 54.87 1yff s LEU 3 Cb -0.01 -2.44 -0.09 0.00 0.02 0.00 0.00 46.19 43.67 1yff s LEU 3 CO -0.08 0.07 1.22 -0.89 0.02 0.00 0.00 176.35 176.68 1yff s THR 4 N 0.58 3.01 0.47 5.49 2.01 -1.26 -4.85 115.64 121.09 1yff s THR 4 Ca 0.18 0.96 0.26 0.00 0.31 0.00 0.00 61.69 63.40 1yff s THR 4 Cb -0.13 -3.58 0.45 0.00 0.01 0.00 0.00 72.50 69.24 1yff s THR 4 CO 0.05 0.18 1.82 -0.65 -0.69 0.00 0.00 174.62 175.34 1yff h PRO 5 N 3.19 0.20 -0.00 4.92 0.11 -1.99 -0.13 132.00 138.29 1yff h PRO 5 Ca -0.48 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 1yff h PRO 5 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1yff h PRO 5 CO 0.65 0.13 -0.82 -0.22 -0.21 0.00 0.00 178.00 177.52 1yff h LYS 6 N 0.20 0.14 -0.06 1.05 3.64 -2.00 -2.97 116.57 116.58 1yff h LYS 6 Ca 0.52 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 1yff h LYS 6 Cb 1.68 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 1yff h LYS 6 CO -0.13 0.88 -0.72 0.93 -2.27 0.00 0.00 179.45 178.14 1yff h GLU 7 N 0.08 0.30 -0.33 1.90 5.08 -1.44 -2.24 114.58 117.93 1yff h GLU 7 Ca -0.03 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1yff h GLU 7 Cb 1.43 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1yff h GLU 7 CO 0.12 0.89 -0.11 0.87 -1.00 0.00 0.00 179.01 179.78 1yff h LYS 8 N 0.20 0.56 -0.08 2.33 1.57 -1.18 -1.93 116.57 118.03 1yff h LYS 8 Ca -0.02 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.40 1yff h LYS 8 Cb 1.28 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.54 1yff h LYS 8 CO 0.12 0.66 -0.69 0.77 -0.57 0.00 0.00 179.45 179.73 1yff h SER 9 N 0.51 0.74 0.51 0.86 0.02 -1.42 -3.04 113.55 111.74 1yff h SER 9 Ca 0.10 -0.68 -0.07 0.00 -0.84 0.00 0.00 61.79 60.29 1yff h SER 9 Cb 0.50 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1yff h SER 9 CO 0.03 1.31 -0.35 0.00 -1.14 0.00 0.00 176.83 176.68 1yff h ALA 10 N 0.45 1.24 0.16 3.77 0.00 -1.22 -2.69 119.26 120.97 1yff h ALA 10 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1yff h ALA 10 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1yff h ALA 10 CO 0.14 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 180.03 1yff h VAL 11 N 0.00 0.85 0.00 0.00 2.07 -1.39 -2.97 116.25 114.81 1yff h VAL 11 Ca -0.00 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1yff h VAL 11 Cb 0.70 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1yff h VAL 11 CO 0.05 0.22 -0.23 0.71 0.02 0.00 0.00 177.57 178.34 1yff h THR 12 N -0.85 1.16 -0.19 2.57 1.35 -1.56 0.12 112.91 115.51 1yff h THR 12 Ca -0.02 -0.78 -0.14 0.00 -0.55 0.00 0.00 66.41 64.91 1yff h THR 12 Cb 0.53 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1yff h THR 12 CO 0.04 0.22 -0.49 0.00 -0.25 0.00 0.00 175.52 175.04 1yff h ALA 13 N 1.77 0.80 0.06 6.62 0.00 -1.58 -1.95 119.26 124.99 1yff h ALA 13 Ca -0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.17 1yff h ALA 13 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yff h ALA 13 CO 0.03 0.67 -1.25 1.25 0.00 0.00 0.00 179.25 179.95 1yff h LEU 14 N 0.40 0.21 -0.97 0.00 7.12 -1.30 -3.31 115.31 117.46 1yff h LEU 14 Ca 0.02 -0.25 -0.04 0.00 0.13 0.00 0.00 57.88 57.73 1yff h LEU 14 Cb 1.01 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1yff h LEU 14 CO 0.09 1.20 -0.20 -0.25 -0.13 0.00 0.00 178.44 179.15 1yff h TRP 15 N 0.04 0.00 0.00 1.25 2.91 -0.81 -2.91 115.95 116.42 1yff h TRP 15 Ca -0.12 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.90 1yff h TRP 15 Cb 1.91 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.56 1yff h TRP 15 CO 0.03 0.20 0.00 0.41 -1.03 0.00 0.00 178.44 178.06 1yff n GLY 16 N 0.31 -1.61 0.93 2.65 0.00 -0.75 -2.85 105.19 103.87 1yff n GLY 16 Ca 0.01 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1yff n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yff n LYS 17 N -2.29 2.18 -2.42 1.61 5.02 -1.10 -4.97 118.16 116.19 1yff n LYS 17 Ca 0.05 -1.90 -0.42 0.00 -2.02 0.00 0.00 58.31 54.02 1yff n LYS 17 Cb 0.38 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.83 3.93 -0.78 -0.18 1.01 -1.13 -4.97 120.40 116.46 1yff s VAL 18 Ca 0.28 1.44 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 1yff s VAL 18 Cb 0.19 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1yff s VAL 18 CO 0.29 0.14 1.54 0.21 0.00 0.00 0.00 175.10 177.28 1yff s ASN 19 N 0.81 5.87 0.64 3.32 3.84 -1.26 -4.86 114.94 123.29 1yff s ASN 19 Ca 0.57 -0.46 0.36 0.00 0.21 0.00 0.00 52.86 53.54 1yff s ASN 19 Cb -0.30 -2.55 2.03 0.00 -0.55 0.00 0.00 41.25 39.87 1yff s ASN 19 CO 0.31 -2.02 2.21 -0.37 -2.79 0.00 0.00 177.10 174.44 1yff h VAL 20 N 6.54 0.19 0.05 -5.21 -1.51 -1.95 -2.18 116.25 112.18 1yff h VAL 20 Ca -0.14 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.04 1yff h VAL 20 Cb 1.07 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 