#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yak h PHE 3 N 0.00 0.00 -0.41 2.13 3.04 -1.96 -2.54 116.94 117.20 1yak h PHE 3 Ca 0.00 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1yak h PHE 3 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1yak h PHE 3 CO 0.00 0.51 -0.11 0.66 -2.02 0.00 0.00 178.31 177.35 1yak h SER 4 N 0.00 0.70 -0.58 0.41 4.64 -1.93 -1.57 113.55 115.23 1yak h SER 4 Ca -0.01 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 1yak h SER 4 Cb 0.93 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1yak h SER 4 CO 0.07 0.84 0.07 -0.33 -0.87 0.00 0.00 176.83 176.61 1yak h GLU 5 N 0.65 0.97 -0.70 4.77 4.39 -1.90 -0.98 114.58 121.78 1yak h GLU 5 Ca 0.11 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1yak h GLU 5 Cb 0.56 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1yak h GLU 5 CO 0.04 0.94 0.27 1.49 -1.16 0.00 0.00 179.01 180.58 1yak h GLU 6 N 0.87 1.06 -0.30 2.33 4.81 -1.19 -1.42 114.58 120.74 1yak h GLU 6 Ca 0.17 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1yak h GLU 6 Cb 0.45 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1yak h GLU 6 CO 0.02 0.88 -0.32 0.00 -0.73 0.00 0.00 179.01 178.86 1yak h ARG 8 N 0.55 0.84 -0.60 0.00 9.65 -0.81 -1.84 114.38 122.17 1yak h ARG 8 Ca 0.06 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1yak h ARG 8 Cb 0.82 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1yak h ARG 8 CO 0.07 0.58 -0.01 0.77 2.80 0.00 0.00 179.97 184.19 1yak h SER 9 N 0.85 1.04 0.30 -3.80 0.02 -0.99 -2.00 113.55 108.98 1yak h SER 9 Ca 0.23 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1yak h SER 9 Cb -0.06 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 1yak h SER 9 CO -0.05 1.10 -0.17 0.00 -1.14 0.00 0.00 176.83 176.58 1yak h ALA 10 N 0.98 1.43 -0.66 3.77 0.00 -0.90 -2.28 119.26 121.60 1yak h ALA 10 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yak h ALA 10 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yak h ALA 10 CO 0.03 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1yak n ALA 11 N -2.37 2.36 -0.31 0.00 0.00 -0.73 -4.65 120.51 114.81 1yak n ALA 11 Ca -0.02 -1.26 0.16 0.00 0.00 0.00 0.00 53.44 52.33 1yak n ALA 11 Cb 0.26 -0.86 0.34 0.00 0.00 0.00 0.00 19.45 19.18 1yak n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yak h ALA 12 N 4.06 1.42 -0.92 0.00 0.00 -0.75 -0.81 119.26 122.25 1yak h ALA 12 Ca 0.00 0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.33 1yak h ALA 12 Cb 0.96 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1yak h ALA 12 CO 0.00 -0.55 0.51 1.49 0.00 0.00 0.00 179.25 180.70 1yak h GLU 13 N 0.16 0.64 0.00 0.00 4.81 -1.84 0.44 114.58 118.80 1yak h GLU 13 Ca 0.61 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1yak h GLU 13 Cb 1.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1yak h GLU 13 CO -0.71 0.42 -0.89 0.91 -0.73 0.00 0.00 179.01 178.01 1yak n TRP 14 N -4.85 0.75 -0.08 0.92 8.01 -0.36 -1.80 117.44 120.04 1yak n TRP 14 Ca 0.20 0.22 -0.15 0.00 -1.31 0.00 0.00 57.50 56.46 1yak n TRP 14 Cb 0.52 -0.80 -0.12 0.00 -2.01 0.00 0.00 31.31 28.90 1yak n TRP 14 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.69 175.19 1yak h TRP 15 N 0.00 0.00 -0.36 -5.99 4.06 -0.75 -2.94 115.95 109.98 1yak h TRP 15 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1yak h TRP 15 Cb 0.89 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1yak h TRP 15 CO 0.00 1.06 0.04 0.93 -3.56 0.00 0.00 178.44 176.91 1yak h GLU 16 N -1.00 0.60 -0.17 0.49 5.08 -0.30 -1.86 114.58 117.43 1yak h GLU 16 Ca -0.08 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1yak h GLU 16 Cb 1.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1yak h GLU 16 CO -0.05 0.69 0.20 0.78 -1.00 0.00 0.00 179.01 179.64 1yak h GLY 17 N 0.43 0.00 0.55 -3.84 0.00 -1.49 -1.42 103.07 97.31 1yak h GLY 17 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1yak h GLY 17 CO 0.01 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 178.19 1yak h SER 18 N 0.00 0.19 -0.72 0.19 0.02 -1.14 -2.64 113.55 109.44 1yak h SER 18 Ca 0.08 -0.58 0.17 0.00 -0.84 0.00 0.00 61.79 60.62 1yak h SER 18 Cb 0.49 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 1yak h SER 18 CO -0.00 0.74 0.50 -0.26 -1.14 0.00 0.00 176.83 176.66 1yak h PHE 19 N -0.35 0.30 -0.23 3.45 0.05 -1.08 -1.48 116.94 117.61 1yak h PHE 19 Ca -0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1yak h PHE 19 Cb 0.71 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.57 1yak h PHE 19 CO 0.12 0.11 0.00 1.33 -0.18 0.00 0.00 178.31 179.69 1yak n VAL 20 N -4.43 2.12 -2.44 -0.55 0.24 -1.18 -4.71 118.33 107.38 1yak n VAL 20 Ca 0.14 -1.85 -0.41 0.00 -2.04 0.00 0.00 64.34 60.18 1yak n VAL 20 Cb 0.62 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 1yak n VAL 20 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1yak s HIS 21 N -2.67 3.50 0.35 6.34 5.04 -0.56 -4.88 115.29 122.41 1yak s HIS 21 Ca 0.39 1.48 0.13 0.00 -1.54 0.00 0.00 55.06 55.53 1yak s HIS 21 Cb 0.31 -3.36 0.98 0.00 0.04 0.00 0.00 32.58 30.55 1yak s HIS 21 CO 0.08 -0.96 1.74 -1.00 -2.34 0.00 0.00 174.74 172.27 1yak h PRO 22 N 5.37 0.49 -0.21 2.88 0.13 -1.90 -0.60 132.00 138.17 1yak h PRO 22 Ca -0.44 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1yak h PRO 22 Cb 1.21 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1yak h PRO 22 CO 0.74 0.32 0.02 0.35 -0.23 0.00 0.00 178.00 179.21 1yak h PHE 23 N 0.50 0.38 -0.55 1.56 3.04 -1.91 -0.79 116.94 119.17 1yak h PHE 23 Ca 0.63 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 62.44 1yak h PHE 23 Cb 1.35 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.74 1yak h PHE 23 CO -0.00 0.51 0.03 0.28 -2.02 0.00 0.00 178.31 177.10 1yak h VAL 24 N 0.14 1.25 0.00 1.41 2.07 -1.56 -2.42 116.25 117.13 1yak h VAL 24 Ca 0.06 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1yak h VAL 24 Cb 0.34 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1yak h VAL 24 CO 0.01 0.37 -0.34 1.56 0.02 0.00 0.00 177.57 179.19 1yak h GLN 25 N 0.85 0.00 0.00 1.57 4.20 -1.04 -2.48 115.11 118.20 1yak h GLN 25 Ca 0.16 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1yak h GLN 25 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1yak h GLN 25 CO 0.02 0.34 -0.48 0.78 -0.67 0.00 0.00 178.83 178.82 1yak h GLY 26 N 1.97 0.00 1.17 3.46 0.00 -0.67 -2.09 103.07 106.91 1yak h GLY 26 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1yak h GLY 26 CO 0.04 0.00 -0.81 -2.22 0.00 0.00 0.00 176.54 173.55 1yak h ILE 27 N 0.00 1.28 -0.21 2.60 2.04 -1.08 0.12 117.51 122.26 1yak h ILE 27 Ca -0.00 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.85 1yak h ILE 27 Cb 0.99 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1yak h ILE 27 CO 0.06 0.63 0.10 1.23 0.00 0.00 0.00 178.15 180.18 1yak h GLY 28 N 0.51 0.31 -0.97 5.37 0.00 -1.20 -3.05 103.07 104.05 1yak h GLY 28 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1yak h GLY 28 CO 0.17 0.14 -0.14 2.09 0.00 0.00 0.00 176.54 178.80 1yak n ASP 29 N -4.87 2.05 0.00 0.19 3.85 -0.81 -2.49 116.55 114.47 1yak n ASP 29 Ca -0.04 -1.58 0.00 0.00 -0.71 0.00 0.00 54.79 52.47 1yak n ASP 29 Cb 0.09 0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1yak n ASP 29 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yak n GLY 30 N 1.31 0.31 0.09 6.12 0.00 0.35 -4.66 105.19 108.72 1yak n GLY 30 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1yak n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yak n THR 31 N -2.58 0.00 -1.94 2.61 -2.24 -0.91 -4.84 114.28 104.38 1yak n THR 31 Ca 0.00 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1yak n THR 