#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9i n GLN 7 N 0.00 -4.25 -1.05 1.64 6.02 -1.26 -5.00 117.38 113.48 1y9i n GLN 7 Ca 0.00 3.19 -0.29 0.00 -0.01 0.00 0.00 57.00 59.89 1y9i n GLN 7 Cb 0.00 -4.20 0.21 0.00 1.02 0.00 0.00 30.24 27.27 1y9i n GLN 7 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1y9i s SER 8 N -0.52 1.79 0.27 1.08 1.04 -1.26 -4.77 113.70 111.32 1y9i s SER 8 Ca -0.08 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 1y9i s SER 8 Cb 0.01 -1.61 0.36 0.00 0.10 0.00 0.00 66.02 64.88 1y9i s SER 8 CO 0.22 -3.63 1.81 0.00 0.98 0.00 0.00 173.24 172.61 1y9i h ALA 9 N -2.24 1.17 0.08 5.32 0.00 -1.99 -1.53 119.26 120.08 1y9i h ALA 9 Ca -0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 1y9i h ALA 9 Cb 1.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1y9i h ALA 9 CO 0.50 0.56 -0.05 1.25 0.00 0.00 0.00 179.25 181.51 1y9i h LEU 10 N 0.82 -0.13 -0.63 0.00 5.85 -2.00 -1.31 115.31 117.92 1y9i h LEU 10 Ca 0.18 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1y9i h LEU 10 Cb 0.32 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1y9i h LEU 10 CO 0.00 -0.09 0.14 -0.08 -0.34 0.00 0.00 178.44 178.08 1y9i h GLU 11 N -0.13 1.02 -0.62 1.25 4.81 -1.86 -1.73 114.58 117.32 1y9i h GLU 11 Ca -0.01 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1y9i h GLU 11 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1y9i h GLU 11 CO 0.01 0.93 0.37 0.77 -0.73 0.00 0.00 179.01 180.35 1y9i h SER 12 N 0.93 0.75 -0.31 1.04 0.02 -1.12 -1.10 113.55 113.76 1y9i h SER 12 Ca 0.20 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1y9i h SER 12 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1y9i h SER 12 CO 0.00 0.60 -0.29 0.50 -1.14 0.00 0.00 176.83 176.51 1y9i h LYS 13 N 0.84 0.75 -0.16 3.45 1.63 -1.15 -0.22 116.57 121.71 1y9i h LYS 13 Ca 0.22 -0.39 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1y9i h LYS 13 Cb -0.01 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1y9i h LYS 13 CO -0.04 1.01 -0.08 0.00 -3.45 0.00 0.00 179.45 176.89 1y9i h ALA 14 N 0.73 0.05 0.09 5.00 0.00 -1.08 0.40 119.26 124.44 1y9i h ALA 14 Ca 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1y9i h ALA 14 Cb 0.86 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1y9i h ALA 14 CO 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 179.25 178.76 1y9i h ARG 15 N -0.07 -0.11 -0.70 0.00 3.08 -1.15 -2.23 114.38 113.21 1y9i h ARG 15 Ca 0.09 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1y9i h ARG 15 Cb 0.20 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1y9i h ARG 15 CO -0.20 0.02 0.35 0.66 -1.07 0.00 0.00 179.97 179.72 1y9i h SER 16 N -0.22 0.88 -0.01 7.04 4.64 -0.72 -2.68 113.55 122.49 1y9i h SER 16 Ca -0.01 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 1y9i h SER 16 Cb 0.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1y9i h SER 16 CO 0.02 0.74 -0.34 -0.25 -0.87 0.00 0.00 176.83 176.13 1y9i h TRP 17 N 0.98 0.56 -0.59 4.77 2.91 -0.10 0.20 115.95 124.68 1y9i h TRP 17 Ca 0.24 -0.14 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 1y9i h TRP 17 Cb 0.08 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 1y9i h TRP 17 CO 0.01 0.77 0.31 -0.07 -1.03 0.00 0.00 178.44 178.43 1y9i h LEU 18 N 0.41 0.75 -0.46 0.65 3.38 -1.08 -0.95 115.31 118.02 1y9i h LEU 18 Ca 0.05 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1y9i h LEU 18 Cb 0.80 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1y9i