1yff h VAL 20 CO 1.28 0.00 -1.55 0.44 -1.23 0.00 0.00 177.57 176.51 1yff h ASP 21 N 0.00 0.16 0.00 4.19 5.19 -1.97 -3.43 116.42 120.56 1yff h ASP 21 Ca 0.02 -0.27 -0.24 0.00 -0.62 0.00 0.00 57.03 55.92 1yff h ASP 21 Cb 0.23 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 1yff h ASP 21 CO -0.00 1.23 -1.79 -0.62 -3.12 0.00 0.00 179.24 174.94 1yff n GLU 22 N -3.27 0.56 -0.32 3.56 1.02 -1.03 -4.63 120.64 116.52 1yff n GLU 22 Ca -0.15 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1yff n GLU 22 Cb 1.03 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 31.06 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 -1.00 0.08 -0.45 2.62 2.07 -1.68 -1.34 116.25 116.55 1yff h VAL 23 Ca -0.36 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1yff h VAL 23 Cb 1.31 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1yff h VAL 23 CO -0.22 0.00 -0.05 1.23 0.02 0.00 0.00 177.57 178.55 1yff h GLY 24 N -0.03 0.82 2.00 2.17 0.00 -1.80 -1.07 103.07 105.16 1yff h GLY 24 Ca 0.37 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1yff h GLY 24 CO -0.91 0.53 -0.21 -1.33 0.00 0.00 0.00 176.54 174.61 1yff h GLY 25 N 0.97 0.00 1.62 4.60 0.00 -1.46 -2.59 103.07 106.20 1yff h GLY 25 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.20 1yff h GLY 25 CO 0.03 0.00 -1.26 0.83 0.00 0.00 0.00 176.54 176.14 1yff h GLU 26 N 0.00 0.17 -0.13 4.80 5.08 -0.79 -2.40 114.58 121.31 1yff h GLU 26 Ca -0.00 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1yff h GLU 26 Cb 0.78 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1yff h GLU 26 CO 0.03 1.09 -0.02 0.00 -1.00 0.00 0.00 179.01 179.11 1yff h ALA 27 N 0.71 0.18 -0.41 3.43 0.00 -1.03 -0.93 119.26 121.21 1yff h ALA 27 Ca -0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1yff h ALA 27 Cb 1.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1yff h ALA 27 CO 0.17 -0.10 -0.22 1.25 0.00 0.00 0.00 179.25 180.35 1yff h LEU 28 N -0.06 0.90 -0.28 0.00 5.85 -1.59 -2.23 115.31 117.90 1yff h LEU 28 Ca 0.03 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1yff h LEU 28 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1yff h LEU 28 CO 0.01 1.11 0.15 1.23 -0.34 0.00 0.00 178.44 180.60 1yff h GLY 29 N 0.68 0.38 1.82 3.75 0.00 -1.38 -2.15 103.07 106.18 1yff h GLY 29 Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1yff h GLY 29 CO 0.06 0.09 -0.34 3.21 0.00 0.00 0.00 176.54 179.56 1yff h ARG 30 N 0.31 0.21 -0.87 4.80 3.08 -1.11 -2.33 114.38 118.45 1yff h ARG 30 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1yff h ARG 30 Cb 0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1yff h ARG 30 CO -0.07 0.53 0.44 1.25 -1.07 0.00 0.00 179.97 181.05 1yff h LEU 31 N 0.18 1.12 -0.82 3.04 5.85 -0.85 0.16 115.31 123.99 1yff h LEU 31 Ca 0.02 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1yff h LEU 31 Cb 0.69 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1yff h LEU 31 CO 0.05 0.92 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.62 1yff h LEU 32 N 1.23 0.00 0.08 2.25 3.38 -0.89 -0.88 115.31 120.47 1yff h LEU 32 Ca 0.30 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.00 1yff h LEU 32 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1yff h LEU 32 CO -0.04 0.38 -1.44 0.58 0.09 0.00 0.00 178.44 178.02 1yff h VAL 33 N 0.00 0.94 -0.07 1.22 2.07 -0.95 -3.24 116.25 116.22 1yff h VAL 33 Ca -0.00 -2.32 -0.21 0.00 0.82 0.00 0.00 66.70 64.98 1yff h VAL 33 Cb 0.96 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1yff h VAL 33 CO 0.05 0.63 -0.82 0.58 0.02 0.00 0.00 177.57 178.04 1yff h VAL 34 N -0.45 1.35 -2.77 2.57 2.07 -0.77 -3.37 116.25 114.88 1yff h VAL 34 Ca -0.33 -2.18 -0.61 0.00 0.82 0.00 0.00 66.70 64.40 1yff h VAL 34 Cb 1.66 2.17 -0.41 0.00 -1.52 0.00 0.00 31.29 33.19 1yff h VAL 34 CO -0.01 0.66 -0.69 -1.22 0.02 0.00 0.00 177.57 176.33 1yff n TYR 35 N -3.84 2.16 -0.28 1.57 4.01 -0.34 -5.00 117.16 115.44 1yff n TYR 35 Ca -0.06 -4.03 0.32 0.00 -0.16 0.00 0.00 57.90 53.97 1yff n TYR 35 Cb 0.76 -0.40 0.72 0.00 -0.31 0.00 0.00 39.34 40.12 1yff n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yff h PRO 36 N 5.25 0.03 -0.03 -0.72 0.11 -1.73 -2.55 132.00 132.36 1yff h PRO 36 Ca 0.18 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.30 1yff h PRO 36 Cb 0.78 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1yff h PRO 36 CO 0.64 0.02 0.04 0.11 -0.21 0.00 0.00 178.00 178.60 1yff h TRP 37 N 0.04 0.00 0.00 0.65 0.09 -1.91 -1.49 115.95 113.32 1yff h TRP 37 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.51 1yff h TRP 37 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.28 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 -1.78 -2.99 112.91 109.62 1yff h THR 38 Ca 0.01 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1yff