#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya9 h GLU 5 N 0.00 0.00 -5.90 0.54 4.81 -2.12 -3.44 114.58 108.46 1ya9 h GLU 5 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 1ya9 h GLU 5 Cb 0.00 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.15 1ya9 h GLU 5 CO 0.00 0.00 -0.82 0.14 -0.73 0.00 0.00 179.01 177.60 1ya9 s VAL 6 N -3.20 1.53 -0.45 0.32 -7.23 -1.26 -5.11 120.40 104.99 1ya9 s VAL 6 Ca 0.08 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.61 1ya9 s VAL 6 Cb 0.09 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.67 1ya9 s VAL 6 CO 0.60 -0.04 0.98 0.42 -0.31 0.00 0.00 175.10 176.75 1ya9 s THR 7 N -1.09 4.42 0.03 5.32 -4.23 -1.26 -5.02 115.64 113.81 1ya9 s THR 7 Ca 0.04 0.92 -0.39 0.00 -1.18 0.00 0.00 61.69 61.09 1ya9 s THR 7 Cb -0.10 -4.47 -0.19 0.00 1.34 0.00 0.00 72.50 69.09 1ya9 s THR 7 CO 0.03 -0.85 1.16 0.47 -0.54 0.00 0.00 174.62 174.90 1ya9 n ASP 8 N 7.30 0.56 0.00 3.99 10.43 -1.26 -4.91 116.55 132.67 1ya9 n ASP 8 Ca 0.08 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.58 1ya9 n ASP 8 Cb 0.49 -1.01 0.00 0.00 1.84 0.00 0.00 41.12 42.43 1ya9 n ASP 8 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ya9 n GLN 9 N 1.85 0.56 -1.59 -1.24 3.00 -1.26 -4.92 117.38 113.79 1ya9 n GLN 9 Ca 0.19 -0.14 -0.48 0.00 -0.01 0.00 0.00 57.00 56.56 1ya9 n GLN 9 Cb 0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 30.24 29.77 1ya9 n GLN 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ya9 n LEU 10 N -0.12 1.72 -0.20 1.08 4.77 -1.26 -4.87 117.00 118.12 1ya9 n LEU 10 Ca 0.00 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.11 1ya9 n LEU 10 Cb 0.11 -1.24 0.09 0.00 -2.33 0.00 0.00 43.42 40.04 1ya9 n LEU 10 CO 0.00 -1.22 1.01 -0.08 -1.33 0.00 0.00 177.39 175.78 1ya9 h GLU 11 N 3.37 0.47 0.00 3.23 4.57 -2.03 0.31 114.58 124.49 1ya9 h GLU 11 Ca -0.43 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1ya9 h GLU 11 Cb 1.34 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ya9 h GLU 11 CO 0.70 0.31 0.00 -2.67 -1.18 0.00 0.00 179.01 176.17 1ya9 n TRP 12 N -4.93 0.00 -0.18 0.92 2.14 -1.26 -3.62 117.44 110.51 1ya9 n TRP 12 Ca 0.07 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.69 1ya9 n TRP 12 Cb 0.22 0.00 0.12 0.00 -0.81 0.00 0.00 31.31 30.84 1ya9 n TRP 12 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1ya9 n GLN 13 N -0.98 2.89 0.26 -2.67 6.02 0.11 -4.71 117.38 118.30 1ya9 n GLN 13 Ca 0.17 -1.96 0.10 0.00 -0.01 0.00 0.00 57.00 55.30 1ya9 n GLN 13 Cb 0.08 -1.23 0.69 0.00 1.02 0.00 0.00 30.24 30.79 1ya9 n GLN 13 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ya9 h SER 14 N 1.55 0.00 -0.11 1.08 4.64 -1.62 -1.11 113.55 117.99 1ya9 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ya9 h SER 14 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1ya9 h SER 14 CO 0.01 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 175.60 1ya9 n ASN 15 N -4.08 1.86 -0.05 4.97 6.94 -1.26 -4.51 115.26 119.13 1ya9 n ASN 15 Ca -0.03 -1.67 -0.14 0.00 -0.02 0.00 0.00 54.58 52.72 1ya9 n ASN 15 Cb 0.17 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 1ya9 n ASN 15 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1ya9 h GLN 16 N 2.68 0.48 -0.11 -3.83 4.20 -1.55 -2.52 115.11 114.47 1ya9 h GLN 16 Ca 0.00 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.41 1ya9 h GLN 16 Cb 0.58 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1ya9 h GLN 16 CO 0.00 0.94 -0.05 -1.35 -0.67 0.00 0.00 178.83 177.70 1ya9 h PRO 17 N 0.10 -0.04 -0.75 1.46 0.11 -1.79 0.45 132.00 131.53 1ya9 h PRO 17 Ca -0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1ya9 h PRO 17 Cb 0.94 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1ya9 h PRO 17 CO 0.07 -0.03 0.24 0.11 -0.21 0.00 0.00 178.00 178.19 1ya9 h TRP 18 N -0.04 1.20 -0.34 0.65 5.08 -1.81 -2.44 115.95 118.26 1ya9 h TRP 18 Ca 0.06 -0.12 -0.13 0.00 1.08 0.00 0.00 58.89 59.79 1ya9 h TRP 18 Cb 0.13 -0.35 -0.01 0.00 -3.00 0.00 0.00 29.16 25.93 1ya9 h TRP 18 CO -0.18 0.94 -0.31 0.93 -1.28 0.00 0.00 178.44 178.54 1ya9 h GLU 19 N 1.11 0.73 -0.41 0.12 5.08 -1.23 -0.48 114.58 119.50 1ya9 h GLU 19 Ca 0.24 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1ya9 h GLU 19 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1ya9 h GLU 19 CO -0.01 0.94 -0.07 1.96 -1.00 0.00 0.00 179.01 180.83 1ya9 h GLN 20 N 0.62 0.69 0.02 2.33 4.20 -0.92 -0.49 115.11 121.55 1ya9 h GLN 20 Ca 0.07 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1ya9 h GLN 20 Cb 0.83 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1ya9 h GLN 20 CO 0.07 0.75 -0.01 0.00 -0.67 0.00 0.00 178.83 178.97 1ya9 h ALA 21 N 1.29 -0.02 -0.82 3.87 0.00 -1.05 -1.82 119.26 120.71 1ya9 h ALA 21 Ca 0.12 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1ya9 h ALA 21 Cb 0.50 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 1ya9 h ALA 21 CO 0.03 -0.44 0.40 1.25 0.00 0.00 0.00 179.25 180.48 1ya9 h LEU 22 N -0.16 0.46 -0.55 0.00 5.85 -0.94 -1.97 115.31 118.01 1ya9 h LEU 22 Ca -0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ya9 h LEU 22 Cb 0.15 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ya9 h LEU 22 CO 0.00 0.20 0.25 0.78 -0.34 0.00 0.00 178.44 179.34 1ya9 h ASN 23 N 0.58 0.72 -0.50 1.25 2.35 -0.94 0.04 115.58 119.10 1ya9 h ASN 23 Ca 0.44 -0.14 0.06 0.00 -0.55 0.00 0.00 56.30 56.11 1ya9 h ASN 23 Cb 0.62 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 1ya9 h ASN 23 CO -0.36 0.66 0.20 0.03 -1.65 0.00 0.00 177.43 176.30 1ya9 h ARG 24 N 0.74 0.38 -0.48 0.81 3.08 -0.76 -0.60 114.38 117.55 1ya9 h ARG 24 Ca 0.19 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.30 1ya9 h ARG 24 Cb 0.13 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1ya9 h ARG 24 CO -0.02 0.25 0.09 0.35 -1.07 0.00 0.00 179.97 179.56 1ya9 h PHE 25 N 0.39 0.13 -0.39 3.04 3.57 -1.05 -0.97 116.94 121.67 1ya9 h PHE 25 Ca 0.23 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 1ya9 h PHE 25 Cb 0.22 