31 Cb 0.19 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1yak n THR 31 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1yak s LEU 32 N -2.61 4.36 0.04 3.22 2.96 -1.02 -4.90 118.68 120.74 1yak s LEU 32 Ca 0.25 2.42 -0.30 0.00 -0.22 0.00 0.00 54.13 56.27 1yak s LEU 32 Cb 0.20 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.25 1yak s LEU 32 CO 0.51 -0.91 1.83 -2.16 -1.32 0.00 0.00 176.35 174.30 1yak s PRO 33 N 3.21 4.16 0.56 0.98 0.04 -1.26 -4.86 135.00 137.84 1yak s PRO 33 Ca 0.75 2.48 0.38 0.00 0.04 0.00 0.00 61.00 64.64 1yak s PRO 33 Cb -0.38 -3.93 1.50 0.00 0.04 0.00 0.00 34.50 31.74 1yak s PRO 33 CO 0.32 -0.88 1.69 0.97 0.04 0.00 0.00 177.00 179.15 1yak h ILE 34 N 5.31 0.25 -0.10 0.56 6.09 -1.94 0.80 117.51 128.47 1yak h ILE 34 Ca -0.46 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 62.97 1yak h ILE 34 Cb 1.22 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1yak h ILE 34 CO 0.94 0.00 -0.24 -2.24 -3.07 0.00 0.00 178.15 173.54 1yak h ASP 35 N 0.00 0.18 1.06 2.19 3.04 -1.99 0.71 116.42 121.61 1yak h ASP 35 Ca 0.60 -0.05 -0.16 0.00 -3.24 0.00 0.00 57.03 54.18 1yak h ASP 35 Cb 2.59 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 40.81 1yak h ASP 35 CO -0.01 0.43 -0.75 0.03 -2.04 0.00 0.00 179.24 176.90 1yak h ARG 36 N 0.17 0.00 0.00 4.15 3.08 -1.14 -2.10 114.38 118.54 1yak h ARG 36 Ca 0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1yak h ARG 36 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1yak h ARG 36 CO 0.04 0.75 -0.58 0.35 -1.07 0.00 0.00 179.97 179.45 1yak h PHE 37 N 0.00 0.00 -0.38 3.04 3.04 -1.42 -1.12 116.94 120.09 1yak h PHE 37 Ca -0.01 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 1yak h PHE 37 Cb 1.48 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.98 1yak h PHE 37 CO 0.00 0.58 -0.26 -0.22 -2.02 0.00 0.00 178.31 176.40 1yak h LYS 38 N 0.00 0.85 -0.69 1.11 3.64 -0.67 -0.23 116.57 120.58 1yak h LYS 38 Ca -0.01 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 1yak h LYS 38 Cb 1.29 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1yak h LYS 38 CO 0.08 1.04 0.14 -0.92 -2.27 0.00 0.00 179.45 177.52 1yak h TYR 39 N 0.65 1.18 0.05 1.91 5.03 -1.22 -2.59 116.97 121.98 1yak h TYR 39 Ca 0.08 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 1yak h TYR 39 Cb 0.83 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1yak h TYR 39 CO 0.06 0.97 -0.02 -0.92 -1.32 0.00 0.00 178.16 176.93 1yak h TYR 40 N 1.05 -0.06 -0.95 -3.82 5.03 -0.89 -2.32 116.97 115.00 1yak h TYR 40 Ca 0.21 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.64 1yak h TYR 40 Cb 0.41 0.02 -0.08 0.00 1.55 0.00 0.00 36.73 38.62 1yak h TYR 40 CO 0.03 -0.01 0.58 0.28 -1.32 0.00 0.00 178.16 177.72 1yak h VAL 41 N -0.09 0.88 0.18 1.81 2.07 -0.85 0.47 116.25 120.72 1yak h VAL 41 Ca -0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1yak h VAL 41 Cb 0.08 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1yak h VAL 41 CO 0.01 0.16 -0.09 -0.07 0.02 0.00 0.00 177.57 177.61 1yak h LEU 42 N 0.90 -0.20 -2.09 2.57 3.38 -1.33 -1.04 115.31 117.50 1yak h LEU 42 Ca 0.48 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1yak h LEU 42 Cb 0.51 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yak h LEU 42 CO -0.28 0.17 0.07 1.56 0.09 0.00 0.00 178.44 180.05 1yak h GLN 43 N -0.60 0.00 0.00 1.13 1.08 -0.86 -1.71 115.11 114.16 1yak h GLN 43 Ca -0.02 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 1yak h GLN 43 Cb 0.45 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1yak h GLN 43 CO 0.04 0.00 -0.69 0.22 -0.95 0.00 0.00 178.83 177.45 1yak h ASP 44 N 0.00 0.00 -0.32 1.46 3.58 0.15 -2.02 116.42 119.27 1yak h ASP 44 Ca 0.04 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 1yak h ASP 44 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1yak h ASP 44 CO -0.00 0.68 -0.26 -1.28 -2.88 0.00 0.00 179.24 175.51 1yak h SER 45 N 0.00 0.79 -0.41 2.28 0.87 -0.30 -0.66 113.55 116.12 1yak h SER 45 Ca -0.01 -0.45 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1yak h SER 45 Cb 1.53 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.24 1yak h SER 45 CO 0.09 1.07 0.22 0.22 -0.53 0.00 0.00 176.83 177.90 1yak h TYR 46 N 0.51 0.41 -0.54 2.24 3.20 -1.40 -2.02 116.97 119.37 1yak h TYR 46 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1yak h TYR 46 Cb 0.82 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1yak h TYR 46 CO 0.07 0.23 0.32 -0.92 -1.64 0.00 0.00 178.16 176.21 1yak h TYR 47 N 0.45 0.59 -0.72 -3.82 3.20 -1.01 -2.76 116.97 112.90 1yak h TYR 47 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1yak h TYR 47 Cb 0.05 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1yak h TYR 47 CO -0.09 0.32 0.23 -0.07 -1.64 0.00 0.00 178.16 176.91 1yak h LEU 48 N 0.62 1.03 -0.50 2.82 3.38 -0.71 0.14 115.31 122.09 1yak h LEU 48 Ca 0.22 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1yak h LEU 48 Cb 0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1yak h LEU 48 CO -0.11 0.96 0.13 0.74 0.09 0.00 0.00 178.44 180.25 1yak h THR 49 N 1.06 0.77 0.00 0.22 2.02 -1.09 0.14 112.91 116.02 1yak h THR 49 Ca 0.23 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 1yak h THR 49 Cb 0.29 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1yak h THR 49 CO -0.01 0.05 -0.82 0.45 0.37 0.00 0.00 175.52 175.56 1yak h HIS 50 N 0.28 0.00 -0.78 3.16 3.86 -1.31 -2.60 115.15 117.77 1yak h HIS 50 Ca 0.25 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1yak h HIS 50 Cb 0.30 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1yak h HIS 50 CO -0.20 0.82 0.35 0.35 0.86 0.00 0.00 177.93 180.11 1yak h PHE 51 N 0.00 1.13 -0.41 2.45 3.57 0.13 -0.51 116.94 123.30 1yak h PHE 51 Ca -0.01 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1yak h PHE 51 Cb 1.46 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 1yak h PHE 51 CO 0.00 0.84 0.04 0.00 -2.23 0.00 0.00 178.31 176.95 1yak h ALA 52 N 1.27 0.55 -0.53 2.41 0.00 -0.62 0.04 119.26 122.38 1yak h ALA 52 Ca 0.26 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1yak h ALA 52 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yak h ALA 52 CO -0.03 0.30 0.06 0.87 0.00 0.00 0.00 179.25 180.45 1yak h LYS 53 N 0.55 0.89 -0.14 0.00 1.57 -1.18 -1.44 116.57 116.82 1yak h LYS 53 Ca 0.12 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1yak h LYS 53 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1yak h LYS 53 CO 0.01 0.88 -0.34 0.28 -0.57 0.00 0.00 179.45 179.72 1yak h VAL 54 N 0.77 1.28 -0.66 0.50 2.07 -0.97 -0.88 116.25 118.35 1yak h VAL 54 Ca 0.16 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1yak h VAL 54 Cb 0.44 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1yak h VAL 54 CO 0.02 0.41 0.28 1.56 0.02 0.00 0.00 177.57 179.86 1yak h GLN 55 N 0.25 0.95 -0.26 1.57 4.20 -0.58 -1.13 115.11 120.11 1yak h GLN 55 Ca 0.03 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1yak h GLN 55 Cb 0.73 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1yak h GLN 55 CO 0.06 0.76 -0.39 0.77 -0.67 0.00 0.00 178.83 179.36 1yak h SER 56 N 0.94 0.62 -0.76 1.46 0.02 -0.41 -2.04 113.55 113.39 1yak h SER 56 Ca 0.23 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1yak h SER 56 Cb 0.15 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1yak h SER 56 CO -0.02 0.95 0.49 -0.26 -1.14 0.00 0.00 176.83 176.84 1yak h PHE 57 N 0.49 0.97 -0.36 3.45 0.04 -0.34 -0.83 116.94 120.37 1yak h PHE 57 Ca 0.04 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.85 1yak h PHE 57 Cb 0.89 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1yak h PHE 57 CO 0.04 0.63 0.21 0.78 -0.60 0.00 