h THR 38 Cb 0.09 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1yff h THR 38 CO -0.00 0.00 -0.10 1.56 -0.25 0.00 0.00 175.52 176.73 1yff h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.49 -2.91 115.11 119.63 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 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1yff h GLN 39 CO 0.00 0.10 0.00 2.89 -0.67 0.00 0.00 178.83 181.15 1yff n ARG 40 N -3.33 0.05 0.01 1.46 1.85 -1.13 -1.97 116.66 113.59 1yff n ARG 40 Ca -0.01 0.23 0.11 0.00 -1.00 0.00 0.00 57.85 57.19 1yff n ARG 40 Cb 0.29 -1.58 0.08 0.00 -1.05 0.00 0.00 32.46 30.21 1yff n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1yff n PHE 41 N -1.66 0.10 -3.03 2.89 3.01 -1.10 -4.38 117.46 113.29 1yff n PHE 41 Ca 0.04 0.03 -0.24 0.00 1.01 0.00 0.00 57.45 58.29 1yff n PHE 41 Cb 0.22 -0.25 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.66 2.83 0.08 1.38 3.01 -0.83 -4.86 117.46 117.40 1yff n PHE 42 Ca 0.04 -3.94 -0.05 0.00 1.01 0.00 0.00 57.45 54.50 1yff n PHE 42 Cb 0.37 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 39.30 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 3.02 0.00 0.00 -1.08 5.08 -1.76 -3.27 114.58 116.57 1yff h GLU 43 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1yff h GLU 43 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1yff h GLU 43 CO 0.72 0.90 0.00 -1.13 -1.00 0.00 0.00 179.01 178.50 1yff n SER 44 N -3.38 0.00 0.21 1.42 3.41 -1.26 -3.80 113.62 110.21 1yff n SER 44 Ca 0.00 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1yff n SER 44 Cb 0.88 -0.50 0.24 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 0.00 0.00 7.33 0.05 -1.96 -3.50 116.94 118.85 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 0.37 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.32 1yff h PHE 45 CO 0.00 0.18 0.00 0.41 -0.18 0.00 0.00 178.31 178.72 1yff n GLY 46 N 0.84 0.56 3.59 -1.45 0.00 -1.25 -4.71 105.19 102.77 1yff n GLY 46 Ca 0.02 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 5.70 -0.09 1.61 3.68 -1.26 -4.82 116.67 117.48 1yff s ASP 47 Ca 0.00 1.16 0.14 0.00 2.13 0.00 0.00 52.55 55.98 1yff s ASP 47 Cb 0.00 -2.52 0.29 0.00 -1.45 0.00 0.00 42.92 39.23 1yff s ASP 47 CO 0.00 -1.89 1.14 0.18 0.13 0.00 0.00 175.17 174.73 1yff n LEU 48 N 11.02 1.59 -0.02 -1.34 4.77 -1.26 -4.14 117.00 127.63 1yff n LEU 48 Ca 0.23 -2.57 -0.13 0.00 -0.03 0.00 0.00 56.01 53.51 1yff n LEU 48 Cb 0.48 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1yff n LEU 48 CO 0.69 0.74 0.62 0.77 -1.33 0.00 0.00 177.39 178.88 1yff h SER 49 N 0.49 0.05 -2.51 -1.43 4.64 -1.92 -3.45 113.55 109.41 1yff h SER 49 Ca -0.05 -0.51 -0.56 0.00 -0.47 0.00 0.00 61.79 60.20 1yff h SER 49 Cb 1.29 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.29 1yff h SER 49 CO 0.02 0.55 -0.59 0.42 -0.87 0.00 0.00 176.83 176.36 1yff s THR 50 N -4.17 4.14 0.28 2.95 -4.23 -1.26 -5.04 115.64 108.31 1yff s THR 50 Ca -0.16 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1yff s THR 50 Cb 0.02 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.97 1yff s THR 50 CO 0.69 -0.22 1.91 -0.65 -0.54 0.00 0.00 174.62 175.81 1yff h PRO 51 N 2.12 1.11 -0.10 3.99 0.11 -1.99 -2.45 132.00 134.77 1yff h PRO 51 Ca -0.47 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1yff h PRO 51 Cb 1.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1yff h PRO 51 CO 0.61 0.73 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.43 1yff h ASP 52 N 1.14 0.17 0.49 -2.05 3.32 -1.99 -2.45 116.42 115.06 1yff h ASP 52 Ca 0.39 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.23 1yff h ASP 52 Cb 0.09 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1yff h ASP 52 CO -0.13 0.44 -0.70 0.00 -1.72 0.00 0.00 179.24 177.12 1yff h ALA 53 N 1.58 0.75 -0.17 3.45 0.00 -1.77 0.02 119.26 123.11 1yff h ALA 53 Ca 0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1yff h ALA 53 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yff h ALA 53 CO 0.04 0.81 -0.22 0.28 0.00 0.00 0.00 179.25 180.16 1yff h VAL 54 N 0.12 1.35 -0.16 0.00 2.07 -1.12 -1.50 116.25 117.01 1yff h VAL 54 Ca -0.02 -1.42 -0.17 0.00 0.82 0.00 0.00 66.70 65.90 1yff h VAL 54 Cb 1.25 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1yff h VAL 54 CO 0.11 0.43 -0.62 0.24 0.02 0.00 0.00 177.57 177.75 1yff h MET 55 N 0.09 0.57 -0.01 1.57 2.07 -1.45 -3.08 114.93 114.68 1yff h MET 55 Ca 0.02 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.26 1yff h MET 55 Cb 0.78 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.57 1yff h MET 55 CO 0.05 1.01 -0.03 0.41 1.07 0.00 0.00 176.91 179.42 1yff n GLY 56 N 0.38 -0.61 3.69 8.32 0.00 -0.01 -4.84 105.19 112.11 1yff n GLY 56 Ca -0.04 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.13 7.00 0.26 1.61 3.84 -0.57 -4.96 114.94 120.00 1yff s ASN 57 Ca 0.39 1.90 -0.04 0.00 0.21 0.00 0.00 52.86 55.32 1yff s ASN 57 Cb 0.21 -2.56 0.32 0.00 -0.55 0.00 0.00 41.25 38.67 1yff s ASN 57 CO 0.39 -0.62 1.89 -0.65 -2.79 0.00 0.00 177.10 175.32 1yff h PRO 58 N 7.54 1.15 -0.23 0.43 0.11 -1.90 -3.01 132.00 136.10 1yff h PRO 58 Ca -0.35 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1yff h PRO 58 Cb 1.17 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1yff h PRO 58 CO 0.89 0.83 -0.18 0.87 -0.21 0.00 0.00 178.00 180.20 1yff h LYS 59 N 1.16 0.40 -0.06 1.05 1.79 -1.93 -1.72 116.57 117.26 1yff h LYS 59 Ca 0.30 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1yff h LYS 59 Cb 0.00 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1yff h LYS 59 CO -0.05 0.57 -0.04 0.28 -1.08 0.00 0.00 179.45 179.13 1yff h VAL 60 N 0.37 1.33 -0.60 0.50 2.07 -1.84 -1.46 116.25 116.62 1yff h VAL 60 Ca 0.06 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1yff h VAL 60 Cb 0.53 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1yff h VAL 60 CO 0.03 0.29 0.32 0.11 0.02 0.00 0.00 177.57 178.35 1yff h LYS 61 N -0.25 0.84 -0.32 1.57 1.57 -1.42 0.42 116.57 118.99 1yff h LYS 61 Ca 0.01 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1yff h LYS 61 Cb 0.49 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1yff h LYS 61 CO 0.01 0.65 -0.39 0.00 -0.57 0.00 0.00 179.45 179.16 1yff h ALA 62 N 1.15 0.72 0.00 3.86 0.00 -1.35 -1.71 119.26 121.93 1yff h ALA 62 Ca 0.21 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1yff h ALA 62 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1yff h ALA 62 CO -0.03 0.66 -0.64 1.25 0.00 0.00 0.00 179.25 180.49 1yff h HIS 63 N 0.62 0.00 -0.07 0.00 -0.00 -1.06 -3.25 115.15 111.38 1yff h HIS 63 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.29 1yff h HIS 63 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 1yff h HIS 63 CO 0.05 0.64 -0.57 0.78 -0.00 0.00 0.00 177.93 178.83 1yff h GLY 64 N 3.12 0.25 2.00 5.26 0.00 0.16 -2.41 103.07 111.45 1yff h GLY 64 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1yff h GLY 64 CO 0.08 0.27 -0.24 1.70 0.00 0.00 0.00 176.54 178.35 1yff h LYS 65 N 0.17 0.00 0.09 4.80 3.64 -1.36 -1.95 116.57 121.98 1yff h LYS 65 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1yff h LYS 65 Cb 1.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1yff h LYS 65 CO 0.09 0.24 -1.17 0.87 -2.27 0.00 0.00 179.45 177.21 1yff h LYS 66 N 0.00 0.22 -0.31 1.90 1.57 -1.54 -2.39 116.57 116.02 1yff h LYS 66 Ca -0.00 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.26 1yff h LYS 66 Cb 0.59 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1yff h LYS 66 CO 0.03 1.16 -0.41 0.28 -0.57 0.00 0.00 179.45 179.94 1yff h VAL 67 N 0.07 1.29 -0.01 0.50 2.07 -1.02 -2.51 116.25 116.63 1yff h VAL 67 Ca -0.10 -1.59 -0.11 0.00 0.82 0.00 0.00 66.70 65.72 1yff h VAL 67 Cb 1.90 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1yff h VAL 67 CO 0.19 0.52 -0.51 0.25 0.02 0.00 0.00 177.57 178.03 1yff h LEU 68 N 0.62 0.03 -0.80 2.57 5.85 -1.41 -2.06 115.31 120.11 1yff h LEU 68 Ca 0.05 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1yff h LEU 68 Cb 0.97 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1yff h LEU 68 CO 0.09 0.53 -0.33 1.23 -0.34 0.00 0.00 178.44 179.62 1yff h GLY 69 N 1.52 0.00 1.87 3.75 0.00 -1.21 -1.24 103.07 107.75 1yff h GLY 69 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1yff h GLY 69 CO 0.07 0.00 -1.09 0.00 0.00 0.00 0.00 176.54 175.52 1yff h ALA 70 N 1.67 0.31 -0.01 3.60 0.00 -0.99 -2.25 119.26 121.58 1yff h ALA 70 Ca -0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 54.91 53.78 1yff h ALA 70 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1yff h ALA 70 CO 0.04 1.20 -0.85 0.74 0.00 0.00 0.00 179.25 180.38 1yff h PHE 71 N 0.02 0.36 -0.12 0.00 -1.00 -1.18 -2.30 116.94 112.72 1yff h PHE 71 Ca -0.05 -0.19 -0.15 0.00 2.81 0.00 0.00 57.97 60.39 1yff h PHE 71 Cb 1.83 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.34 1yff h PHE 71 CO 0.02 0.98 -0.58 0.77 -1.61 0.00 0.00 178.31 177.89 1yff h SER 72 N 0.14 0.42 -0.23 2.17 0.02 -1.26 -2.10 113.55 112.71 1yff h SER 72 Ca -0.04 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1yff h SER 72 Cb 1.47 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 1yff h SER 72 CO 0.13 0.90 -0.18 0.44 -1.14 0.00 0.00 176.83 176.99 1yff h ASP 73 N 0.28 0.67 0.85 3.07 3.32 -1.33 -2.84 116.42 120.45 1yff h ASP 73 Ca -0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 1yff h ASP 73 Cb 1.