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1ya9 h PHE 25 CO -0.14 -0.01 -0.05 2.35 -2.23 0.00 0.00 178.31 178.22 1ya9 h TRP 26 N 0.22 0.80 -0.39 0.41 7.01 -0.65 -1.39 115.95 121.96 1ya9 h TRP 26 Ca 0.24 -0.16 0.05 0.00 2.11 0.00 0.00 58.89 61.13 1ya9 h TRP 26 Cb 0.32 -0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 1ya9 h TRP 26 CO -0.23 0.84 0.12 -0.44 -2.79 0.00 0.00 178.44 175.93 1ya9 h ASP 27 N 0.54 0.10 -0.24 2.65 3.32 -0.95 -0.65 116.42 121.18 1ya9 h ASP 27 Ca 0.10 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1ya9 h ASP 27 Cb 0.55 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1ya9 h ASP 27 CO 0.03 0.09 0.06 0.22 -1.72 0.00 0.00 179.24 177.92 1ya9 h TYR 28 N 0.26 0.10 -0.98 4.55 5.03 -0.98 -2.37 116.97 122.59 1ya9 h TYR 28 Ca 0.18 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.57 1ya9 h TYR 28 Cb 0.19 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 1ya9 h TYR 28 CO -0.17 0.04 0.63 1.25 -1.32 0.00 0.00 178.16 178.60 1ya9 h LEU 29 N 0.16 1.02 -1.05 2.82 5.85 -1.04 -1.25 115.31 121.83 1ya9 h LEU 29 Ca 0.11 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1ya9 h LEU 29 Cb 0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1ya9 h LEU 29 CO -0.13 0.66 -0.18 0.03 -0.34 0.00 0.00 178.44 178.49 1ya9 h ARG 30 N 1.16 0.47 0.41 1.25 3.08 -0.62 -0.37 114.38 119.76 1ya9 h ARG 30 Ca 0.41 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1ya9 h ARG 30 Cb 0.13 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ya9 h ARG 30 CO -0.15 0.63 -0.22 2.35 -1.07 0.00 0.00 179.97 181.51 1ya9 h TRP 31 N 0.42 -0.58 -0.83 3.04 7.01 -1.03 -3.22 115.95 120.76 1ya9 h TRP 31 Ca 0.07 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.16 1ya9 h TRP 31 Cb 0.56 0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.75 1ya9 h TRP 31 CO 0.02 -0.35 0.48 0.28 -2.79 0.00 0.00 178.44 176.07 1ya9 h VAL 32 N -0.59 0.91 -0.37 2.65 2.07 -0.96 -2.49 116.25 117.48 1ya9 h VAL 32 Ca -0.05 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.30 1ya9 h VAL 32 Cb 0.47 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ya9 h VAL 32 CO 0.07 0.15 0.35 -0.61 0.02 0.00 0.00 177.57 177.55 1ya9 h GLN 33 N 0.80 0.00 -0.36 1.57 5.75 -1.08 0.11 115.11 121.90 1ya9 h GLN 33 Ca 0.40 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.82 1ya9 h GLN 33 Cb 0.36 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1ya9 h GLN 33 CO -0.24 0.00 -0.10 1.79 -2.65 0.00 0.00 178.83 177.62 1ya9 h THR 34 N 0.00 1.24 -5.01 2.39 1.35 -1.53 -3.47 112.91 107.89 1ya9 h THR 34 Ca 0.17 -1.06 -0.41 0.00 -0.55 0.00 0.00 66.41 64.57 1ya9 h THR 34 Cb 0.87 1.08 0.04 0.00 -1.73 0.00 0.00 68.15 68.41 1ya9 h THR 34 CO -0.00 0.35 -0.62 0.18 -0.25 0.00 0.00 175.52 175.18 1ya9 n LEU 35 N -4.19 -2.59 -4.26 3.87 4.77 0.02 -4.95 117.00 109.66 1ya9 n LEU 35 Ca 0.01 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.32 1ya9 n LEU 35 Cb 0.33 -2.81 0.27 0.00 -2.33 0.00 0.00 43.42 38.87 1ya9 n LEU 35 CO 0.41 0.31 0.30 -1.54 -1.33 0.00 0.00 177.39 175.54 1ya9 n SER 36 N -2.59 -3.33 -0.23 -1.43 3.41 -1.26 -4.63 113.62 103.55 1ya9 n SER 36 Ca -0.07 -0.59 -0.06 0.00 -0.26 0.00 0.00 58.87 57.89 1ya9 n SER 36 Cb 0.59 -1.04 0.09 0.00 -0.26 0.00 0.00 64.21 63.59 1ya9 n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ya9 h ASP 37 N -3.22 1.01 0.09 4.04 3.32 -2.01 -2.14 116.42 117.51 1ya9 h ASP 37 Ca -0.46 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.23 1ya9 h ASP 37 Cb 1.27 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1ya9 h ASP 37 CO 0.31 0.95 -0.62 -0.61 -1.72 0.00 0.00 179.24 177.55 1ya9 h GLN 38 N 1.03 0.52 -0.43 3.56 4.15 -2.01 -2.99 115.11 118.94 1ya9 h GLN 38 Ca 0.22 -0.37 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1ya9 h GLN 38 Cb 0.31 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1ya9 h GLN 38 CO -0.00 0.98 0.24 0.28 -1.93 0.00 0.00 178.83 178.39 1ya9 h VAL 39 N 0.39 1.01 -0.53 2.39 2.07 -1.79 -2.22 116.25 117.58 1ya9 h VAL 39 Ca -0.01 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1ya9 h VAL 39 Cb 1.18 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1ya9 h VAL 39 CO 0.11 0.09 0.26 1.56 0.02 0.00 0.00 177.57 179.61 1ya9 h GLN 40 N 0.47 0.48 -0.11 1.57 4.20 -1.37 -0.83 115.11 119.52 1ya9 h GLN 40 Ca 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1ya9 h GLN 40 Cb 0.04 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1ya9 h GLN 40 CO -0.10 0.32 0.04 0.93 -0.67 0.00 0.00 178.83 179.35 1ya9 h GLU 41 N 0.49 0.17 0.00 1.46 4.39 -1.39 -2.74 114.58 116.97 1ya9 h GLU 41 Ca 0.24 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1ya9 h GLU 41 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ya9 h GLU 41 CO -0.18 0.30 0.00 0.93 -1.16 0.00 0.00 179.01 178.90 1ya9 h GLU 42 N 0.01 0.00 0.03 2.33 5.08 -0.84 -1.04 114.58 120.16 1ya9 h GLU 42 Ca 0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.13 1ya9 h GLU 42 Cb 0.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ya9 h GLU 42 CO -0.00 0.00 -1.09 -0.07 -1.00 0.00 0.00 179.01 176.85 1ya9 h LEU 43 N 0.00 0.86 -1.32 1.33 3.38 -0.89 -3.10 115.31 115.57 1ya9 h LEU 43 Ca 0.00 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 1ya9 h LEU 43 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ya9 h LEU 43 CO 0.00 1.52 0.10 0.06 0.09 0.00 0.00 178.44 180.21 1ya9 h GLN 44 N 0.34 0.55 0.00 1.13 -0.00 -0.95 -3.03 115.11 113.15 1ya9 h GLN 44 Ca -0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1ya9 h GLN 44 Cb 1.75 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 29.13 1ya9 h GLN 44 CO 0.21 0.51 0.00 -1.13 -0.00 0.00 0.00 178.83 178.42 1ya9 n SER 45 N -4.34 0.00 0.00 0.06 3.41 -0.84 -4.90 113.62 107.01 1ya9 n SER 45 Ca 0.02 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1ya9 n SER 45 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ya9 n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ya9 n SER 46 N -0.95 -0.25 0.17 4.04 3.41 -1.15 -4.84 113.62 114.05 1ya9 n SER 46 Ca 0.16 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.82 1ya9 n SER 46 Cb 0.07 -1.69 0.46 0.00 -0.26 0.00 0.00 64.21 62.80 1ya9 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ya9 h GLN 47 N 0.99 0.14 0.03 4.33 4.15 -1.85 -2.65 115.11 120.25 1ya9 h GLN 47 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1ya9 h GLN 47 Cb 0.03 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.71 1ya9 h GLN 47 CO 0.00 0.26 -0.21 0.28 -1.93 0.00 0.00 178.83 177.23 1ya9 h VAL 48 N 0.13 1.70 0.00 2.39 2.07 -1.87 -1.57 116.25 119.10 1ya9 h VAL 48 Ca 0.03 -2.