0.00 178.31 179.36 1yak h GLY 58 N 1.05 0.50 0.94 -1.45 0.00 -0.55 -0.99 103.07 102.57 1yak h GLY 58 Ca 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1yak h GLY 58 CO -0.06 0.14 0.18 0.00 0.00 0.00 0.00 176.54 176.81 1yak h ALA 59 N 1.16 0.39 -0.73 3.60 0.00 -0.77 0.03 119.26 122.94 1yak h ALA 59 Ca 0.14 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1yak h ALA 59 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1yak h ALA 59 CO -0.07 -0.18 0.48 0.00 0.00 0.00 0.00 179.25 179.49 1yak h ALA 60 N 1.14 1.80 -0.01 0.00 0.00 -0.76 -2.53 119.26 118.89 1yak h ALA 60 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1yak h ALA 60 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1yak h ALA 60 CO -0.05 0.05 -0.39 0.66 0.00 0.00 0.00 179.25 179.52 1yak n TYR 61 N -4.49 0.00 -1.85 0.00 4.01 -0.41 -4.96 117.16 109.46 1yak n TYR 61 Ca 0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.47 1yak n TYR 61 Cb 0.31 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 1yak n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yak s ALA 62 N -2.50 2.94 -0.60 -0.72 0.00 -0.06 -4.32 121.76 116.50 1yak s ALA 62 Ca 0.21 1.31 0.25 0.00 0.00 0.00 0.00 51.96 53.74 1yak s ALA 62 Cb 0.19 -3.55 0.73 0.00 0.00 0.00 0.00 23.12 20.49 1yak s ALA 62 CO 0.55 -1.24 1.74 0.87 0.00 0.00 0.00 175.76 177.69 1yak h LYS 63 N 1.75 0.00 -4.71 0.00 1.79 -1.91 -3.45 116.57 110.05 1yak h LYS 63 Ca -0.51 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.49 1yak h LYS 63 Cb 1.28 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.62 1yak h LYS 63 CO 0.59 0.00 -0.80 0.16 -1.08 0.00 0.00 179.45 178.31 1yak s ASP 64 N -4.98 1.54 0.39 0.86 -4.77 -1.26 -5.03 116.67 103.42 1yak s ASP 64 Ca 0.09 -0.25 0.21 0.00 -3.30 0.00 0.00 52.55 49.30 1yak s ASP 64 Cb 0.10 -0.51 1.21 0.00 -1.09 0.00 0.00 42.92 42.63 1yak s ASP 64 CO 0.60 0.07 1.67 0.25 0.70 0.00 0.00 175.17 178.46 1yak h LEU 65 N 6.55 0.41 0.46 2.11 5.85 -1.97 0.65 115.31 129.36 1yak h LEU 65 Ca -0.33 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1yak h LEU 65 Cb 1.17 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1yak h LEU 65 CO 0.48 -0.10 -0.35 0.22 -0.34 0.00 0.00 178.44 178.35 1yak h TYR 66 N 0.26 -0.94 -0.94 1.25 -0.00 -1.98 -0.88 116.97 113.74 1yak h TYR 66 Ca 0.73 -0.00 0.08 0.00 -0.00 0.00 0.00 58.73 59.54 1yak h TYR 66 Cb 1.94 0.35 -0.07 0.00 -0.00 0.00 0.00 36.73 38.95 1yak h TYR 66 CO -0.01 -0.51 0.59 1.15 -0.00 0.00 0.00 178.16 179.38 1yak h THR 67 N -0.80 1.01 -0.33 1.81 2.02 -1.33 0.14 112.91 115.42 1yak h THR 67 Ca -0.05 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 66.85 1yak h THR 67 Cb 0.68 -0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1yak h THR 67 CO 0.01 0.19 -0.06 0.74 0.37 0.00 0.00 175.52 176.76 1yak h THR 68 N 1.02 0.69 -0.64 3.16 2.02 -0.74 0.39 112.91 118.81 1yak h THR 68 Ca 0.43 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.55 1yak h THR 68 Cb 0.27 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1yak h THR 68 CO -0.21 0.00 0.21 1.23 0.37 0.00 0.00 175.52 177.13 1yak h GLY 69 N 0.03 1.07 0.79 2.16 0.00 0.13 0.21 103.07 107.46 1yak h GLY 69 Ca 0.16 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.89 1yak h GLY 69 CO -0.32 0.59 0.12 3.21 0.00 0.00 0.00 176.54 180.14 1yak h ARG 70 N 0.93 0.26 -0.40 4.80 2.47 0.48 0.15 114.38 123.06 1yak h ARG 70 Ca 0.21 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.79 1yak h ARG 70 Cb 0.28 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1yak h ARG 70 CO -0.01 0.17 -0.22 0.52 0.56 0.00 0.00 179.97 180.99 1yak h MET 71 N 0.27 0.86 -0.93 0.04 2.86 -0.01 -2.26 114.93 115.75 1yak h MET 71 Ca 0.13 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1yak h MET 71 Cb 0.08 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1yak h MET 71 CO -0.12 1.03 0.60 0.00 1.06 0.00 0.00 176.91 179.48 1yak h ALA 72 N 0.81 1.25 0.21 6.32 0.00 -0.27 -1.71 119.26 125.87 1yak h ALA 72 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1yak h ALA 72 Cb 0.79 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1yak h ALA 72 CO 0.06 0.42 -0.31 1.03 0.00 0.00 0.00 179.25 180.46 1yak h SER 73 N 1.12 -0.85 -0.51 0.00 0.87 -0.30 -0.91 113.55 112.97 1yak h SER 73 Ca 0.39 0.09 0.15 0.00 -1.23 0.00 0.00 61.79 61.18 1yak h SER 73 Cb 0.08 0.31 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1yak h SER 73 CO -0.15 -0.42 0.38 0.45 -0.53 0.00 0.00 176.83 176.57 1yak h HIS 74 N -0.59 0.00 -0.11 2.24 3.86 -0.83 0.39 115.15 120.11 1yak h HIS 74 Ca 0.01 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.07 1yak h HIS 74 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1yak h HIS 74 CO -0.23 0.00 -0.56 0.00 0.86 0.00 0.00 177.93 178.00 1yak h ALA 75 N 1.72 0.82 -0.38 2.45 0.00 -0.32 -1.73 119.26 121.83 1yak h ALA 75 Ca 0.24 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1yak h ALA 75 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1yak h ALA 75 CO -0.00 0.70 -0.33 0.37 0.00 0.00 0.00 179.25 179.99 1yak h GLN 76 N 0.27 0.88 -0.97 0.00 4.15 0.36 -3.01 115.11 116.78 1yak h GLN 76 Ca 0.00 -0.45 0.09 0.00 0.77 0.00 0.00 58.65 59.07 1yak h GLN 76 Cb 1.07 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 1yak h GLN 76 CO 0.09 1.10 0.62 0.78 -1.93 0.00 0.00 178.83 179.49 1yak h GLY 77 N 0.69 1.50 2.00 2.39 0.00 -0.15 -0.09 103.07 109.41 1yak h GLY 77 Ca 0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1yak h GLY 77 CO 0.08 0.24 -0.34 -0.84 0.00 0.00 0.00 176.54 175.69 1yak h THR 78 N 1.03 1.15 -0.03 4.70 2.02 -1.22 0.18 112.91 120.73 1yak h THR 78 Ca 0.45 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1yak h THR 78 Cb 0.35 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1yak h THR 78 CO -0.21 0.33 -0.07 0.22 0.37 0.00 0.00 175.52 176.17 1yak h TYR 79 N 0.00 0.13 0.55 3.16 3.20 -0.94 -2.82 116.97 120.26 1yak h TYR 79 Ca -0.00 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1yak h TYR 79 Cb 0.63 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.88 1yak h TYR 79 CO 0.00 0.65 -0.27 0.93 -1.64 0.00 0.00 178.16 177.83 1yak h GLU 80 N -0.42 -0.72 -0.90 1.82 5.08 -0.99 -2.24 114.58 116.21 1yak h GLU 80 Ca 0.00 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.66 1yak h GLU 80 Cb 0.64 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.90 1yak h GLU 80 CO 0.01 -0.42 0.22 0.00 -1.00 0.00 0.00 179.01 177.82 1yak h ALA 81 N -0.54 1.31 -0.35 3.43 0.00 -0.76 0.42 119.26 122.77 1yak h ALA 81 Ca -0.08 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1yak h ALA 81 Cb 0.62 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yak h ALA 81 CO 0.12 -0.52 0.01 1.49 0.00 0.00 0.00 179.25 180.35 1yak h GLU 82 N 0.16 0.62 0.02 0.00 4.22 -1.39 -3.01 114.58 115.20 1yak h GLU 82 Ca 0.58 -0.19 0.02 0.00 0.08 0.00 0.00 59.36 59.84 1yak h GLU 82 Cb 1.21 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1yak h GLU 82 CO -0.71 0.73 -0.15 0.52 -2.18 0.00 0.00 179.01 177.23 1yak h MET 83 N 0.44 -0.25 -0.67 1.92 2.86 0.35 0.33 114.93 119.91 1yak h MET 83 Ca 0.10 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.90 1yak h MET 83 Cb 0.45 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.05 1yak h MET 83 CO 0.02 -0.16 0.04 0.00 1.06 0.00 0.00 176.91 177.87 1yak h ALA 84 N 0.67 0.72 0.00 6.32 0.00 -0.94 -0.84 119.26 125.19 1yak h ALA 84 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yak h ALA 84 Cb 0.31 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yak h ALA 84 CO -0.12 -0.39 -0.43 1.28 0.00 0.00 0.00 179.25 179.59 1yak n LEU 85 N -5.26 0.56 -0.01 0.00 4.77 -1.08 -4.24 117.00 111.75 1yak n LEU 85 Ca 0.11 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1yak n LEU 85 Cb 0.40 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1yak n LEU 85 CO 0.10 -0.01 0.81 -0.74 -1.33 0.00 0.00 177.39 176.22 1yak h HIS 86 N 0.00 -0.18 0.08 -1.77 2.76 0.12 -1.92 115.15 114.24 1yak h HIS 86 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1yak h HIS 86 Cb 0.64 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 1yak h HIS 86 CO 0.00 -0.12 -0.25 -0.09 -1.30 0.00 0.00 177.93 176.17 1yak h ARG 87 N -0.08 -0.36 -0.36 5.26 9.65 -1.73 -0.79 114.38 125.97 1yak h ARG 87 Ca 0.08 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.06 1yak h ARG 87 Cb 0.19 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 1yak h ARG 87 CO -0.17 -0.24 -0.12 1.49 2.80 0.00 0.00 179.97 183.72 1yak h GLU 88 N -0.38 -0.04 -0.57 0.20 4.81 -1.78 -1.08 114.58 115.74 1yak h GLU 88 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1yak h GLU 88 Cb 0.