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1yff h ASP 73 CO 0.10 0.86 -0.59 1.23 -1.72 0.00 0.00 179.24 179.12 1yff h GLY 74 N 0.98 0.00 2.00 2.75 0.00 -1.17 -3.09 103.07 104.55 1yff h GLY 74 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1yff h GLY 74 CO 0.05 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.98 1yff h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -1.14 -2.76 115.31 117.91 1yff h LEU 75 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yff h LEU 75 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1yff h LEU 75 CO 0.08 0.01 -1.23 0.00 0.09 0.00 0.00 178.44 177.39 1yff n ALA 76 N -2.10 2.84 -2.55 1.53 0.00 -1.18 -4.38 120.51 114.66 1yff n ALA 76 Ca 0.02 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1yff n ALA 76 Cb 0.39 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.37 2.84 0.28 0.00 8.25 -1.10 -4.90 115.22 118.22 1yff n HIS 77 Ca -0.00 -3.08 0.14 0.00 -0.26 0.00 0.00 57.72 54.51 1yff n HIS 77 Cb 0.52 -0.18 0.81 0.00 1.12 0.00 0.00 29.99 32.27 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 2.71 0.00 0.00 2.41 3.38 -1.70 -2.64 115.31 119.47 1yff h LEU 78 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1yff h LEU 78 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1yff h LEU 78 CO 0.76 0.06 -0.49 -2.24 0.09 0.00 0.00 178.44 176.61 1yff h ASP 79 N 0.00 0.00 -2.09 -0.43 2.03 -1.90 -3.38 116.42 110.64 1yff h ASP 79 Ca -0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1yff h ASP 79 Cb 0.16 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.26 1yff h ASP 79 CO 0.01 0.24 -0.94 -3.20 -1.03 0.00 0.00 179.24 174.32 1yff n ASN 80 N -3.05 1.25 0.10 4.15 5.15 -1.00 -4.93 115.26 116.93 1yff n ASN 80 Ca 0.01 -2.91 -0.03 0.00 -0.60 0.00 0.00 54.58 51.06 1yff n ASN 80 Cb 0.64 -0.65 -0.04 0.00 -0.53 0.00 0.00 39.78 39.20 1yff n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yff h LEU 81 N 4.15 0.00 -0.41 1.20 3.38 -1.74 -3.09 115.31 118.79 1yff h LEU 81 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yff h LEU 81 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1yff h LEU 81 CO 0.57 0.77 0.12 0.50 0.09 0.00 0.00 178.44 180.49 1yff h LYS 82 N 0.00 0.65 0.00 1.13 3.64 -1.91 -2.22 116.57 117.87 1yff h LYS 82 Ca -0.01 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1yff h LYS 82 Cb 1.58 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1yff h LYS 82 CO 0.10 0.66 -0.56 0.78 -2.27 0.00 0.00 179.45 178.16 1yff h GLY 83 N 0.53 0.00 1.32 5.01 0.00 -1.95 -2.57 103.07 105.41 1yff h GLY 83 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 1yff h GLY 83 CO -0.00 0.00 -0.76 -0.84 0.00 0.00 0.00 176.54 174.94 1yff h THR 84 N 0.00 1.31 -0.59 4.70 2.02 -1.45 -3.25 112.91 115.66 1yff h THR 84 Ca -0.01 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1yff h THR 84 Cb 1.31 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1yff h THR 84 CO 0.07 0.63 0.00 0.49 0.37 0.00 0.00 175.52 177.08 1yff n PHE 85 N -3.90 1.48 -0.09 3.16 3.01 -0.85 -4.63 117.46 115.65 1yff n PHE 85 Ca -0.06 -0.65 -0.07 0.00 1.01 0.00 0.00 57.45 57.68 1yff n PHE 85 Cb 0.73 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 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 3.77 0.36 -0.33 4.37 0.00 -1.49 0.13 119.26 126.07 1yff h ALA 86 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1yff h ALA 86 Cb 1.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1yff h ALA 86 CO 0.26 -0.29 -0.48 1.15 0.00 0.00 0.00 179.25 179.89 1yff h THR 87 N 0.25 1.27 0.00 0.00 2.02 -1.84 -2.95 112.91 111.66 1yff h THR 87 Ca 0.14 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.64 1yff h THR 87 Cb 0.11 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1yff h THR 87 CO -0.14 0.55 -0.12 -0.07 0.37 0.00 0.00 175.52 176.11 1yff h LEU 88 N 0.71 0.00 -0.39 2.58 3.38 -1.82 -2.56 115.31 117.20 1yff h LEU 88 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1yff h LEU 88 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1yff h LEU 88 CO 0.11 0.12 -0.80 -1.28 0.09 0.00 0.00 178.44 176.67 1yff h SER 89 N 0.00 0.13 0.31 -0.43 0.87 -0.62 -1.86 113.55 111.95 1yff h SER 89 Ca -0.00 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 1yff h SER 89 Cb 0.73 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1yff h SER 89 CO 0.02 0.88 -0.82 -0.33 -0.53 0.00 0.00 176.83 176.05 1yff h GLU 90 N 0.06 0.39 0.24 2.24 5.08 -1.32 -2.29 114.58 118.97 1yff h GLU 90 Ca -0.02 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1yff h GLU 90 Cb 1.41 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1yff h GLU 90 CO 0.11 1.02 -0.11 1.25 -1.00 0.00 0.00 179.01 180.27 1yff h LEU 91 N 0.25 -0.27 -1.25 1.33 5.85 -1.39 -2.44 115.31 117.38 1yff h LEU 91 Ca -0.05 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1yff h LEU 91 Cb 1.42 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1yff h LEU 91 CO 0.14 0.18 -0.08 0.45 -0.34 0.00 0.00 178.44 178.78 1yff h HIS 92 N -0.80 0.00 0.00 1.25 3.86 -1.44 -0.97 115.15 117.05 1yff h HIS 92 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1yff h HIS 92 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1yff h HIS 92 CO 0.05 0.08 -0.44 0.00 0.86 0.00 0.00 177.93 178.48 1yff h ASP 94 N -0.44 0.26 0.00 0.00 3.32 -1.61 -3.02 116.42 114.92 1yff h ASP 94 Ca 0.00 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 1yff h ASP 94 Cb 0.