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.17 1ya9 h VAL 48 Cb 0.29 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1ya9 h VAL 48 CO 0.02 0.62 -0.29 0.71 0.02 0.00 0.00 177.57 178.64 1ya9 h THR 49 N -0.79 0.76 -0.08 2.57 1.35 -1.89 0.22 112.91 115.06 1ya9 h THR 49 Ca -0.04 -1.24 -0.12 0.00 -0.55 0.00 0.00 66.41 64.46 1ya9 h THR 49 Cb 1.13 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1ya9 h THR 49 CO 0.04 0.29 -0.42 1.56 -0.25 0.00 0.00 175.52 176.74 1ya9 h GLN 50 N 0.00 0.42 -0.30 4.72 4.20 -1.41 -0.93 115.11 121.81 1ya9 h GLN 50 Ca -0.00 -0.35 -0.15 0.00 0.06 0.00 0.00 58.65 58.20 1ya9 h GLN 50 Cb 0.76 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1ya9 h GLN 50 CO 0.04 0.99 -0.43 0.93 -0.67 0.00 0.00 178.83 179.69 1ya9 h GLU 51 N -0.03 0.76 -0.61 1.46 5.08 -1.15 -1.57 114.58 118.51 1ya9 h GLU 51 Ca -0.03 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1ya9 h GLU 51 Cb 1.07 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1ya9 h GLU 51 CO 0.09 1.04 0.05 1.25 -1.00 0.00 0.00 179.01 180.43 1ya9 h LEU 52 N 0.61 1.00 -0.72 1.33 5.85 -0.58 -1.42 115.31 121.38 1ya9 h LEU 52 Ca 0.04 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1ya9 h LEU 52 Cb 0.99 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1ya9 h LEU 52 CO 0.09 1.03 0.03 0.74 -0.34 0.00 0.00 178.44 179.99 1ya9 h THR 53 N 0.96 1.26 -0.91 1.05 2.02 -0.86 -0.48 112.91 115.95 1ya9 h THR 53 Ca 0.18 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1ya9 h THR 53 Cb 0.49 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1ya9 h THR 53 CO 0.02 0.40 0.60 0.00 0.37 0.00 0.00 175.52 176.91 1ya9 h ALA 54 N 1.09 1.34 -0.10 6.16 0.00 -0.48 -1.71 119.26 125.56 1ya9 h ALA 54 Ca 0.17 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1ya9 h ALA 54 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ya9 h ALA 54 CO 0.02 0.61 -0.78 -0.07 0.00 0.00 0.00 179.25 179.03 1ya9 h LEU 55 N 1.24 0.69 -0.12 0.00 3.38 -0.88 -1.86 115.31 117.76 1ya9 h LEU 55 Ca 0.33 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1ya9 h LEU 55 Cb -0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1ya9 h LEU 55 CO -0.07 1.24 0.01 0.24 0.09 0.00 0.00 178.44 179.94 1ya9 h MET 56 N 0.39 0.21 -0.47 1.13 2.86 -0.96 -2.22 114.93 115.86 1ya9 h MET 56 Ca -0.05 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1ya9 h MET 56 Cb 1.38 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 1ya9 h MET 56 CO 0.15 0.44 0.23 0.93 1.06 0.00 0.00 176.91 179.71 1ya9 h GLU 57 N -0.05 0.43 -0.42 1.72 5.08 -1.21 -1.80 114.58 118.34 1ya9 h GLU 57 Ca 0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ya9 h GLU 57 Cb 0.34 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ya9 h GLU 57 CO 0.00 0.29 0.11 0.22 -1.00 0.00 0.00 179.01 178.63 1ya9 h ASP 58 N 0.45 0.57 0.32 1.42 -0.00 -1.34 -0.38 116.42 117.46 1ya9 h ASP 58 Ca 0.21 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 1ya9 h ASP 58 Cb 0.14 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 1ya9 h ASP 58 CO -0.16 0.57 -0.24 0.74 -0.00 0.00 0.00 179.24 180.15 1ya9 h THR 59 N 0.61 0.49 -0.86 2.25 2.02 -1.05 -1.40 112.91 114.97 1ya9 h THR 59 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1ya9 h THR 59 Cb 0.22 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 1ya9 h THR 59 CO -0.00 0.00 0.51 0.24 0.37 0.00 0.00 175.52 176.64 1ya9 h MET 60 N -0.56 0.83 -0.65 6.66 2.86 -0.92 -0.06 114.93 123.09 1ya9 h MET 60 Ca -0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ya9 h MET 60 Cb 0.49 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1ya9 h MET 60 CO 0.00 0.55 0.35 1.15 1.06 0.00 0.00 176.91 180.02 1ya9 h THR 61 N 0.86 1.21 -0.07 2.22 2.02 -0.81 -2.07 112.91 116.27 1ya9 h THR 61 Ca 0.41 -0.54 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1ya9 h THR 61 Cb 0.35 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1ya9 h THR 61 CO -0.24 0.23 -0.60 -0.33 0.37 0.00 0.00 175.52 174.96 1ya9 h GLU 62 N 0.89 0.24 -0.37 6.66 4.39 -0.74 -1.37 114.58 124.28 1ya9 h GLU 62 Ca 0.23 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1ya9 h GLU 62 Cb 0.06 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1ya9 h GLU 62 CO -0.04 0.76 0.19 0.28 -1.16 0.00 0.00 179.01 179.04 1ya9 h VAL 63 N 0.18 1.16 -0.32 3.13 2.07 -0.88 -1.10 116.25 120.48 1ya9 h VAL 63 Ca -0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1ya9 h VAL 63 Cb 1.10 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1ya9 h VAL 63 CO 0.09 0.17 0.16 0.11 0.02 0.00 0.00 177.57 178.12 1ya9 h LYS 64 N 0.46 0.46 -0.91 1.57 1.57 -1.37 -1.08 116.57 117.28 1ya9 h LYS 64 Ca 0.13 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1ya9 h LYS 64 Cb 0.10 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1ya9 h LYS 64 CO -0.02 0.42 0.60 0.00 -0.57 0.00 0.00 179.45 179.88 1ya9 h ALA 65 N 1.02 1.37 -0.32 3.86 0.00 -1.14 -2.35 119.26 121.70 1ya9 h ALA 65 Ca 0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ya9 h ALA 65 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ya9 h ALA 65 CO -0.01 0.58 -0.25 -0.92 0.00 0.00 0.00 179.25 178.64 1ya9 h TYR 66 N 1.21 0.86 -0.67 0.00 3.20 -0.84 -1.35 116.97 119.39 1ya9 h TYR 66 Ca 0.34 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ya9 h TYR 66 Cb -0.12 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1ya9 