h LEU 18 CO 0.06 0.64 -0.08 0.40 0.09 0.00 0.00 178.44 179.56 1y9i h ILE 19 N 0.80 1.27 -0.04 1.22 2.04 -1.25 -0.52 117.51 121.02 1y9i h ILE 19 Ca 0.21 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1y9i h ILE 19 Cb 0.07 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1y9i h ILE 19 CO -0.03 0.41 -0.04 -0.08 0.00 0.00 0.00 178.15 178.41 1y9i h GLU 20 N 0.70 0.06 -0.01 2.37 4.81 -0.56 -1.35 114.58 120.60 1y9i h GLU 20 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1y9i h GLU 20 Cb 0.61 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1y9i h GLU 20 CO 0.04 0.11 -0.07 0.54 -0.73 0.00 0.00 179.01 178.90 1y9i n ARG 21 N -4.45 1.12 0.00 1.92 5.12 -0.40 -4.92 116.66 115.05 1y9i n ARG 21 Ca -0.02 -0.49 0.00 0.00 -1.93 0.00 0.00 57.85 55.41 1y9i n ARG 21 Cb 0.14 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1y9i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y9i n GLY 22 N 1.19 1.10 3.17 -0.13 0.00 -0.51 -5.08 105.19 104.93 1y9i n GLY 22 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1y9i n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y9i s VAL 23 N -2.00 2.42 0.21 1.61 1.01 -0.23 -5.00 120.40 118.41 1y9i s VAL 23 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1y9i s VAL 23 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1y9i s VAL 23 CO 0.00 0.51 0.34 -1.61 0.00 0.00 0.00 175.10 174.34 1y9i s GLU 24 N 1.32 3.45 0.22 2.72 0.41 -1.26 -3.07 118.70 122.48 1y9i s GLU 24 Ca 0.05 -0.65 -0.07 0.00 -0.41 0.00 0.00 54.97 53.88 1y9i s GLU 24 Cb -0.13 -2.90 0.32 0.00 -1.78 0.00 0.00 34.13 29.63 1y9i s GLU 24 CO -0.10 0.45 1.78 0.82 -0.49 0.00 0.00 175.26 177.72 1y9i h ILE 25 N 1.34 0.86 -0.01 -1.63 1.08 -1.98 -0.95 117.51 116.21 1y9i h ILE 25 Ca -0.50 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1y9i h ILE 25 Cb 1.21 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1y9i h ILE 25 CO 0.64 0.11 -0.08 0.44 -0.69 0.00 0.00 178.15 178.57 1y9i h ASP 26 N 0.59 0.02 -0.69 1.72 5.19 -1.97 -0.58 116.42 120.70 1y9i h ASP 26 Ca 0.34 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1y9i h ASP 26 Cb 0.34 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1y9i h ASP 26 CO -0.26 0.10 0.31 0.44 -3.12 0.00 0.00 179.24 176.71 1y9i h ASP 27 N 0.02 0.92 -0.03 6.45 3.32 -1.57 -1.13 116.42 124.41 1y9i h ASP 27 Ca 0.00 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 56.70 1y9i h ASP 27 Cb 0.15 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1y9i h ASP 27 CO 0.01 0.81 -0.73 0.40 -1.72 0.00 0.00 179.24 178.02 1y9i h ILE 28 N 0.97 1.31 -0.48 0.35 2.04 -1.20 -3.00 117.51 117.49 1y9i h ILE 28 Ca 0.23 -1.99 0.03 0.00 1.00 0.00 0.00 64.86 64.13 1y9i h ILE 28 Cb 0.16 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1y9i h ILE 28 CO -0.03 0.62 0.32 0.00 0.00 0.00 0.00 178.15 179.07 1y9i h ALA 29 N 0.71 1.75 -0.42 1.87 0.00 -0.80 -0.63 119.26 121.75 1y9i h ALA 29 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1y9i h ALA 29 Cb 1.