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1yff h ASP 94 CO 0.00 0.64 -1.49 0.29 -1.72 0.00 0.00 179.24 176.96 1yff n LYS 95 N -4.03 0.55 0.10 3.56 5.02 -1.10 -4.73 118.16 117.53 1yff n LYS 95 Ca -0.01 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1yff n LYS 95 Cb 0.47 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.56 -0.35 3.38 -1.37 -3.49 115.31 110.92 1yff h LEU 96 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 1yff h LEU 96 Cb 1.18 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.09 1yff h LEU 96 CO -0.15 0.72 -0.75 1.41 0.09 0.00 0.00 178.44 179.76 1yff n HIS 97 N -3.26 -2.23 -2.94 1.13 8.25 -1.14 -4.99 115.22 110.03 1yff n HIS 97 Ca 0.01 0.93 -0.40 0.00 -0.26 0.00 0.00 57.72 57.99 1yff n HIS 97 Cb 0.83 -5.03 -0.04 0.00 1.12 0.00 0.00 29.99 26.87 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 -3.35 4.93 0.18 1.59 1.01 -0.51 -5.02 120.40 119.23 1yff s VAL 98 Ca 0.07 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 1yff s VAL 98 Cb -0.03 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1yff s VAL 98 CO 0.72 0.25 1.47 -0.62 0.00 0.00 0.00 175.10 176.92 1yff s ASP 99 N 0.68 6.68 0.64 3.32 2.15 -1.26 -4.77 116.67 124.10 1yff s ASP 99 Ca 0.42 2.56 0.29 0.00 0.43 0.00 0.00 52.55 56.25 1yff s ASP 99 Cb -0.19 -2.60 1.57 0.00 -0.30 0.00 0.00 42.92 41.40 1yff s ASP 99 CO 0.22 -0.73 1.91 1.55 -0.17 0.00 0.00 175.17 177.95 1yff h PRO 100 N 6.16 0.00 0.00 4.34 0.13 -1.96 -1.72 132.00 138.96 1yff h PRO 100 Ca -0.44 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 -0.28 1.49 -0.23 0.00 0.00 178.00 179.83 1yff h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.99 -2.57 114.58 115.45 1yff h GLU 101 Ca 0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1yff h GLU 101 Cb 0.81 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1yff h GLU 101 CO -0.00 0.28 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.12 1yff h ASN 102 N 0.00 0.00 -0.30 1.04 2.35 -1.69 -2.74 115.58 114.25 1yff h ASN 102 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 1yff h ASN 102 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1yff h ASN 102 CO 0.04 0.08 -0.50 -0.26 -1.65 0.00 0.00 177.43 175.14 1yff h PHE 103 N 0.00 1.08 -0.22 1.19 0.04 -1.61 -2.42 116.94 115.00 1yff h PHE 103 Ca -0.00 -0.37 -0.11 0.00 2.80 0.00 0.00 57.97 60.29 1yff h PHE 103 Cb 0.78 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1yff h PHE 103 CO 0.00 1.20 -0.32 -0.09 -0.60 0.00 0.00 178.31 178.50 1yff h ARG 104 N 0.65 0.46 -0.37 1.51 2.43 -1.58 -2.62 114.38 114.86 1yff h ARG 104 Ca 0.02 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1yff h ARG 104 Cb 1.11 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1yff h ARG 104 CO 0.11 0.73 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.86 1yff h LEU 105 N 0.40 0.93 -0.71 3.80 3.38 -1.35 -2.15 115.31 119.61 1yff h LEU 105 Ca 0.05 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1yff h LEU 105 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1yff h LEU 105 CO 0.06 1.20 -0.53 0.25 0.09 0.00 0.00 178.44 179.51 1yff h LEU 106 N 0.72 0.35 -0.68 1.67 5.85 -1.36 -1.24 115.31 120.61 1yff h LEU 106 Ca 0.06 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1yff h LEU 106 Cb 0.96 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1yff h LEU 106 CO 0.09 0.81 -0.23 1.23 -0.34 0.00 0.00 178.44 180.00 1yff h GLY 107 N 1.31 0.83 1.99 3.75 0.00 -1.38 -0.64 103.07 108.92 1yff h GLY 107 Ca 0.01 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.47 1yff h GLY 107 CO 0.09 0.65 -0.70 3.43 0.00 0.00 0.00 176.54 180.01 1yff h ASN 108 N 0.67 0.02 0.71 0.19 2.35 -1.18 -2.31 115.58 116.01 1yff h ASN 108 Ca 0.09 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.64 1yff h ASN 108 Cb 0.75 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1yff h ASN 108 CO 0.06 0.71 -0.86 0.58 -1.65 0.00 0.00 177.43 176.27 1yff h VAL 109 N 0.01 1.55 -0.54 2.81 2.07 -1.02 -2.28 116.25 118.84 1yff h VAL 109 Ca -0.01 -2.74 -0.10 0.00 0.82 0.00 0.00 66.70 64.67 1yff h VAL 109 Cb 1.24 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1yff h VAL 109 CO 0.09 0.79 -0.05 0.25 0.02 0.00 0.00 177.57 178.67 1yff h LEU 110 N 0.05 0.99 -1.25 2.57 5.85 -0.91 -0.86 115.31 121.74 1yff h LEU 110 Ca -0.03 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1yff h LEU 110 Cb 