h TYR 66 CO -0.00 0.99 0.43 -0.22 -1.64 0.00 0.00 178.16 177.71 1ya9 h LYS 67 N 0.49 0.89 -0.26 1.82 3.11 -1.15 0.23 116.57 121.71 1ya9 h LYS 67 Ca 0.06 -0.07 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 1ya9 h LYS 67 Cb 0.81 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 1ya9 h LYS 67 CO 0.07 0.61 -0.32 0.87 -2.81 0.00 0.00 179.45 177.87 1ya9 h LYS 68 N 0.91 0.54 -0.07 1.90 1.57 -1.42 -1.66 116.57 118.35 1ya9 h LYS 68 Ca 0.24 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ya9 h LYS 68 Cb -0.07 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1ya9 h LYS 68 CO -0.05 0.79 0.01 1.49 -0.57 0.00 0.00 179.45 181.12 1ya9 h GLU 69 N 0.46 0.11 -0.96 3.15 4.81 -0.68 -1.23 114.58 120.24 1ya9 h GLU 69 Ca 0.06 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1ya9 h GLU 69 Cb 0.78 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 1ya9 h GLU 69 CO 0.06 0.33 0.62 -0.07 -0.73 0.00 0.00 179.01 179.22 1ya9 h LEU 70 N -0.13 0.92 -0.51 1.64 3.38 -0.84 -1.81 115.31 117.97 1ya9 h LEU 70 Ca 0.02 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1ya9 h LEU 70 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ya9 h LEU 70 CO 0.00 0.55 -0.39 1.05 0.09 0.00 0.00 178.44 179.74 1ya9 h GLU 71 N 1.02 0.79 0.00 1.13 4.11 -1.10 -2.63 114.58 117.90 1ya9 h GLU 71 Ca 0.44 -0.41 -0.05 0.00 0.07 0.00 0.00 59.36 59.41 1ya9 h GLU 71 Cb 0.34 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ya9 h GLU 71 CO -0.20 1.04 -0.25 0.93 0.07 0.00 0.00 179.01 180.61 1ya9 h GLU 72 N 0.65 0.00 -0.62 1.06 5.08 -0.89 -2.81 114.58 117.05 1ya9 h GLU 72 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ya9 h GLU 72 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ya9 h GLU 72 CO 0.09 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.39 1ya9 n GLN 73 N -3.76 4.15 -2.70 2.33 6.02 -0.71 -4.96 117.38 117.76 1ya9 n GLN 73 Ca -0.01 -3.00 -0.22 0.00 -0.01 0.00 0.00 57.00 53.76 1ya9 n GLN 73 Cb 0.35 -2.03 0.03 0.00 1.02 0.00 0.00 30.24 29.61 1ya9 n GLN 73 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1ya9 s LEU 74 N -2.19 3.34 0.00 1.08 2.96 -1.02 -4.85 118.68 118.01 1ya9 s LEU 74 Ca 0.53 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1ya9 s LEU 74 Cb 0.36 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 44.06 1ya9 s LEU 74 CO 0.22 -1.05 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 1ya9 n GLY 75 N -2.32 -2.11 3.75 7.98 0.00 -1.26 -4.85 105.19 106.38 1ya9 n GLY 75 Ca 0.06 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1ya9 n GLY 75 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ya9 s PRO 76 N -2.79 4.35 -0.03 1.61 0.02 -1.26 -3.58 135.00 133.31 1ya9 s PRO 76 Ca 0.00 2.18 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 1ya9 s PRO 76 Cb 0.00 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.45 1ya9 s PRO 76 CO 0.00 -0.28 0.57 0.54 -0.33 0.00 0.00 177.00 177.50 1ya9 s VAL 77 N -0.34 0.02 0.23 3.83 0.11 -1.26 -4.28 120.40 118.70 1ya9 s VAL 77 Ca 0.55 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 1ya9 s VAL 77 Cb -0.39 -0.90 -0.10 0.00 -1.53 0.00 0.00 36.38 33.46 1ya9 s VAL 77 CO 0.44 -0.08 1.42 0.00 -3.33 0.00 0.00 175.10 173.56 1ya9 s ALA 78 N -1.38 3.62 0.23 1.54 0.00 -1.26 -4.91 121.76 119.59 1ya9 s ALA 78 Ca -0.11 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 1ya9 s ALA 78 Cb -0.01 -3.55 0.39 0.00 0.00 0.00 0.00 23.12 19.95 1ya9 s ALA 78 CO 0.07 -0.70 1.69 1.49 0.00 0.00 0.00 175.76 178.30 1ya9 h GLU 79 N 5.23 0.23 -0.73 0.00 4.81 -2.00 -0.42 114.58 121.70 1ya9 h GLU 79 Ca -0.45 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1ya9 h GLU 79 Cb 1.22 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1ya9 h GLU 79 CO 0.79 0.15 0.28 0.93 -0.73 0.00 0.00 179.01 180.43 1ya9 h GLU 80 N 0.24 0.41 0.01 1.92 4.39 -1.99 -0.91 114.58 118.65 1ya9 h GLU 80 Ca 0.37 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.86 1ya9 h GLU 80 Cb 0.61 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1ya9 h GLU 80 CO -0.49 0.27 -0.89 0.00 -1.16 0.00 0.00 179.01 176.74 1ya9 h THR 81 N 0.42 1.57 -0.35 1.13 1.03 -1.48 -2.66 112.91 112.57 1ya9 h THR 81 Ca 0.40 -2.86 -0.10 0.00 -0.01 0.00 0.00 66.41 63.84 1ya9 h THR 81 Cb 0.60 2.58 -0.01 0.00 -1.07 0.00 0.00 68.15 70.25 1ya9 h THR 81 CO -0.40 0.82 -0.15 -0.09 -0.01 0.00 0.00 175.52 175.69 1ya9 h ARG 82 N 0.04 0.73 -0.26 0.00 2.43 -1.05 -1.49 114.38 114.77 1ya9 h ARG 82 Ca -0.03 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1ya9 h ARG 82 Cb 1.55 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.02 1ya9 h ARG 82 CO 0.13 0.92 -0.13 0.00 -1.51 0.00 0.00 179.97 179.37 1ya9 h ALA 83 N 0.79 0.08 -0.15 2.80 0.00 -1.23 -0.60 119.26 120.95 1ya9 h ALA 83 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ya9 h ALA 83 Cb 0.69 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ya9 h ALA 83 CO 0.05 -0.54 -0.02 -0.09 0.00 0.00 0.00 179.25 178.65 1ya9 h ARG 84 N -0.10 0.27 -0.62 0.00 2.43 -1.46 -1.50 114.38 113.39 1ya9 h ARG 84 Ca 0.14 -0.09 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1ya9 h ARG 84 Cb 0.31 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1ya9 h ARG 84 CO -0.33 0.53 0.41 -0.07 -1.51 0.00 0.00 179.97 179.00 1ya9 h LEU 85 N -0.02 0.43 -0.22 3.80 3.38 -1.29 -2.06 115.31 119.32 1ya9 h LEU 85 Ca 0.04 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1ya9 h LEU 85 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ya9 h LEU 85 CO 0.01 0.26 -0.39 1.23 0.09 0.00 0.00 178.44 179.65 1ya9 h GLY 86 N 0.48 0.72 0.24 0.83 0.00 -0.98 -2.17 103.07 102.19 1ya9 h GLY 86 Ca 0.28 -0.83 0.07 0.00 0.00 0.00 0.00 47.33 46.86 1ya9 h GLY 86 CO -0.08 0.74 -0.12 0.50 0.00 0.00 0.00 176.54 177.58 1ya9 h LYS 87 N 0.36 -0.05 -0.07 4.80 1.79 -0.89 -0.94 116.57 121.58 1ya9 h LYS 87 Ca 0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1ya9 h LYS 87 Cb 0.98 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1ya9 h LYS 87 CO 