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1yak h GLU 88 CO -0.13 -0.03 0.27 0.74 -0.73 0.00 0.00 179.01 179.13 1yak h PHE 89 N -0.04 0.83 -0.54 0.92 -1.00 -1.32 0.46 116.94 116.24 1yak h PHE 89 Ca 0.18 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.97 1yak h PHE 89 Cb 0.31 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 1yak h PHE 89 CO -0.35 0.64 0.26 0.00 -1.61 0.00 0.00 178.31 177.25 1yak h ALA 90 N 1.11 0.69 0.31 2.45 0.00 -0.62 -0.24 119.26 122.95 1yak h ALA 90 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1yak h ALA 90 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yak h ALA 90 CO -0.02 -0.09 -0.15 0.93 0.00 0.00 0.00 179.25 179.92 1yak h GLU 91 N 0.50 -0.40 -0.13 0.00 4.39 -0.70 -3.20 114.58 115.05 1yak h GLU 91 Ca 0.24 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.00 1yak h GLU 91 Cb 0.17 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1yak h GLU 91 CO -0.18 -0.27 0.33 -0.07 -1.16 0.00 0.00 179.01 177.66 1yak h LEU 92 N -0.48 0.00 -8.99 1.33 3.38 -0.88 -3.40 115.31 106.28 1yak h LEU 92 Ca -0.04 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.24 1yak h LEU 92 Cb 0.32 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.85 1yak h LEU 92 CO 0.07 0.00 -0.77 -0.76 0.09 0.00 0.00 178.44 177.07 1yak s LEU 93 N -6.41 2.77 -1.25 1.67 1.43 -0.11 -5.02 118.68 111.76 1yak s LEU 93 Ca -0.04 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 1yak s LEU 93 Cb 0.11 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1yak s LEU 93 CO 0.38 0.30 2.23 -0.62 0.23 0.00 0.00 176.35 178.87 1yak n GLU 94 N 1.86 2.53 -2.94 1.70 -0.58 -1.26 -4.66 120.64 117.30 1yak n GLU 94 Ca -0.16 -2.26 -0.44 0.00 -0.42 0.00 0.00 57.16 53.88 1yak n GLU 94 Cb 0.52 -3.06 -0.03 0.00 -0.57 0.00 0.00 31.44 28.30 1yak n GLU 94 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1yak s ILE 95 N 3.58 4.74 0.74 -3.67 1.01 -1.25 -5.02 121.20 121.33 1yak s ILE 95 Ca 0.52 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1yak s ILE 95 Cb 0.14 -4.76 0.19 0.00 0.01 0.00 0.00 42.46 38.04 1yak s ILE 95 CO -0.02 -1.49 0.62 -1.54 0.00 0.00 0.00 174.94 172.51 1yak n SER 96 N 6.51 -1.90 -0.02 3.58 3.41 -1.26 -4.95 113.62 118.99 1yak n SER 96 Ca 0.22 -0.83 0.05 0.00 -0.26 0.00 0.00 58.87 58.05 1yak n SER 96 Cb 0.49 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 1yak n SER 96 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1yak n GLU 97 N -3.58 0.73 0.00 4.33 2.13 -1.26 -3.44 120.64 119.54 1yak n GLU 97 Ca 0.09 -0.12 0.08 0.00 0.66 0.00 0.00 57.16 57.87 1yak n GLU 97 Cb 0.35 -1.38 0.42 0.00 0.27 0.00 0.00 31.44 31.10 1yak n GLU 97 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1yak n GLU 98 N -2.17 0.32 -0.07 5.31 2.13 -1.26 -2.31 120.64 122.59 1yak n GLU 98 Ca -0.08 0.09 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 1yak n GLU 98 Cb 0.54 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.71 1yak n GLU 98 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1yak n GLU 99 N -1.18 0.42 -0.09 5.31 1.02 -1.25 -3.91 120.64 120.95 1yak n GLU 99 Ca 0.09 0.17 0.25 0.00 -0.02 0.00 0.00 57.16 57.66 1yak n GLU 99 Cb 0.10 -1.24 0.58 0.00 -0.02 0.00 0.00 31.44 30.86 1yak n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yak h ARG 100 N -0.78 0.00 0.00 3.49 3.08 -1.55 -1.01 114.38 117.62 1yak h ARG 100 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1yak h ARG 100 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1yak h ARG 100 CO -0.10 0.00 -0.31 1.57 -1.07 0.00 0.00 179.97 180.06 1yak h LYS 101 N 0.00 0.00 0.00 0.04 2.10 -1.68 -3.34 116.57 113.69 1yak h LYS 101 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1yak h LYS 101 Cb 2.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 1yak h LYS 101 CO -0.00 0.00 0.01 0.00 -2.00 0.00 0.00 179.45 177.46 1yak n ALA 102 N -3.28 1.14 -1.77 0.07 0.00 -0.49 -4.73 120.51 111.45 1yak n ALA 102 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1yak n ALA 102 Cb 0.16 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 18.82 1yak n ALA 102 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1yak s PHE 103 N -1.94 2.62 -0.05 0.00 2.19 -0.54 -5.04 117.98 115.22 1yak s PHE 103 Ca 0.00 1.31 -0.02 0.00 0.33 0.00 0.00 56.93 58.55 1yak s PHE 103 Cb 0.00 -3.83 0.03 0.00 -1.31 0.00 0.00 43.02 37.90 1yak s PHE 103 CO 0.00 -2.61 0.10 0.15 1.83 0.00 0.00 175.22 174.69 1yak s LYS 104 N -2.33 0.06 0.31 10.12 -0.14 -1.26 -5.09 119.74 121.42 1yak s LYS 104 Ca 0.58 0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 55.16 1yak s LYS 104 Cb -0.42 -0.13 -0.10 0.00 -1.68 0.00 0.00 37.83 35.51 1yak s LYS 104 CO 0.54 -0.12 1.29 -1.25 -0.76 0.00 0.00 175.35 175.05 1yak s PRO 105 N 0.80 4.38 0.94 -1.68 0.04 -1.26 -4.98 135.00 133.24 1yak s PRO 105 Ca -0.06 2.17 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 1yak s PRO 105 Cb -0.08 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 31.52 1yak s PRO 105 CO -0.03 -0.16 1.09 -1.54 0.04 0.00 0.00 177.00 176.40 1yak s SER 106 N -0.44 3.11 0.15 6.66 1.04 -1.26 -4.75 113.70 118.22 1yak s SER 106 Ca 0.49 1.33 -0.17 0.00 0.48 0.00 0.00 55.95 58.09 1yak s SER 106 Cb -0.39 -2.00 0.07 0.00 0.10 0.00 0.00 66.02 63.80 1yak s SER 106 CO 0.50 -2.85 1.72 -0.65 0.98 0.00 0.00 173.24 172.95 1yak h PRO 107 N -1.69 0.14 -0.29 4.02 0.11 -1.87 -0.22 132.00 132.20 1yak h PRO 107 Ca -0.52 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1yak h PRO 107 Cb 1.31 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1yak h PRO 107 CO 0.56 0.09 0.12 1.15 -0.21 0.00 0.00 178.00 179.72 1yak h THR 108 N 0.14 0.96 -0.76 -1.15 2.02 -1.96 0.43 112.91 112.60 1yak h THR 108 Ca 0.16 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1yak h THR 108 Cb 0.21 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1yak h THR 108 CO -0.24 0.05 0.48 0.00 0.37 0.00 0.00 175.52 176.18 1yak h ALA 109 N 1.16 0.99 -0.23 6.16 0.00 -1.82 -0.18 119.26 125.34 1yak h ALA 109 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1yak h ALA 109 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1yak h ALA 109 CO -0.10 0.29 -0.27 -0.92 0.00 0.00 0.00 179.25 178.25 1yak h TYR 110 N 0.95 0.72 -0.76 0.00 3.20 -0.52 -2.55 116.97 118.00 1yak h TYR 110 Ca 0.30 -0.22 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1yak h TYR 110 Cb -0.01 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1yak h TYR 110 CO -0.03 0.94 0.26 0.77 -1.64 0.00 0.00 178.16 178.46 1yak h SER 111 N 0.29 1.09 0.23 -2.11 0.02 0.19 -0.47 113.55 112.79 1yak h SER 111 Ca 0.03 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1yak h SER 111 Cb 0.84 