1.50 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1yff h LEU 110 CO 0.12 1.08 0.10 0.58 -0.34 0.00 0.00 178.44 179.98 1yff h VAL 111 N 0.87 1.19 0.00 1.05 2.07 -1.33 0.11 116.25 120.21 1yff h VAL 111 Ca 0.15 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1yff h VAL 111 Cb 0.61 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1yff h VAL 111 CO 0.04 0.24 -0.62 0.00 0.02 0.00 0.00 177.57 177.25 1yff h VAL 113 N 0.00 1.52 -0.05 0.00 2.07 -0.14 -1.87 116.25 117.78 1yff h VAL 113 Ca -0.01 -3.12 -0.10 0.00 0.82 0.00 0.00 66.70 64.30 1yff h VAL 113 Cb 1.20 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 1yff h VAL 113 CO 0.08 0.90 -0.41 -0.07 0.02 0.00 0.00 177.57 178.10 1yff h LEU 114 N 0.06 0.11 -0.12 2.57 3.38 -0.73 -1.22 115.31 119.36 1yff h LEU 114 Ca -0.12 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 1yff h LEU 114 Cb 1.94 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1yff h LEU 114 CO 0.19 0.51 -1.00 0.00 0.09 0.00 0.00 178.44 178.23 1yff h ALA 115 N 1.49 0.36 -0.11 1.53 0.00 -1.35 -2.24 119.26 118.94 1yff h ALA 115 Ca 0.01 -0.80 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 1yff h ALA 115 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1yff h ALA 115 CO 0.06 0.98 -0.61 1.25 0.00 0.00 0.00 179.25 180.93 1yff h HIS 116 N 0.09 0.49 0.21 0.00 6.17 -0.95 -1.98 115.15 119.18 1yff h HIS 116 Ca -0.07 -0.19 -0.34 0.00 0.71 0.00 0.00 60.37 60.49 1yff h HIS 116 Cb 1.68 -0.09 0.02 0.00 2.52 0.00 0.00 27.41 31.55 1yff h HIS 116 CO 0.04 0.89 -1.61 0.45 0.71 0.00 0.00 177.93 178.41 1yff h HIS 117 N 0.28 0.80 0.00 5.26 -0.00 -1.26 -3.39 115.15 116.85 1yff h HIS 117 Ca -0.01 -0.59 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 1yff h HIS 117 Cb 1.14 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1yff h HIS 117 CO 0.03 1.60 -1.38 1.19 -0.00 0.00 0.00 177.93 179.37 1yff n PHE 118 N -3.63 0.16 0.00 2.45 3.01 -0.85 -5.06 117.46 113.54 1yff n PHE 118 Ca -0.20 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1yff n PHE 118 Cb 1.09 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 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 1.34 3.35 0.30 1.37 0.00 -0.75 -2.67 105.19 108.14 1yff n GLY 119 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 1.61 1.57 -1.97 -1.91 116.57 115.87 1yff h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1yff h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yff h LYS 120 CO 0.00 0.03 -0.13 1.49 -0.57 0.00 0.00 179.45 180.27 1yff h GLU 121 N 0.00 0.00 -3.42 3.15 4.81 -1.91 -3.13 114.58 114.08 1yff h GLU 121 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1yff h GLU 121 Cb 0.12 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.37 1yff h GLU 121 CO 0.00 0.13 2.22 0.34 -0.73 0.00 0.00 179.01 180.98 1yff n PHE 122 N -3.64 2.92 -1.11 0.92 7.35 -0.72 -4.98 117.46 118.19 1yff n PHE 122 Ca -0.02 -2.81 -0.32 0.00 -0.76 0.00 0.00 57.45 53.54 1yff n PHE 122 Cb 0.25 -2.00 0.12 0.00 0.35 0.00 0.00 39.48 38.20 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 0.48 2.46 0.32 -2.13 -4.23 -1.19 -4.75 115.64 106.59 1yff s THR 123 Ca 0.43 0.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 1yff s THR 123 Cb 0.11 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.76 1yff s THR 123 CO -0.02 -0.17 1.80 -0.65 -0.54 0.00 0.00 174.62 175.04 1yff h PRO 124 N -1.09 0.73 0.00 3.99 0.11 -1.94 -1.59 132.00 132.21 1yff h PRO 124 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yff h PRO 124 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1yff h PRO 124 CO 0.47 0.48 0.00 -1.00 -0.21 0.00 0.00 178.00 177.74 1yff h PRO 125 N 0.75 0.00 0.08 1.05 0.13 -2.00 -2.09 132.00 129.93 1yff h PRO 125 Ca 0.55 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.43 1yff h PRO 125 Cb 0.88 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.02 1yff h PRO 125 CO -0.34 0.00 -1.12 0.28 -0.23 0.00 0.00 178.00 176.60 1yff h VAL 126 N 0.00 1.44 -0.36 1.56 2.07 -1.66 -2.99 116.25 116.32 1yff h VAL 126 Ca 0.00 -2.76 -0.06 0.00 0.82 0.00 0.00 66.70 64.70 1yff h VAL 126 Cb 0.59 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1yff h VAL 126 CO 0.00 0.81 -0.00 -0.61 0.02 0.00 0.00 177.57 177.79 1yff h GLN 127 N 0.15 0.63 -0.75 1.57 4.15 -1.20 -1.93 115.11 117.73 1yff h GLN 127 Ca -0.12 -0.20 0.12 0.00 0.77 0.00 0.00 58.65 59.23 1yff h GLN 127 Cb 1.80 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 29.38 1yff h GLN 127 CO 0.19 0.74 0.50 0.00 -1.93 0.00 0.00 178.83 178.33 1yff h ALA 128 N 0.86 1.97 -0.07 3.38 0.00 -1.39 0.17 119.26 124.18 1yff h ALA 128 Ca 0.10 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yff h ALA 128 Cb 0.46 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1yff h ALA 128 CO 0.02 -0.15 -0.39 0.00 0.00 0.00 0.00 179.25 178.72 1yff h ALA 129 N 1.64 0.14 0.00 0.00 0.00 -1.36 -3.09 119.26 116.59 1yff h ALA 129 Ca 0.36 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1yff h ALA 129 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yff h ALA 129 CO -0.13 0.25 -0.21 1.88 0.00 0.00 0.00 179.25 181.05 1yff h TYR 130 N -0.09 0.00 0.00 0.00 0.05 -0.38 -2.40 116.97 114.15 1yff h TYR 130 Ca -0.03 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.61 1yff h TYR 130 Cb 1.