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1y9i h ALA 29 CO 0.14 0.20 0.00 0.93 0.00 0.00 0.00 179.25 180.52 1y9i h GLU 30 N 0.56 0.67 -0.33 0.00 5.08 -1.07 -1.58 114.58 117.90 1y9i h GLU 30 Ca 0.19 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1y9i h GLU 30 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1y9i h GLU 30 CO -0.05 0.68 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.23 1y9i h LEU 31 N 0.63 0.78 -0.41 1.33 3.38 -1.08 -1.43 115.31 118.49 1y9i h LEU 31 Ca 0.13 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1y9i h LEU 31 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1y9i h LEU 31 CO 0.01 1.05 0.13 0.58 0.09 0.00 0.00 178.44 180.31 1y9i h VAL 32 N 0.62 1.22 -0.69 1.22 2.07 -0.97 -1.61 116.25 118.11 1y9i h VAL 32 Ca 0.06 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1y9i h VAL 32 Cb 0.88 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1y9i h VAL 32 CO 0.08 0.25 0.43 0.25 0.02 0.00 0.00 177.57 178.60 1y9i h LEU 33 N 0.53 0.82 -1.01 2.57 5.85 -1.17 0.13 115.31 123.01 1y9i h LEU 33 Ca 0.13 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.91 1y9i h LEU 33 Cb 0.26 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1y9i h LEU 33 CO -0.00 0.62 0.64 0.15 -0.34 0.00 0.00 178.44 179.51 1y9i h PHE 34 N 0.94 1.16 0.07 1.25 3.57 -0.85 -0.28 116.94 122.79 1y9i h PHE 34 Ca 0.25 0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.52 1y9i h PHE 34 Cb -0.06 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 1y9i h PHE 34 CO -0.02 0.49 -1.31 -0.07 -2.23 0.00 0.00 178.31 175.18 1y9i h LEU 35 N 1.04 0.22 0.00 0.59 3.38 -0.47 -3.42 115.31 116.66 1y9i h LEU 35 Ca 0.48 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1y9i h LEU 35 Cb 0.41 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1y9i h LEU 35 CO -0.24 1.22 -1.81 0.00 0.09 0.00 0.00 178.44 177.71 1y9i n GLN 36 N -3.39 1.07 0.04 1.13 1.13 -0.05 -4.57 117.38 112.75 1y9i n GLN 36 Ca -0.09 -0.07 0.07 0.00 -1.94 0.00 0.00 57.00 54.97 1y9i n GLN 36 Cb 1.01 -1.35 0.50 0.00 0.11 0.00 0.00 30.24 30.50 1y9i n GLN 36 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1y9i h GLN 37 N 0.00 0.36 0.00 -1.09 4.15 -1.25 0.08 115.11 117.37 1y9i h GLN 37 Ca -0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1y9i h GLN 37 Cb 1.24 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1y9i h GLN 37 CO 0.01 0.24 0.00 1.63 -1.93 0.00 0.00 178.83 178.78 1y9i n LYS 38 N -4.48 0.11 -0.05 1.69 4.76 -1.26 -2.66 118.16 116.27 1y9i n LYS 38 Ca 0.03 0.44 -0.03 0.00 -2.87 0.00 0.00 58.31 55.89 1y9i n LYS 38 Cb 0.16 -1.76 -0.09 0.00 -1.84 0.00 0.00 35.03 31.50 1y9i n LYS 38 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1y9i n TYR 39 N -1.97 0.00 -3.61 2.13 4.02 -0.07 -4.83 117.16 112.83 1y9i n TYR 39 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.62 1y9i n TYR 39 Cb 0.14 -0.51 -0.11 0.00 -0.02 0.00 0.00 39.34 38.84 1y9i n TYR 39 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1y9i s HIS 40 N -2.43 1.94 0.33 -0.72 3.76 -0.71 -5.11 115.29 112.34 1y9i s HIS 40 Ca -0.06 -2.58 -0.28 0.00 -0.15 0.00 0.00 55.06 52.00 1y9i s HIS 40 Cb 0.05 -1.62 -0.13 0.00 1.11 0.00 0.00 32.58 31.99 1y9i s HIS 40 CO 0.50 -0.74 1.22 -2.30 -0.85 0.00 0.00 174.74 172.57 1y9i n PRO 41 N 2.83 1.93 0.00 8.40 -0.02 -1.19 -2.30 135.00 144.65 1y9i n PRO 41 Ca 0.21 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1y9i n PRO 41 Cb 0.41 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1y9i n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9i n GLY 42 N 0.89 0.35 3.71 -1.23 0.00 -1.26 -5.06 105.19 102.59 1y9i n GLY 42 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1y9i n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y9i s LEU 43 N 0.00 4.37 0.31 0.99 2.96 -0.97 -5.02 118.68 121.32 1y9i s LEU 43 Ca 0.00 2.42 0.09 0.00 -0.22 0.00 0.00 54.13 56.41 1y9i s LEU 43 