0.09 -0.03 -0.27 0.93 -1.08 0.00 0.00 179.45 179.08 1ya9 h GLU 88 N -0.05 0.30 -0.57 3.15 5.08 -1.36 -1.09 114.58 120.04 1ya9 h GLU 88 Ca 0.17 -0.24 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1ya9 h GLU 88 Cb 0.31 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 1ya9 h GLU 88 CO -0.38 0.87 0.09 0.28 -1.00 0.00 0.00 179.01 178.87 1ya9 h VAL 89 N -0.21 0.63 -0.45 3.13 2.07 -1.11 -1.00 116.25 119.31 1ya9 h VAL 89 Ca -0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1ya9 h VAL 89 Cb 0.92 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ya9 h VAL 89 CO 0.06 0.04 0.18 -0.61 0.02 0.00 0.00 177.57 177.25 1ya9 h GLN 90 N 0.21 0.67 -0.70 1.57 5.75 -0.86 0.16 115.11 121.91 1ya9 h GLN 90 Ca 0.30 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1ya9 h GLN 90 Cb 0.44 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1ya9 h GLN 90 CO -0.41 0.62 0.35 0.00 -2.65 0.00 0.00 178.83 176.73 1ya9 h ALA 91 N 1.02 0.90 -0.26 3.38 0.00 -1.03 -1.11 119.26 122.16 1ya9 h ALA 91 Ca 0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1ya9 h ALA 91 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ya9 h ALA 91 CO -0.01 0.46 -0.48 0.00 0.00 0.00 0.00 179.25 179.21 1ya9 h ALA 92 N 1.17 0.66 -0.95 0.00 0.00 -0.50 -1.76 119.26 117.88 1ya9 h ALA 92 Ca 0.24 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ya9 h ALA 92 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1ya9 h ALA 92 CO -0.03 0.68 0.59 0.37 0.00 0.00 0.00 179.25 180.85 1ya9 h GLN 93 N 0.55 1.28 -0.37 0.00 4.15 -0.38 -2.14 115.11 118.20 1ya9 h GLN 93 Ca 0.03 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1ya9 h GLN 93 Cb 1.04 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1ya9 h GLN 93 CO 0.10 0.88 -0.26 0.00 -1.93 0.00 0.00 178.83 177.62 1ya9 h ALA 94 N 1.35 0.53 -0.84 3.38 0.00 -0.99 0.30 119.26 122.99 1ya9 h ALA 94 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ya9 h ALA 94 Cb -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1ya9 h ALA 94 CO -0.07 0.53 0.40 0.00 0.00 0.00 0.00 179.25 180.12 1ya9 h ARG 95 N 0.63 1.20 -0.55 0.00 3.08 -1.02 -0.41 114.38 117.31 1ya9 h ARG 95 Ca 0.07 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1ya9 h ARG 95 Cb 0.83 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1ya9 h ARG 95 CO 0.07 0.92 0.21 1.25 -1.07 0.00 0.00 179.97 181.36 1ya9 h LEU 96 N 1.19 0.77 -0.65 3.04 5.85 -0.79 -1.70 115.31 123.03 1ya9 h LEU 96 Ca 0.29 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1ya9 h LEU 96 Cb 0.12 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ya9 h LEU 96 CO -0.04 0.74 0.08 1.23 -0.34 0.00 0.00 178.44 180.12 1ya9 h GLY 97 N 0.76 1.17 0.87 3.75 0.00 -0.61 -1.85 103.07 107.16 1ya9 h GLY 97 Ca 0.18 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.76 1ya9 h GLY 97 CO -0.01 0.74 0.63 0.00 0.00 0.00 0.00 176.54 177.89 1ya9 h ALA 98 N 1.03 1.28 -0.25 3.60 0.00 -0.74 -0.43 119.26 123.76 1ya9 h ALA 98 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ya9 h ALA 98 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ya9 h ALA 98 CO 0.02 0.50 -0.09 -0.44 0.00 0.00 0.00 179.25 179.24 1ya9 h ASP 99 N 1.21 0.52 -0.78 0.00 3.32 -0.90 -1.55 116.42 118.24 1ya9 h ASP 99 Ca 0.39 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1ya9 h ASP 99 Cb 0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1ya9 h ASP 99 CO -0.13 0.79 0.49 0.24 -1.72 0.00 0.00 179.24 178.91 1ya9 h MET 100 N 0.24 0.91 -0.78 3.56 2.86 -1.13 -1.65 114.93 118.94 1ya9 h MET 100 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ya9 h MET 100 Cb 0.58 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1ya9 h MET 100 CO 0.03 0.60 0.49 0.93 1.06 0.00 0.00 176.91 180.02 1ya9 h GLU 101 N 0.93 1.04 -0.15 1.72 5.08 -1.04 -0.72 114.58 121.45 1ya9 h GLU 101 Ca 0.32 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ya9 h GLU 101 Cb 0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1ya9 h GLU 101 CO -0.13 0.72 0.09 -0.44 -1.00 0.00 0.00 179.01 178.24 1ya9 h ASP 102 N 1.06 0.19 0.04 1.42 5.19 -1.07 0.77 116.42 124.02 1ya9 h ASP 102 Ca 0.28 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1ya9 h ASP 102 Cb -0.07 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1ya9 h ASP 102 CO -0.06 0.21 -0.35 -0.07 -3.12 0.00 0.00 179.24 175.86 1ya9 h LEU 103 N 0.16 -1.06 -0.93 1.55 3.38 -1.04 -0.36 115.31 117.01 1ya9 h LEU 103 Ca 0.05 0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1ya9 h LEU 103 Cb 0.06 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 1ya9 h LEU 103 CO -0.01 -0.35 0.50 -0.09 0.09 0.00 0.00 178.44 178.57 1ya9 h ARG 104 N -0.47 0.59 -0.25 1.13 1.12 -1.13 -2.10 114.38 113.26 1ya9 h ARG 104 Ca 0.00 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.66 1ya9 h ARG 104 Cb 0.48 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1ya9 h ARG 104 CO -0.21 0.39 -0.53 -0.91 -3.11 0.00 0.00 179.97 175.60 1ya9 h ASN 105 N 0.61 0.90 -0.81 -3.80 2.35 -0.71 -1.62 115.58 112.50 1ya9 h ASN 105 Ca 0.54 -0.55 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1ya9 h ASN 105 Cb 0.90 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 1ya9 h ASN 105 CO -0.42 1.29 0.53 -0.09 -1.65 0.00 0.00 177.43 177.08 1ya9 h ARG 106 N 0.56 0.94 -0.06 0.81 9.65 -0.75 0.98 114.38 126.51 1ya9 h ARG 106 Ca 0.00 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1ya9 h ARG 106 Cb 1.15 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1ya9 h ARG 106 CO 0.12 0.62 -0.46 -0.07 2.80 0.00 0.00 179.97 182.99 1ya9 h LEU 107 N 0.97 0.15 -0.49 3.80 3.38 -1.30 -0.69 115.31 121.14 1ya9 h LEU 107 Ca 0.33 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1ya9 h LEU 107 Cb 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ya9 h LEU 107 CO -0.10 0.59 -0.49 1.23 0.09 0.00 0.00 178.44 179.76 1ya9 h GLY 108 N 1.33 0.74 1.33 0.83 0.00 -0.43 -2.26 103.07 104.61 1ya9 h GLY 108 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 1ya9 h GLY 108 