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1yak h SER 111 CO 0.06 1.00 -0.11 0.22 -1.14 0.00 0.00 176.83 176.86 1yak h TYR 112 N 1.13 -0.28 0.00 3.45 5.03 -1.07 -2.10 116.97 123.13 1yak h TYR 112 Ca 0.25 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1yak h TYR 112 Cb 0.28 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1yak h TYR 112 CO 0.02 0.02 -0.15 1.79 -1.32 0.00 0.00 178.16 178.52 1yak h THR 113 N -0.58 1.05 -0.50 1.81 1.35 -1.37 0.12 112.91 114.79 1yak h THR 113 Ca -0.03 -0.51 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 1yak h THR 113 Cb 0.42 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 1yak h THR 113 CO 0.05 0.14 0.01 0.28 -0.25 0.00 0.00 175.52 175.75 1yak h SER 114 N 0.00 0.80 -0.47 5.36 0.02 -0.91 -1.42 113.55 116.93 1yak h SER 114 Ca -0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1yak h SER 114 Cb 0.27 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1yak h SER 114 CO 0.02 0.86 0.27 -0.74 -1.14 0.00 0.00 176.83 176.10 1yak h HIS 115 N 0.78 0.63 -0.83 3.45 6.17 -0.28 0.10 115.15 125.16 1yak h HIS 115 Ca 0.15 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.19 1yak h HIS 115 Cb 0.45 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.14 1yak h HIS 115 CO 0.03 0.45 0.38 0.52 0.71 0.00 0.00 177.93 180.02 1yak h MET 116 N 0.62 1.21 -0.09 5.26 2.86 -0.97 -2.29 114.93 121.52 1yak h MET 116 Ca 0.17 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1yak h MET 116 Cb 0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1yak h MET 116 CO -0.03 0.94 -0.43 1.88 1.06 0.00 0.00 176.91 180.33 1yak h TYR 117 N 1.19 0.25 -0.22 -0.22 0.05 -0.82 -2.71 116.97 114.50 1yak h TYR 117 Ca 0.28 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.92 1yak h TYR 117 Cb 0.14 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1yak h TYR 117 CO 0.02 0.61 -0.17 -0.09 -1.05 0.00 0.00 178.16 177.47 1yak h ARG 118 N 0.18 0.37 -0.25 4.88 2.43 -0.26 -2.16 114.38 119.56 1yak h ARG 118 Ca 0.01 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1yak h ARG 118 Cb 0.84 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1yak h ARG 118 CO 0.07 0.54 -0.02 0.66 -1.51 0.00 0.00 179.97 179.70 1yak h SER 119 N 0.34 0.36 -0.40 -3.80 4.64 -1.11 -2.73 113.55 110.85 1yak h SER 119 Ca 0.06 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1yak h SER 119 Cb 0.51 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1yak h SER 119 CO 0.03 0.44 0.24 0.58 -0.87 0.00 0.00 176.83 177.25 1yak h VAL 120 N 0.37 1.05 0.00 0.95 2.07 -1.37 -2.05 116.25 117.28 1yak h VAL 120 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1yak h VAL 120 Cb 0.29 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1yak h VAL 120 CO 0.01 0.09 0.18 0.18 0.02 0.00 0.00 177.57 178.05 1yak n LEU 121 N -4.85 0.06 0.05 2.57 4.32 -1.03 0.11 117.00 118.24 1yak n LEU 121 Ca 0.01 0.38 0.13 0.00 -0.02 0.00 0.00 56.01 56.51 1yak n LEU 121 Cb 0.05 -0.37 0.40 0.00 -1.62 0.00 0.00 43.42 41.88 1yak n LEU 121 CO 0.33 -0.40 0.75 -1.54 -1.22 0.00 0.00 177.39 175.30 1yak n SER 122 N -1.46 0.52 -1.95 -1.43 3.41 -0.77 -4.91 113.62 107.03 1yak n SER 122 Ca -0.00 0.36 -0.17 0.00 -0.26 0.00 0.00 58.87 58.80 1yak n SER 122 Cb 0.18 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1yak n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yak n GLY 123 N 1.39 0.54 3.02 5.00 0.00 0.12 -4.94 105.19 110.31 1yak n GLY 123 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1yak n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yak s ASN 124 N -2.22 4.19 0.27 1.61 3.04 -1.26 -5.03 114.94 115.54 1yak s ASN 124 Ca 0.00 -1.30 -0.00 0.00 0.04 0.00 0.00 52.86 51.60 1yak s ASN 124 Cb 0.00 -1.39 0.60 0.00 -1.54 0.00 0.00 41.25 38.92 1yak s ASN 124 CO 0.00 -0.21 1.69 0.15 -3.04 0.00 0.00 177.10 175.69 1yak h PHE 125 N 7.85 0.48 -0.76 0.43 3.57 -1.92 0.11 116.94 126.70 1yak h PHE 125 Ca -0.19 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1yak h PHE 125 Cb 1.05 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 1yak h PHE 125 CO 0.58 -0.06 0.50 0.00 -2.23 0.00 0.00 178.31 177.10 1yak h ALA 126 N 1.66 1.54 0.00 2.41 0.00 -1.95 0.41 119.26 123.33 1yak h ALA 126 Ca 0.49 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1yak h ALA 126 Cb 0.89 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yak h ALA 126 CO -0.52 0.39 -0.65 0.93 0.00 0.00 0.00 179.25 179.41 1yak h GLU 127 N 0.94 0.00 0.03 0.00 5.08 -1.36 -1.33 114.58 117.94 1yak h GLU 127 Ca 0.30 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.39 1yak h GLU 127 Cb 0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.29 1yak h GLU 127 CO -0.08 0.65 -1.08 0.82 -1.00 0.00 0.00 179.01 178.31 1yak h ILE 128 N 0.00 1.29 -0.52 3.13 2.04 -0.76 -3.10 117.51 119.60 1yak h ILE 128 Ca -0.01 -2.32 -0.10 0.00 1.00 0.00 0.00 64.86 63.43 1yak h ILE 128 Cb 1.22 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.74 1yak h ILE 128 CO 0.08 0.71 -0.06 0.25 0.00 0.00 0.00 178.15 179.14 1yak h LEU 129 N 0.35 0.92 -2.28 1.44 5.85 -0.86 -2.23 115.31 118.51 1yak h LEU 129 Ca -0.14 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1yak h LEU 129 Cb 1.74 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 1yak h LEU 129 CO 0.21 1.01 -0.03 0.00 -0.34 0.00 0.00 178.44 179.30 1yak h ALA 130 N 1.07 1.09 0.00 1.25 0.00 -1.27 -0.18 119.26 121.22 1yak h ALA 130 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1yak h ALA 130 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1yak h ALA 130 CO 0.04 0.03 -1.20 0.00 0.00 0.00 0.00 179.25 178.12 1yak h ALA 131 N 1.97 0.62 0.00 0.00 0.00 -1.33 -2.93 119.26 117.59 1yak h ALA 131 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1yak h ALA 131 Cb 0.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1yak h ALA 131 CO 0.00 0.63 -0.81 1.28 0.00 0.00 0.00 179.25 180.35 1yak n LEU 132 N -2.86 0.67 0.08 0.00 4.77 -0.69 -4.55 117.00 114.42 1yak n LEU 132 Ca -0.06 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1yak n LEU 132 Cb 0.75 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1yak n LEU 132 CO 0.42 -0.03 0.82 0.25 -1.33 0.00 0.00 177.39 177.52 1yak h LEU 133 N 0.00 -0.10 -1.46 2.23 5.85 -1.18 -2.74 115.31 117.92 1yak h LEU 133 Ca 0.00 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1yak h LEU 133 Cb 0.76 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1yak h LEU 133 CO 0.00 -0.03 0.42 -0.65 -0.34 0.00 0.00 178.44 177.84 1yak h PRO 134 N -0.16 0.66 -0.90 5.25 0.11 -1.81 -0.15 132.00 135.00 1yak h PRO 134 Ca -0.01 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 66.28 1yak h PRO 134 Cb 0.13 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 30.97 1yak h PRO 134 CO 0.02 0.43 0.42 0.00 -0.21 0.00 0.00 178.00 178.66 1yak h TYR 136 N 0.43 -0.10 -0.58 0.00 0.05 -1.02 -3.35 116.97 112.41 1yak h TYR 136 Ca 0.56 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.37 1yak h TYR 136 Cb 1.05 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.78 1yak h TYR 136 CO -0.12 -0.06 0.35 2.35 -1.05 0.00 0.00 178.16 179.63 1yak h TRP 137 N -0.44 0.65 -0.56 4.88 7.01 -1.01 -2.23 115.95 124.24 1yak h TRP 137 Ca -0.01 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 1yak h TRP 137 Cb 0.08 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 1yak h TRP 137 CO 0.02 0.36 0.03 1.25 -2.79 0.00 0.00 178.44 177.32 1yak h LEU 138 N 0.68 0.92 -0.95 0.65 6.46 -0.30 -1.40 115.31 121.36 1yak h LEU 138 Ca 0.24 -0.23 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1yak h LEU 138 Cb 0.04 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1yak h LEU 138 CO -0.11 0.96 -0.31 1.88 -0.62 0.00 0.00 