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1yff h TYR 130 CO 0.13 0.21 -0.66 1.96 -1.05 0.00 0.00 178.16 178.75 1yff h GLN 131 N 0.00 0.00 -0.04 4.88 1.08 -0.74 -0.65 115.11 119.65 1yff h GLN 131 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 1yff h GLN 131 Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1yff h GLN 131 CO 0.03 0.66 -0.76 0.87 -0.95 0.00 0.00 178.83 178.68 1yff h LYS 132 N 0.00 0.26 0.07 1.46 1.57 -1.36 -2.70 116.57 115.86 1yff h LYS 132 Ca -0.01 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1yff h LYS 132 Cb 1.18 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1yff h LYS 132 CO 0.09 0.90 -0.03 0.28 -0.57 0.00 0.00 179.45 180.11 1yff h VAL 133 N 0.17 1.20 0.00 0.50 2.07 -1.26 -2.70 116.25 116.23 1yff h VAL 133 Ca -0.03 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1yff h VAL 133 Cb 1.33 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1yff h VAL 133 CO 0.12 0.33 -0.12 -0.37 0.02 0.00 0.00 177.57 177.56 1yff h VAL 134 N -0.81 0.50 0.07 2.57 -1.51 -1.20 -1.17 116.25 114.70 1yff h VAL 134 Ca -0.01 -0.57 -0.26 0.00 -1.23 0.00 0.00 66.70 64.63 1yff h VAL 134 Cb 0.62 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 1yff h VAL 134 CO 0.02 0.12 -1.27 0.00 -1.23 0.00 0.00 177.57 175.20 1yff h ALA 135 N 1.88 0.30 -0.25 5.19 0.00 -1.58 -2.75 119.26 122.05 1yff h ALA 135 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 54.91 53.77 1yff h ALA 135 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yff h ALA 135 CO 0.02 1.17 -0.41 0.78 0.00 0.00 0.00 179.25 180.81 1yff h GLY 136 N 2.31 0.66 0.87 0.00 0.00 -0.99 -1.79 103.07 104.13 1yff h GLY 136 Ca -0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 1yff h GLY 136 CO 0.15 0.60 -0.34 -2.08 0.00 0.00 0.00 176.54 174.88 1yff h VAL 137 N 0.50 1.34 -0.32 4.60 2.07 -1.32 -2.55 116.25 120.57 1yff h VAL 137 Ca 0.04 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1yff h VAL 137 Cb 0.93 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1yff h VAL 137 CO 0.08 0.48 0.20 0.00 0.02 0.00 0.00 177.57 178.36 1yff h ALA 138 N 0.58 0.40 0.00 1.67 0.00 -1.44 -0.81 119.26 119.67 1yff h ALA 138 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1yff h ALA 138 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1yff h ALA 138 CO 0.08 -0.12 -0.23 -0.97 0.00 0.00 0.00 179.25 178.00 1yff h ASN 139 N 0.42 0.00 0.68 0.00 -0.73 -1.39 -1.74 115.58 112.83 1yff h ASN 139 Ca 0.12 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 58.02 1yff h ASN 139 Cb -0.03 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.53 1yff h ASN 139 CO -0.02 0.23 -1.38 0.00 -0.37 0.00 0.00 177.43 175.89 1yff h ALA 140 N 1.77 0.46 0.00 1.57 0.00 -1.14 -3.26 119.26 118.66 1yff h ALA 140 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1yff h ALA 140 Cb 0.70 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yff h ALA 140 CO 0.03 1.32 0.00 1.25 0.00 0.00 0.00 179.25 181.85 1yff h LEU 141 N 0.02 0.00 -3.54 0.00 5.85 -0.92 -3.11 115.31 113.62 1yff h LEU 141 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1yff h LEU 141 Cb 1.92 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1yff h LEU 141 CO 0.12 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.22 1yff n ALA 142 N -2.09 3.80 0.19 1.25 0.00 -0.67 -4.43 120.51 118.55 1yff n ALA 142 Ca 0.04 -1.96 0.04 0.00 0.00 0.00 0.00 53.44 51.56 1yff n ALA 142 Cb 0.50 -1.09 0.36 0.00 0.00 0.00 0.00 19.45 19.22 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 3.82 0.00 0.00 0.00 6.17 -1.58 -2.81 115.15 120.75 1yff h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1yff h HIS 143 Cb 1.93 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.86 1yff h HIS 143 CO 1.04 0.39 0.00 1.63 0.71 0.00 0.00 177.93 181.70 1yff n LYS 144 N -3.85 0.79 0.00 5.26 4.76 -1.26 -2.12 118.16 121.74 1yff n LYS 144 Ca -0.01 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.53 1yff n LYS 144 Cb 0.45 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.00 0.00 1.36 2.13 4.01 -1.06 -4.95 117.16 117.66 1yff n TYR 145 Ca 0.19 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.06 1yff n TYR 145 Cb 0.09 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.53 1yff n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12