CO 0.07 0.74 0.12 -1.61 0.00 0.00 0.00 176.54 175.85 1ya9 h GLN 109 N 0.54 0.84 -0.16 4.80 4.15 -0.65 0.24 115.11 124.86 1ya9 h GLN 109 Ca 0.03 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 1ya9 h GLN 109 Cb 1.04 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 1ya9 h GLN 109 CO 0.10 0.76 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.66 1ya9 h TYR 110 N 0.80 0.50 -0.52 3.99 3.20 -1.10 -0.39 116.97 123.45 1ya9 h TYR 110 Ca 0.17 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1ya9 h TYR 110 Cb 0.32 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1ya9 h TYR 110 CO 0.02 0.81 0.31 -0.09 -1.64 0.00 0.00 178.16 177.57 1ya9 h ARG 111 N 0.05 0.61 -0.63 1.82 2.43 -1.10 -1.60 114.38 115.96 1ya9 h ARG 111 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ya9 h ARG 111 Cb 0.73 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1ya9 h ARG 111 CO 0.05 0.40 0.28 -0.91 -1.51 0.00 0.00 179.97 178.27 1ya9 h ASN 112 N 0.62 0.84 -1.00 -3.80 -0.26 -0.36 -1.59 115.58 110.03 1ya9 h ASN 112 Ca 0.21 -0.15 0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1ya9 h ASN 112 Cb 0.02 -0.22 -0.06 0.00 -1.06 0.00 0.00 38.32 37.00 1ya9 h ASN 112 CO -0.09 0.76 0.65 -0.33 -1.06 0.00 0.00 177.43 177.36 1ya9 h GLU 113 N 0.87 1.22 -0.62 0.81 5.08 -0.83 -1.24 114.58 119.87 1ya9 h GLU 113 Ca 0.21 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1ya9 h GLU 113 Cb 0.16 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1ya9 h GLU 113 CO -0.02 0.80 0.05 0.28 -1.00 0.00 0.00 179.01 179.12 1ya9 h VAL 114 N 1.25 1.26 -0.56 3.13 2.07 -1.00 -2.84 116.25 119.57 1ya9 h VAL 114 Ca 0.40 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.87 1ya9 h VAL 114 Cb 0.02 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1ya9 h VAL 114 CO -0.13 0.40 0.32 0.45 0.02 0.00 0.00 177.57 178.63 1ya9 h HIS 115 N 0.97 0.60 -0.17 1.57 3.86 -0.92 -0.58 115.15 120.47 1ya9 h HIS 115 Ca 0.18 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1ya9 h HIS 115 Cb 0.50 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1ya9 h HIS 115 CO 0.04 0.32 0.29 1.79 0.86 0.00 0.00 177.93 181.23 1ya9 h THR 116 N 0.62 0.25 -0.46 2.45 1.35 -1.09 0.10 112.91 116.13 1ya9 h THR 116 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1ya9 h THR 116 Cb 0.08 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1ya9 h THR 116 CO -0.13 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.37 1ya9 n MET 117 N -3.41 3.23 -3.00 4.72 2.81 -0.49 -4.96 117.12 116.01 1ya9 n MET 117 Ca 0.02 -2.60 -0.19 0.00 -1.81 0.00 0.00 57.70 53.12 1ya9 n MET 117 Cb 0.40 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 31.28 1ya9 n MET 117 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ya9 n LEU 118 N 0.56 -2.64 0.00 4.03 4.77 0.02 -2.00 117.00 121.74 1ya9 n LEU 118 Ca 0.20 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ya9 n LEU 118 Cb 0.73 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 1ya9 n LEU 118 CO 0.16 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ya9 n GLY 119 N -1.47 0.84 3.84 -0.72 0.00 -0.36 -5.01 105.19 102.31 1ya9 n GLY 119 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1ya9 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ya9 s GLN 120 N -0.81 3.90 0.19 1.61 1.11 -0.85 -5.01 119.66 119.81 1ya9 s GLN 120 Ca 0.00 0.39 0.10 0.00 0.01 0.00 0.00 55.36 55.86 1ya9 s GLN 120 Cb 0.00 -3.21 -0.04 0.00 -1.01 0.00 0.00 33.01 28.75 1ya9 s GLN 120 CO 0.00 0.69 -0.13 -1.54 0.01 0.00 0.00 175.29 174.32 1ya9 s SER 121 N -1.11 4.03 0.37 5.90 1.04 -1.26 -4.60 113.70 118.07 1ya9 s SER 121 Ca 0.24 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1ya9 s SER 121 Cb -0.16 -0.59 -0.07 0.00 0.10 0.00 0.00 66.02 65.29 1ya9 s SER 121 CO 0.13 0.10 0.03 0.42 0.98 0.00 0.00 173.24 174.90 1ya9 s THR 122 N -1.75 1.63 0.25 2.02 -4.23 -1.26 -5.04 115.64 107.27 1ya9 s THR 122 Ca 0.24 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1ya9 s THR 122 Cb -0.08 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1ya9 s THR 122 CO 0.14 -0.02 1.65 -0.33 -0.54 0.00 0.00 174.62 175.52 1ya9 h GLU 123 N 1.95 0.49 0.20 3.99 5.08 -2.01 -2.30 114.58 121.98 1ya9 h GLU 123 Ca -0.42 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 1ya9 h GLU 123 Cb 1.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ya9 h GLU 123 CO 0.75 0.78 -0.10 1.49 -1.00 0.00 0.00 179.01 180.93 1ya9 h GLU 124 N 0.41 -0.26 0.00 2.33 4.81 -1.99 -0.83 114.58 119.05 1ya9 h GLU 124 Ca 0.04 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1ya9 h GLU 124 Cb 0.82 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1ya9 h GLU 124 CO 0.07 -0.08 -0.71 -0.84 -0.73 0.00 0.00 179.01 176.71 1ya9 h ILE 125 N -0.39 1.46 -0.58 2.32 3.07 -1.94 -2.31 117.51 119.13 1ya9 h ILE 125 Ca -0.03 -2.49 -0.04 0.00 1.55 0.00 0.00 64.86 63.86 1ya9 h ILE 125 Cb 0.30 2.36 -0.03 0.00 -0.27 0.00 0.00 36.82 39.19 1ya9 h ILE 125 CO 0.05 0.70 0.21 0.03 -1.05 0.00 0.00 178.15 178.08 1ya9 h ARG 126 N 0.00 0.89 -0.47 0.16 3.08 -1.43 -1.59 114.38 115.01 1ya9 h ARG 126 Ca -0.01 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1ya9 h ARG 126 Cb 1.30 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1ya9 h ARG 126 CO 0.09 0.78 -0.03 0.00 -1.07 0.00 0.00 179.97 179.74 1ya9 h ALA 127 N 1.07 0.64 -0.56 0.04 0.00 -1.03 0.29 119.26 119.70 1ya9 h ALA 127 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ya9 h ALA 127 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ya9 h ALA 127 CO -0.01 0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1ya9 h ARG 128 N 0.71 0.81 0.22 0.00 3.08 -1.38 -1.61 114.38 116.21 1ya9 h ARG 128 Ca 0.13 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ya9 h ARG 128 Cb 0.56 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1ya9 h ARG 128 CO 0.03 0.68 -0.22 1.25 -1.07 0.00 0.00 179.97 180.64 1ya9 h LEU 129 N 0.75 -0.57 -0.58 3.04 5.85 -1.00 -0.34 115.31 122.46 1ya9 h LEU 129 Ca 0.19 