178.44 180.24 1yak h TYR 139 N 0.88 0.44 -0.10 1.25 -1.99 -1.62 -1.52 116.97 114.31 1yak h TYR 139 Ca 0.17 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1yak h TYR 139 Cb 0.48 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1yak h TYR 139 CO 0.03 0.66 0.01 -0.92 -0.00 0.00 0.00 178.16 177.94 1yak h TYR 140 N 0.34 0.18 -0.33 4.88 3.20 -1.00 -1.17 116.97 123.07 1yak h TYR 140 Ca 0.04 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1yak h TYR 140 Cb 0.71 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1yak h TYR 140 CO 0.02 0.38 0.04 0.93 -1.64 0.00 0.00 178.16 177.89 1yak h GLU 141 N -0.07 0.48 0.18 1.82 5.08 -1.01 0.30 114.58 121.36 1yak h GLU 141 Ca 0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1yak h GLU 141 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1yak h GLU 141 CO 0.00 0.48 -0.09 0.28 -1.00 0.00 0.00 179.01 178.69 1yak h VAL 142 N 0.47 0.92 -0.98 3.13 2.07 -1.19 -2.36 116.25 118.31 1yak h VAL 142 Ca 0.11 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1yak h VAL 142 Cb 0.25 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1yak h VAL 142 CO 0.00 0.17 0.63 1.23 0.02 0.00 0.00 177.57 179.62 1yak h GLY 143 N -0.64 1.48 0.81 2.17 0.00 -0.87 -1.95 103.07 104.08 1yak h GLY 143 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1yak h GLY 143 CO 0.04 0.31 -0.10 -2.09 0.00 0.00 0.00 176.54 174.70 1yak h GLU 144 N 1.12 -0.18 0.00 4.80 4.81 -0.36 -1.77 114.58 123.00 1yak h GLU 144 Ca 0.43 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1yak h GLU 144 Cb 0.21 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1yak h GLU 144 CO -0.18 -0.12 0.00 0.87 -0.73 0.00 0.00 179.01 178.86 1yak h LYS 145 N -0.19 0.00 -0.01 1.92 1.57 -0.83 -2.72 116.57 116.31 1yak h LYS 145 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yak h LYS 145 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1yak h LYS 145 CO -0.07 0.00 -0.51 1.28 -0.57 0.00 0.00 179.45 179.58 1yak n LEU 146 N -2.91 1.79 -0.34 2.94 4.77 -0.79 -4.54 117.00 117.90 1yak n LEU 146 Ca -0.01 -0.66 0.18 0.00 -0.03 0.00 0.00 56.01 55.49 1yak n LEU 146 Cb 0.17 -0.02 0.40 0.00 -2.33 0.00 0.00 43.42 41.64 1yak n LEU 146 CO 0.22 0.34 1.16 -0.07 -1.33 0.00 0.00 177.39 177.71 1yak h LEU 147 N 2.00 0.66 -3.08 2.23 3.38 -1.01 0.15 115.31 119.64 1yak h LEU 147 Ca 0.00 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1yak h LEU 147 Cb 0.70 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1yak h LEU 147 CO 0.00 0.09 0.05 0.00 0.09 0.00 0.00 178.44 178.67 1yak n HIS 148 N -4.88 1.73 -2.37 1.13 1.44 -1.26 -4.91 115.22 106.09 1yak n HIS 148 Ca 0.27 -0.67 -0.25 0.00 -2.01 0.00 0.00 57.72 55.06 1yak n HIS 148 Cb 0.77 -0.47 0.11 0.00 0.12 0.00 0.00 29.99 30.52 1yak n HIS 148 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yak n ASP 150 N -3.01 -0.59 -0.08 0.00 4.64 -1.22 -5.02 116.55 111.26 1yak n ASP 150 Ca 0.13 -2.45 -0.07 0.00 -1.38 0.00 0.00 54.79 51.02 1yak n ASP 150 Cb 0.60 -0.41 -0.01 0.00 -1.04 0.00 0.00 41.12 40.26 1yak n ASP 150 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1yak h PRO 151 N 5.36 -0.21 0.00 -0.67 0.11 -1.71 -3.44 132.00 131.43 1yak h PRO 151 Ca 0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1yak h PRO 151 Cb 0.92 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1yak h PRO 151 CO 0.36 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.42 1yak n GLY 152 N -1.39 0.99 2.78 -0.55 0.00 -1.26 -3.60 105.19 102.16 1yak n GLY 152 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1yak n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yak s HIS 153 N -2.00 0.22 0.20 1.61 3.76 -1.26 -5.06 115.29 112.76 1yak s HIS 153 Ca 0.00 0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 1yak s HIS 153 Cb 0.00 -0.38 0.19 0.00 1.11 0.00 0.00 32.58 33.50 1yak s HIS 153 CO 0.00 -0.13 1.61 -1.35 -0.85 0.00 0.00 174.74 174.01 1yak h PRO 154 N 7.46 -0.08 -0.77 8.40 0.11 -1.99 -1.83 132.00 143.29 1yak h PRO 154 Ca -0.39 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.84 1yak h PRO 154 Cb 1.13 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1yak h PRO 154 CO 0.43 -0.05 0.39 0.97 -0.21 0.00 0.00 178.00 179.53 1yak h ILE 155 N -0.08 0.81 -0.32 4.15 2.10 -1.97 0.22 117.51 122.42 1yak h ILE 155 Ca 0.27 -0.21 -0.16 0.00 1.08 0.00 0.00 64.86 65.84 1yak h ILE 155 Cb 0.51 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 1yak h ILE 155 CO -0.66 0.11 -0.42 1.88 -1.08 0.00 0.00 178.15 177.98 1yak h TYR 156 N 0.62 0.97 -0.27 2.19 0.05 -1.72 -1.15 116.97 117.67 1yak h TYR 156 Ca 0.40 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1yak h TYR 156 Cb 0.47 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1yak h TYR 156 CO -0.10 1.08 0.17 1.96 -1.05 0.00 0.00 178.16 180.23 1yak h GLN 157 N 0.65 0.36 -0.51 4.88 4.20 -0.60 -0.02 115.11 124.06 1yak h GLN 157 Ca 0.05 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1yak h GLN 157 Cb 0.99 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1yak h GLN 157 CO 0.09 0.25 0.27 -0.22 -0.67 0.00 0.00 178.83 178.56 1yak h LYS 158 N 0.35 0.51 -0.35 1.46 1.63 -0.39 0.41 116.57 120.20 1yak h LYS 158 Ca 0.10 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1yak h LYS 158 Cb -0.02 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1yak h LYS 158 CO -0.02 0.34 0.21 2.35 -3.45 0.00 0.00 179.45 178.88 1yak h TRP 159 N 0.52 0.40 -0.57 1.91 7.01 -0.81 -1.13 115.95 123.28 1yak h TRP 159 Ca 0.22 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.16 1yak h TRP 159 Cb 0.12 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1yak h TRP 159 CO -0.09 0.24 0.07 0.82 -2.79 0.00 0.00 178.44 176.68 1yak h ILE 160 N 0.43 1.26 0.00 2.65 2.04 -0.21 -2.93 117.51 120.75 1yak h ILE 160 Ca 0.13 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1yak h ILE 160 Cb -0.01 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1yak h ILE 160 CO -0.05 0.37 -0.19 1.23 0.00 0.00 0.00 178.15 179.51 1yak h GLY 161 N 0.86 0.00 0.28 5.37 0.00 0.18 -1.24 103.07 108.52 1yak h GLY 161 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1yak h GLY 161 CO 0.02 0.00 -0.13 -0.84 0.00 0.00 0.00 176.54 175.58 1yak h THR 162 N 0.00 0.00 0.00 4.70 2.02 -1.06 -2.23 112.91 116.34 1yak h THR 162 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1yak h THR 162 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1yak h THR 162 CO 0.02 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 1yak n TYR 163 N -4.82 0.66 0.73 3.16 4.01 -1.12 -2.39 117.16 117.38 1yak n TYR 163 Ca -0.05 0.23 0.08 0.00 -0.16 0.00 0.00 57.90 58.00 1yak n TYR 163 Cb 0.15 -0.87 -0.10 0.00 -0.31 0.00 0.00 39.34 38.21 1yak n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yak n GLY 164 N 0.66 -0.68 3.21 2.72 0.00 -0.47 -4.16 105.19 106.46 1yak n GLY 164 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1yak n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yak n GLY 165 N 1.42 -3.61 0.12 -0.02 0.00 -0.84 -4.78 105.19 97.48 1yak n GLY 165 Ca 0.03 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 1yak n GLY 165 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1yak h ASP 166 N -3.47 0.32 -0.33 1.61 1.82 -1.86 -2.91 116.42 111.60 1yak h ASP 166 Ca -0.40 -0.60 0.07 0.00 -0.39 0.00 0.00 57.03 55.71 1yak h ASP 166 Cb 1.26 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 41.10 1yak h ASP 166 CO 0.25 1.53 -0.10 -0.25 -1.61 0.00 0.00 179.24 179.06 1yak h TRP 167 N 0.06 -0.21 -0.29 0.28 7.01 -1.93 -1.06 115.95 119.80 1yak h TRP 167 Ca -0.33 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.55 1yak h TRP 167 Cb 2.03 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 29.23 1yak h TRP 167 CO 0.06 -0.16 -0.41 0.35 -2.79 0.00 0.00 178.44 175.49 1yak h PHE 168 N -0.02 0.84 -0.72 2.65 3.57 -1.78 -2.96 116.94 118.51 1yak h PHE 168 Ca 0.16 -0.25 0.12 0.00 3.53 0.00 0.00 57.97 61.53 1yak h PHE 168 Cb 0.27 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 1yak h PHE 168 CO -0.32 0.99 0.31 -0.09 -2.23 0.00 0.00 178.31 176.97 1yak h ARG 169 N 0.57 0.47 -0.31 1.11 1.12 -1.10 0.16 114.38 116.40 1yak h ARG 169 Ca 0.05 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.82 1yak h ARG 169 Cb 0.94 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1yak h ARG 169 CO 0.09 0.31 -0.06 1.96 -3.11 0.00 0.00 179.97 179.16 1yak h GLN 170 N 0.49 0.59 -0.41 0.20 4.20 -1.13 -1.89 115.11 117.16 1yak h GLN 170 Ca 0.38 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.94 1yak h GLN 170 Cb 0.52 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1yak h GLN 170 CO -0.35 0.77 0.08 1.96 -0.67 0.00 0.00 178.83 180.62 1yak h GLN 171 N 0.37 0.20 -0.40 1.46 1.08 -1.15 -0.19 115.11 116.48 1yak h GLN 171 Ca 0.08 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1yak h GLN 171 Cb 0.54 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1yak h GLN 171 CO 0.03 0.13 0.25 0.28 -0.95 0.00 0.00 178.83 178.58 1yak h VAL 172 N 0.21 1.11 -0.78 -0.54 2.07 -0.89 -2.25 116.25 115.18 1yak h VAL 172 Ca 0.20 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1yak h VAL 172 Cb 0.24 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1yak h VAL 172 CO -0.26 0.11 0.33 -0.33 0.02 0.00 0.00 177.57 177.43 1yak h GLU 173 N 0.53 1.16 -0.29 1.57 5.08 -0.73 0.40 114.58 122.31 1yak h GLU 173 Ca 0.14 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1yak h GLU 173 Cb -0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1yak h GLU 173 CO -0.03 0.93 0.17 1.49 -1.00 0.00 0.00 179.01 180.57 1yak h GLU 174 N 1.12 0.39 -0.22 2.33 4.81 -0.87 -1.11 114.58 121.04 1yak h GLU 174 Ca 0.26 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1yak h GLU 174 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1yak h GLU 174 CO -0.02 0.32 -0.06 1.96 -0.73 0.00 0.00 179.01 180.47 1yak h GLN 175 N 0.36 0.34 -0.27 1.92 1.08 -1.10 -1.45 115.11 115.99 1yak h GLN 175 Ca 0.10 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1yak h GLN 175 Cb 0.03 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1yak h GLN 175 CO -0.02 0.41 -0.26 0.82 -0.95 0.00 0.00 178.83 178.84 1yak h ILE 176 N 0.32 1.31 -0.43 2.54 2.04 -0.44 -2.32 117.51 120.54 1yak h ILE 176 Ca 0.07 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1yak h ILE 176 Cb 0.31 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1yak h ILE 176 CO 0.01 0.45 0.10 0.78 0.00 0.00 0.00 178.15 179.49 1yak h ASN 177 N 0.37 0.65 -0.99 1.72 2.35 -0.97 -2.28 115.58 116.44 1yak h ASN 177 Ca 0.04 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1yak h ASN 177 Cb 0.82 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.95 1yak h ASN 177 CO 0.06 0.72 0.65 -0.09 -1.65 0.00 0.00 177.43 177.12 1yak h ARG 178 N 0.56 1.19 -0.14 0.81 2.43 -1.26 -1.02 114.38 116.96 1yak h ARG 178 Ca 0.13 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1yak h ARG 178 Cb 0.33 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1yak h ARG 178 CO 0.00 0.79 0.02 0.35 -1.51 0.00 0.00 179.97 179.62 1yak h PHE 179 N 1.23 0.02 0.00 2.20 3.57 -0.99 -1.35 116.94 121.62 1yak h PHE 179 Ca 0.40 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 1yak h PHE 179 Cb 0.04 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1yak h PHE 179 CO -0.00 0.00 -0.39 -0.44 -2.23 0.00 0.00 178.31 175.25 1yak h ASP 180 N 0.07 0.00 -0.03 0.41 3.32 -1.05 -0.49 116.42 118.66 1yak h ASP 180 Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1yak h ASP 180 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1yak h ASP 180 CO -0.09 0.39 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.73 1yak h GLU 181 N 0.00 0.06 -0.48 3.56 4.81 -0.82 -1.75 114.58 119.95 1yak h GLU 181 Ca -0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1yak h GLU 181 Cb 0.84 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1yak h GLU 181 CO 0.05 0.44 0.12 -0.07 -0.73 0.00 0.00 179.01 178.81 1yak h LEU 182 N -0.33 0.73 -1.09 1.64 3.38 -1.14 -2.84 115.31 115.67 1yak h LEU 182 Ca 0.01 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1yak h LEU 182 Cb 0.42 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1yak h LEU 182 CO 0.00 0.77 0.62 0.00 0.09 0.00 0.00 178.44 179.92 1yak h ALA 183 N 0.98 1.46 -0.18 1.53 0.00 -1.05 -1.61 119.26 120.40 1yak h ALA 183 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1yak h ALA 183 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1yak h ALA 183 CO 0.00 0.40 -0.10 0.93 0.00 0.00 0.00 179.25 180.49 1yak h GLU 184 N 1.10 0.28 -0.47 0.00 5.08 -1.07 -2.94 114.58 116.55 1yak h GLU 184 Ca 0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1yak h GLU 184 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1yak h GLU 184 CO -0.16 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1yak n ASN 185 N -4.29 4.48 -4.80 1.42 3.02 -0.70 -4.99 115.26 109.40 1yak n ASN 185 Ca -0.00 -2.67 -0.24 0.00 -0.03 0.00 0.00 54.58 51.63 1yak n ASN 185 Cb 0.25 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 1yak n ASN 185 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yak s SER 186 N -1.21 5.47 0.79 6.41 0.01 -0.69 -5.07 113.70 119.41 1yak s SER 186 Ca 0.46 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 1yak s SER 186 Cb 0.33 -1.40 0.06 0.00 0.21 0.00 0.00 66.02 65.23 1yak s SER 186 CO 0.17 0.02 1.09 0.42 0.41 0.00 0.00 173.24 175.34 1yak s THR 187 N -1.94 3.29 0.28 1.44 -4.23 -1.26 -4.74 115.64 108.48 1yak s THR 187 Ca 0.32 0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 61.23 1yak s THR 187 Cb -0.09 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.05 1yak s THR 187 CO 0.24 -0.55 1.91 -0.33 -0.54 0.00 0.00 174.62 175.35 1yak h GLU 188 N -1.14 1.09 0.18 3.99 4.39 -1.98 0.29 114.58 121.40 1yak h GLU 188 Ca -0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1yak h GLU 188 Cb 1.24 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1yak h GLU 188 CO 0.54 0.72 -0.09 1.49 -1.16 0.00 0.00 179.01 180.52 1yak h GLU 189 N 1.13 -0.23 -0.46 2.33 4.81 -2.00 -0.54 114.58 119.61 1yak h GLU 189 Ca 0.40 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1yak h GLU 189 Cb 0.13 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1yak h GLU 189 CO -0.14 -0.14 0.30 0.28 -0.73 0.00 0.00 179.01 178.57 1yak h VAL 190 N -0.25 1.11 -0.81 0.32 2.07 -1.66 -1.38 116.25 115.65 1yak h VAL 190 Ca -0.02 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1yak h VAL 190 Cb 0.20 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1yak h VAL 190 CO 0.04 0.11 0.50 0.03 0.02 0.00 0.00 177.57 178.27 1yak h ARG 191 N 0.62 0.91 -0.70 1.57 3.08 -0.23 0.15 114.38 119.77 1yak h ARG 191 Ca 0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1yak h ARG 191 Cb -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1yak h ARG 191 CO -0.04 0.60 0.45 0.00 -1.07 0.00 0.00 179.97 179.91 1yak h ALA 192 N 1.37 0.89 -0.42 0.04 0.00 -0.49 -1.22 119.26 119.43 1yak h ALA 192 Ca 0.34 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1yak h ALA 192 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1yak h ALA 192 CO -0.15 0.33 0.02 -0.22 0.00 0.00 0.00 179.25 179.23 1yak h LYS 193 N 0.96 0.66 -0.02 0.00 3.11 -0.07 -1.07 116.57 120.13 1yak h LYS 193 Ca 0.26 -0.15 -0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1yak h LYS 