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1ya9 h LEU 129 Cb 0.14 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1ya9 h LEU 129 CO -0.02 -0.32 -0.09 -1.28 -0.34 0.00 0.00 178.44 176.39 1ya9 h SER 130 N -0.46 -0.43 -0.50 1.25 0.87 -0.30 -0.10 113.55 113.88 1ya9 h SER 130 Ca -0.00 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1ya9 h SER 130 Cb 0.43 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1ya9 h SER 130 CO -0.05 -0.16 0.09 0.74 -0.53 0.00 0.00 176.83 176.93 1ya9 h THR 131 N 0.04 1.25 -0.40 2.23 2.02 -1.13 -2.23 112.91 114.68 1ya9 h THR 131 Ca 0.29 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.42 1ya9 h THR 131 Cb 0.45 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1ya9 h THR 131 CO -0.56 0.32 -0.32 -0.74 0.37 0.00 0.00 175.52 174.60 1ya9 h HIS 132 N 0.70 1.10 -0.74 3.16 6.17 0.07 -2.56 115.15 123.05 1ya9 h HIS 132 Ca 0.15 -0.31 0.05 0.00 0.71 0.00 0.00 60.37 60.97 1ya9 h HIS 132 Cb 0.38 -0.24 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 1ya9 h HIS 132 CO 0.03 1.13 0.49 -0.07 0.71 0.00 0.00 177.93 180.22 1ya9 h LEU 133 N 0.76 0.73 -0.30 0.26 3.38 -0.87 -2.07 115.31 117.20 1ya9 h LEU 133 Ca 0.07 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1ya9 h LEU 133 Cb 0.91 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ya9 h LEU 133 CO 0.08 0.49 -0.33 -0.09 0.09 0.00 0.00 178.44 178.68 1ya9 h ARG 134 N 0.84 0.76 -0.58 1.13 2.43 -1.07 0.68 114.38 118.56 1ya9 h ARG 134 Ca 0.31 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1ya9 h ARG 134 Cb 0.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ya9 h ARG 134 CO -0.10 1.04 0.06 -0.22 -1.51 0.00 0.00 179.97 179.24 1ya9 h LYS 135 N 0.52 0.96 -0.08 0.20 3.64 -1.19 -2.12 116.57 118.50 1ya9 h LYS 135 Ca 0.04 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.02 1ya9 h LYS 135 Cb 0.91 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1ya9 h LYS 135 CO 0.08 0.91 -0.62 0.52 -2.27 0.00 0.00 179.45 178.07 1ya9 h MET 136 N 0.90 0.30 -0.69 1.90 2.86 -1.16 -1.05 114.93 117.99 1ya9 h MET 136 Ca 0.18 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1ya9 h MET 136 Cb 0.44 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1ya9 h MET 136 CO 0.02 0.82 0.31 0.00 1.06 0.00 0.00 176.91 179.12 1ya9 h ARG 137 N 0.22 1.01 -0.37 1.72 3.08 -0.64 0.18 114.38 119.58 1ya9 h ARG 137 Ca -0.01 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1ya9 h ARG 137 Cb 1.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1ya9 h ARG 137 CO 0.10 0.81 -0.12 0.87 -1.07 0.00 0.00 179.97 180.57 1ya9 h LYS 138 N 0.97 0.73 -0.85 0.04 1.57 -1.16 -1.59 116.57 116.28 1ya9 h LYS 138 Ca 0.23 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1ya9 h LYS 138 Cb 0.16 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1ya9 h LYS 138 CO -0.03 0.89 0.54 -0.09 -0.57 0.00 0.00 179.45 180.20 1ya9 h ARG 139 N 0.52 0.99 -0.67 3.15 2.43 -1.05 -2.29 114.38 117.47 1ya9 h ARG 139 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1ya9 h ARG 139 Cb 0.64 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1ya9 h ARG 139 CO 0.04 0.66 0.22 1.25 -1.51 0.00 0.00 179.97 180.63 1ya9 h LEU 140 N 1.02 0.95 -0.57 3.80 5.85 -0.63 -1.86 115.31 123.86 1ya9 h LEU 140 Ca 0.35 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1ya9 h LEU 140 Cb 0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1ya9 h LEU 140 CO -0.14 0.88 0.33 0.24 -0.34 0.00 0.00 178.44 179.41 1ya9 h MET 141 N 0.99 0.78 -0.67 1.25 2.86 -0.91 -0.31 114.93 118.92 1ya9 h MET 141 Ca 0.22 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1ya9 h MET 141 Cb 0.26 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1ya9 h MET 141 CO -0.01 0.58 0.32 -0.09 1.06 0.00 0.00 176.91 178.77 1ya9 h ARG 142 N 0.77 0.96 0.00 1.72 2.43 -1.09 -1.82 114.38 117.35 1ya9 h ARG 142 Ca 0.20 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 1ya9 h ARG 142 Cb 0.01 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1ya9 h ARG 142 CO -0.04 0.76 -0.83 -0.44 -1.51 0.00 0.00 179.97 177.92 1ya9 h ASP 143 N 0.93 0.00 -0.22 -3.80 3.32 -1.07 -0.62 116.42 114.96 1ya9 h ASP 143 Ca 0.23 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 1ya9 h ASP 143 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ya9 h ASP 143 CO -0.03 0.83 -0.55 0.00 -1.72 0.00 0.00 179.24 177.77 1ya9 h ALA 144 N 1.17 0.51 -0.70 3.45 0.00 -0.94 -0.39 119.26 122.36 1ya9 h ALA 144 Ca -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1ya9 h ALA 144 Cb 1.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1ya9 h ALA 144 CO 0.11 0.68 0.25 0.93 0.00 0.00 0.00 179.25 181.22 1ya9 h GLU 145 N 0.62 1.06 -0.52 0.00 5.08 -0.97 -0.76 114.58 119.10 1ya9 h GLU 145 Ca 0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ya9 h GLU 145 Cb 1.15 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ya9 h GLU 145 CO 0.12 0.90 0.31 -0.44 -1.00 0.00 0.00 179.01 178.90 1ya9 h ASP 146 N 1.01 0.63 -0.43 1.42 5.19 -1.00 -1.58 116.42 121.65 1ya9 h ASP 146 Ca 0.23 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1ya9 h ASP 146 Cb 0.25 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1ya9 h ASP 146 CO -0.01 0.50 0.26 0.25 -3.12 0.00 0.00 179.24 177.11 1ya9 h LEU 147 N 0.70 0.42 -1.03 1.55 5.85 -0.93 -1.63 115.31 120.24 1ya9 h LEU 147 Ca 0.19 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1ya9 h LEU 147 Cb -0.01 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 1ya9 h LEU 147 CO -0.03 0.30 0.64 -0.61 -0.34 0.00 0.00 178.44 178.39 1ya9 h GLN 148 N 0.52 1.02 -0.28 1.25 4.15 -1.02 -1.54 115.11 119.22 1ya9 h GLN 148 Ca 0.17 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1ya9 h GLN 148 Cb 0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1ya9 h GLN 148 CO -0.08 0.68 -0.08 -0.22 -1.93 0.00 0.00 178.83 177.20 1ya9 h LYS 149 N 1.05 0.55 -0.85 1.69 3.64 -0.88 -2.02 116.57 119.76 1ya9 h LYS 149 Ca 0.47 -0.22 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1ya9 