193 Cb -0.09 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.05 1yak h LYS 193 CO -0.05 0.66 0.01 0.52 -2.81 0.00 0.00 179.45 177.77 1yak h MET 194 N 0.62 0.04 -0.65 1.90 2.86 -0.01 -1.79 114.93 117.91 1yak h MET 194 Ca 0.13 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1yak h MET 194 Cb 0.36 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1yak h MET 194 CO 0.01 0.22 0.37 -0.22 1.06 0.00 0.00 176.91 178.35 1yak h LYS 195 N -0.15 0.69 -0.01 1.72 3.64 -0.98 0.52 116.57 121.99 1yak h LYS 195 Ca 0.01 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1yak h LYS 195 Cb 0.20 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1yak h LYS 195 CO -0.00 0.46 -0.05 1.49 -2.27 0.00 0.00 179.45 179.08 1yak h GLU 196 N 0.71 -0.08 -0.74 1.90 4.81 -1.03 0.10 114.58 120.26 1yak h GLU 196 Ca 0.28 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1yak h GLU 196 Cb 0.11 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1yak h GLU 196 CO -0.15 -0.05 0.46 -0.91 -0.73 0.00 0.00 179.01 177.63 1yak h ASN 197 N -0.08 0.87 -0.41 1.04 -0.26 -0.79 0.11 115.58 116.07 1yak h ASN 197 Ca 0.03 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1yak h ASN 197 Cb 0.12 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1yak h ASN 197 CO -0.06 0.66 0.14 0.15 -1.06 0.00 0.00 177.43 177.25 1yak h PHE 198 N 1.00 0.64 -0.44 1.19 3.04 -0.58 -0.85 116.94 120.94 1yak h PHE 198 Ca 0.27 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 1yak h PHE 198 Cb -0.07 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 1yak h PHE 198 CO -0.01 0.59 -0.02 0.28 -2.02 0.00 0.00 178.31 177.12 1yak h VAL 199 N 0.51 1.26 -0.46 1.41 2.07 -0.76 -1.76 116.25 118.52 1yak h VAL 199 Ca 0.13 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1yak h VAL 199 Cb 0.24 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1yak h VAL 199 CO -0.01 0.37 0.26 0.40 0.02 0.00 0.00 177.57 178.61 1yak h ILE 200 N 0.64 1.16 -0.59 4.57 2.04 -0.82 -0.33 117.51 124.17 1yak h ILE 200 Ca 0.12 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1yak h ILE 200 Cb 0.52 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1yak h ILE 200 CO 0.03 0.16 0.17 0.28 0.00 0.00 0.00 178.15 178.79 1yak h SER 201 N 0.60 0.84 -0.35 1.72 0.02 -1.10 0.00 113.55 115.28 1yak h SER 201 Ca 0.16 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1yak h SER 201 Cb 0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1yak h SER 201 CO -0.03 0.81 0.18 0.28 -1.14 0.00 0.00 176.83 176.93 1yak h SER 202 N 0.88 0.27 -0.12 3.07 0.02 -0.62 0.75 113.55 117.80 1yak h SER 202 Ca 0.19 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1yak h SER 202 Cb 0.28 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1yak h SER 202 CO -0.01 0.20 -0.06 0.22 -1.14 0.00 0.00 176.83 176.04 1yak h TYR 203 N 0.37 -0.14 -0.35 3.45 3.20 -0.30 -1.79 116.97 121.43 1yak h TYR 203 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1yak h TYR 203 Cb 0.05 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1yak h TYR 203 CO -0.09 -0.10 0.23 1.88 -1.64 0.00 0.00 178.16 178.44 1yak h TYR 204 N -0.05 0.44 -0.45 -3.82 0.05 -0.34 -1.32 116.97 111.47 1yak h TYR 204 Ca 0.07 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1yak h TYR 204 Cb 0.15 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1yak h TYR 204 CO -0.19 0.28 0.20 0.93 -1.05 0.00 0.00 178.16 178.33 1yak h GLU 205 N 0.47 0.67 -0.58 4.88 4.39 -0.17 0.50 114.58 124.73 1yak h GLU 205 Ca 0.13 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1yak h GLU 205 Cb -0.05 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 1yak h GLU 205 CO -0.03 0.59 0.32 -0.92 -1.16 0.00 0.00 179.01 177.82 1yak h TYR 206 N 0.59 0.60 -0.52 4.33 3.20 -0.47 -2.22 116.97 122.47 1yak h TYR 206 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1yak h TYR 206 Cb 0.16 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1yak h TYR 206 CO -0.00 0.31 0.08 1.96 -1.64 0.00 0.00 178.16 178.87 1yak h GLN 207 N 0.62 0.83 -0.64 1.82 1.08 -0.88 -2.89 115.11 115.05 1yak h GLN 207 Ca 0.25 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 1yak h GLN 207 Cb 0.11 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1yak h GLN 207 CO -0.15 0.78 0.37 0.35 -0.95 0.00 0.00 178.83 179.23 1yak h PHE 208 N 0.79 0.68 -0.28 2.96 3.04 -0.29 0.45 116.94 124.29 1yak h PHE 208 Ca 0.17 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.17 1yak h PHE 208 Cb 0.36 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1yak h PHE 208 CO 0.02 0.35 0.08 -1.49 -2.02 0.00 0.00 178.31 175.25 1yak h TRP 209 N 0.70 0.15 -0.63 0.41 -0.00 -1.29 -1.51 115.95 113.78 1yak h TRP 209 Ca 0.28 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.16 1yak h TRP 209 Cb 0.12 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 29.23 1yak h TRP 209 CO -0.07 0.06 0.30 0.78 -0.00 0.00 0.00 178.44 179.51 1yak h GLY 210 N 0.20 0.98 0.65 1.49 0.00 -1.18 -1.53 103.07 103.69 1yak h GLY 210 Ca 0.12 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 47.04 1yak h GLY 210 CO -0.14 0.47 0.63 1.98 0.00 0.00 0.00 176.54 179.48 1yak h MET 211 N 0.87 1.06 -0.01 4.80 1.85 0.21 -2.12 114.93 121.60 1yak h MET 211 Ca 0.22 -0.06 -0.19 0.00 -0.61 0.00 0.00 59.70 59.06 1yak h MET 211 Cb 0.13 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 1yak h MET 211 CO -0.03 0.70 -0.82 0.00 -0.40 0.00 0.00 176.91 176.37 1yak h ALA 212 N 1.47 0.59 -0.21 0.39 0.00 -0.87 -1.33 119.26 119.29 1yak h ALA 212 Ca 0.44 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1yak h ALA 212 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1yak h ALA 212 CO -0.20 0.88 -0.23 -0.92 0.00 0.00 0.00 179.25 178.78 1yak h TYR 213 N 0.12 0.43 -0.02 0.00 3.20 -0.64 -2.94 116.97 117.12 1yak h TYR 213 Ca -0.04 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1yak h TYR 213 Cb 1.42 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.58 1yak h TYR 213 CO 0.03 0.60 -0.33 0.54 -1.64 0.00 0.00 178.16 177.35 1yak n ARG 214 N -4.15 1.38 -3.79 1.82 1.74 -0.95 -4.95 116.66 107.76 1yak n ARG 214 Ca -0.00 -1.09 -0.28 0.00 -0.77 0.00 0.00 57.85 55.71 1yak n ARG 214 Cb 0.37 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.38 1yak n ARG 214 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1yak n LYS 215 N 0.14 -6.50 -1.36 5.56 5.02 -0.83 -4.83 118.16 115.35 1yak n LYS 215 Ca 0.11 0.69 -0.46 0.00 -2.02 0.00 0.00 58.31 56.63 1yak n LYS 215 Cb 0.47 -5.64 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 1yak n LYS 215 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1yak n GLU 216 N -4.80 0.00 -4.34 1.97 2.13 -0.57 -5.03 120.64 109.99 1yak n GLU 216 Ca 0.02 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.61 1yak n GLU 216 Cb 0.54 -0.99 -0.07 0.00 0.27 0.00 0.00 31.44 31.19 1yak n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yak n GLY 217 N 2.03 3.14 0.08 8.31 0.00 -1.26 -4.80 105.19 112.68 1yak n GLY 217 Ca 0.17 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1yak n GLY 217 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1yak h TRP 218 N 1.79 0.15 0.00 1.61 4.06 -1.96 -3.32 115.95 118.28 1yak h TRP 218 Ca -0.29 -0.11 -0.06 0.00 2.06 0.00 0.00 58.89 60.49 1yak h TRP 218 Cb 1.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1yak h TRP 218 CO 0.00 1.11 -0.27 0.77 -3.56 0.00 0.00 178.44 176.49 1yak h SER 219 N 0.02 0.00 0.00 -3.49 0.02 -2.03 -3.51 113.55 104.57 1yak h SER 219 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1yak h SER 219 Cb 1.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1yak h SER 219 CO 0.14 0.27 0.00 0.47 -1.14 0.00 0.00 176.83 176.57