h LYS 149 Cb 0.37 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1ya9 h LYS 149 CO -0.22 0.77 0.49 0.00 -2.27 0.00 0.00 179.45 178.21 1ya9 h ARG 150 N 0.31 0.78 -0.42 1.90 2.47 -1.04 -1.03 114.38 117.35 1ya9 h ARG 150 Ca 0.07 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.64 1ya9 h ARG 150 Cb 0.57 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1ya9 h ARG 150 CO 0.03 0.52 -0.14 -0.07 0.56 0.00 0.00 179.97 180.86 1ya9 h LEU 151 N 0.80 0.85 -0.53 3.04 3.38 -1.26 -2.57 115.31 119.04 1ya9 h LEU 151 Ca 0.42 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ya9 h LEU 151 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1ya9 h LEU 151 CO -0.26 1.04 0.35 0.00 0.09 0.00 0.00 178.44 179.66 1ya9 h ALA 152 N 0.84 0.67 -0.40 1.53 0.00 -0.94 0.38 119.26 121.34 1ya9 h ALA 152 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ya9 h ALA 152 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ya9 h ALA 152 CO 0.05 0.11 0.24 0.28 0.00 0.00 0.00 179.25 179.93 1ya9 h VAL 153 N 0.71 1.13 -0.89 0.00 2.07 -1.17 -2.40 116.25 115.71 1ya9 h VAL 153 Ca 0.19 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ya9 h VAL 153 Cb -0.08 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1ya9 h VAL 153 CO -0.04 0.13 0.52 0.22 0.02 0.00 0.00 177.57 178.42 1ya9 h TYR 154 N 0.52 1.18 -2.22 1.57 5.03 -0.97 -3.37 116.97 118.71 1ya9 h TYR 154 Ca 0.14 -0.01 -0.58 0.00 2.58 0.00 0.00 58.73 60.86 1ya9 h TYR 154 Cb 0.01 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 37.90 1ya9 h TYR 154 CO -0.03 0.80 1.40 0.21 -1.32 0.00 0.00 178.16 179.22 1ya9 s LYS 155 N -5.87 3.29 0.00 1.82 2.20 0.06 -4.54 119.74 116.71 1ya9 s LYS 155 Ca -0.12 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1ya9 s LYS 155 Cb 0.17 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 1ya9 s LYS 155 CO 0.82 -1.91 0.00 0.00 -0.36 0.00 0.00 175.35 173.90 1ya9 n ALA 156 N 10.86 0.00 0.00 3.13 0.00 -1.26 -4.93 120.51 128.31 1ya9 n ALA 156 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ya9 n ALA 156 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1ya9 n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya9 n GLY 157 N 0.00 0.62 0.00 0.00 0.00 -1.26 -4.45 105.19 100.10 1ya9 n GLY 157 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ya9 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya9 n ALA 158 N 1.09 0.00 0.00 4.61 0.00 -1.23 -4.48 120.51 120.50 1ya9 n ALA 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ya9 n ALA 158 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ya9 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya9 n GLY 165 N 5.00 0.22 0.30 0.00 0.00 -1.26 -5.01 105.19 104.44 1ya9 n GLY 165 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1ya9 n GLY 165 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ya9 h VAL 166 N 0.00 1.27 -0.70 1.61 3.04 -2.05 -2.69 116.25 116.72 1ya9 h VAL 166 Ca 0.00 -1.22 0.14 0.00 -1.01 0.00 0.00 66.70 64.61 1ya9 h VAL 166 Cb 0.00 0.88 -0.13 0.00 -2.01 0.00 0.00 31.29 30.03 1ya9 h VAL 166 CO 0.00 0.44 -0.16 -1.28 -1.01 0.00 0.00 177.57 175.56 1ya9 h SER 167 N 0.96 -0.62 -0.47 3.17 0.87 -2.05 0.65 113.55 116.05 1ya9 h SER 167 Ca 0.16 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1ya9 h SER 167 Cb 0.63 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1ya9 h SER 167 CO 0.04 -0.23 0.25 0.00 -0.53 0.00 0.00 176.83 176.36 1ya9 h ALA 168 N 1.70 0.61 -0.75 6.23 0.00 -1.94 -0.54 119.26 124.56 1ya9 h ALA 168 Ca 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ya9 h ALA 168 Cb 0.53 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ya9 h ALA 168 CO -0.71 0.14 0.40 0.82 0.00 0.00 0.00 179.25 179.90 1ya9 h ILE 169 N 0.62 1.23 -0.52 0.00 2.04 -0.96 -1.03 117.51 118.89 1ya9 h ILE 169 Ca 0.16 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1ya9 h ILE 169 Cb 0.07 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1ya9 h ILE 169 CO -0.02 0.26 -0.06 0.03 0.00 0.00 0.00 178.15 178.36 1ya9 h ARG 170 N 1.05 0.93 0.00 2.37 3.08 -0.52 -1.24 114.38 120.05 1ya9 h ARG 170 Ca 0.26 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1ya9 h ARG 170 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ya9 h ARG 170 CO -0.04 0.96 -0.16 0.93 -1.07 0.00 0.00 179.97 180.59 1ya9 h GLU 171 N 0.84 0.00 -0.06 0.04 5.08 -0.23 -1.52 114.58 118.74 1ya9 h GLU 171 Ca 0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1ya9 h GLU 171 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ya9 h GLU 171 CO 0.04 0.16 -0.85 -0.09 -1.00 0.00 0.00 179.01 177.26 1ya9 h ARG 172 N 0.00 0.53 0.05 2.33 2.43 -0.82 -3.38 114.38 115.53 1ya9 h ARG 172 Ca -0.00 -0.49 -0.23 0.00 -0.81 0.00 0.00 59.98 58.45 1ya9 h ARG 172 Cb 0.67 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1ya9 h ARG 172 CO 0.02 1.12 -1.05 -0.07 -1.51 0.00 0.00 179.97 178.48 1ya9 h LEU 173 N 0.33 0.31 0.00 3.80 4.07 -0.94 -3.50 115.31 119.38 1ya9 h LEU 173 Ca -0.06 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1ya9 h LEU 173 Cb 1.46 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1ya9 h LEU 173 CO 0.15 1.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.29 1ya9 n GLY 174 N 1.22 -0.06 3.58 0.83 0.00 -0.60 -4.83 105.19 105.33 1ya9 n GLY 174 Ca -0.05 -0.88 -0.51 0.00 0.00 0.00 0.00 46.02 44.58 1ya9 n GLY 174 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ya9 n PRO 175 N -1.02 1.10 -3.73 1.61 -0.02 -1.26 -4.97 135.00 126.71 1ya9 n PRO 175 Ca 0.00 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 1ya9 n PRO 175 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 1ya9 n PRO 175 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ya9 s LEU 176 N 0.55 3.62 0.00 2.45 2.96 -1.26 -5.05 118.68 121.94 1ya9 s LEU 176 Ca 0.81 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1ya9 s LEU 176 Cb -0.93 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1ya9 s LEU 176 CO 0.49 -0.07 0.49 0.52 -1.32 0.00 0.00 176.35 176.46