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1y9i s LEU 43 CO 0.00 -0.72 0.10 -1.61 -1.32 0.00 0.00 176.35 172.81 1y9i s GLU 44 N 1.20 2.39 0.45 1.98 2.02 -1.26 -4.96 118.70 120.52 1y9i s GLU 44 Ca 0.67 -1.48 0.14 0.00 0.02 0.00 0.00 54.97 54.31 1y9i s GLU 44 Cb -0.39 -2.19 1.07 0.00 0.10 0.00 0.00 34.13 32.71 1y9i s GLU 44 CO 0.30 0.20 2.03 1.25 0.02 0.00 0.00 175.26 179.06 1y9i h LEU 45 N 1.64 0.30 -0.39 1.80 5.85 -1.95 -2.89 115.31 119.67 1y9i h LEU 45 Ca -0.44 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1y9i h LEU 45 Cb 1.25 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1y9i h LEU 45 CO 0.62 0.19 0.15 -2.24 -0.34 0.00 0.00 178.44 176.83 1y9i h ASP 46 N 0.34 0.19 -0.49 1.25 2.03 -1.97 0.43 116.42 118.19 1y9i h ASP 46 Ca 0.20 0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.45 1y9i h ASP 46 Cb 0.37 0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.86 1y9i h ASP 46 CO -0.05 0.14 -0.04 0.40 -1.03 0.00 0.00 179.24 178.67 1y9i h ILE 47 N 0.32 1.26 -0.47 4.15 1.08 -1.94 -1.37 117.51 120.54 1y9i h ILE 47 Ca 0.18 -1.14 -0.05 0.00 -0.39 0.00 0.00 64.86 63.46 1y9i h ILE 47 Cb 0.14 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1y9i h ILE 47 CO -0.16 0.40 0.10 0.00 -0.69 0.00 0.00 178.15 177.80 1y9i h ARG 49 N 0.65 0.87 -0.86 0.00 2.43 0.12 -2.17 114.38 115.41 1y9i h ARG 49 Ca 0.15 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1y9i h ARG 49 Cb 0.35 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1y9i h ARG 49 CO 0.00 0.57 0.57 1.96 -1.51 0.00 0.00 179.97 181.57 1y9i h GLN 50 N 0.89 1.11 -0.09 0.20 4.20 -0.99 -1.35 115.11 119.08 1y9i h GLN 50 Ca 0.26 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1y9i h GLN 50 Cb -0.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 1y9i h GLN 50 CO -0.08 0.73 -0.52 -0.91 -0.67 0.00 0.00 178.83 177.39 1y9i h ASN 51 N 1.14 0.27 -0.61 1.46 4.21 -1.09 -1.92 115.58 119.03 1y9i h ASN 51 Ca 0.33 -0.13 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 1y9i h ASN 51 Cb -0.09 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 1y9i h ASN 51 CO -0.09 0.74 0.18 0.58 -1.29 0.00 0.00 177.43 177.56 1y9i h VAL 52 N 0.19 1.25 -0.63 2.81 2.07 -0.86 -1.68 116.25 119.40 1y9i h VAL 52 Ca 0.01 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1y9i h VAL 52 Cb 0.98 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1y9i h VAL 52 CO 0.08 0.32 0.40 -0.33 0.02 0.00 0.00 177.57 178.06 1y9i h GLU 53 N 0.87 0.77 -0.72 1.57 4.39 -0.92 -1.17 114.58 119.37 1y9i h GLU 53 Ca 0.20 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1y9i h GLU 53 Cb 0.30 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1y9i h GLU 53 CO -0.00 0.51 0.40 0.45 -1.16 0.00 0.00 179.01 179.21 1y9i h HIS 54 N 0.79 0.99 -0.50 4.33 3.86 -1.00 -2.45 115.15 121.17 1y9i h HIS 54 Ca 0.25 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1y9i h HIS 54 Cb -0.01 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1y9i h HIS 54 CO -0.04 0.69 0.21 0.28 0.86 0.00 0.00 177.93 179.93 1y9i h VAL 55 N 1.00 1.20 0.00 2.45 2.07 -0.80 -2.63 116.25 119.54 1y9i h VAL 55 Ca 0.26 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1y9i h VAL 55 Cb 0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1y9i h VAL 55 CO -0.04 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.71 1y9i h LEU 56 N 0.66 0.00 -0.01 2.57 3.38 -0.91 -2.25 115.31 118.75 1y9i h LEU 56 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y9i h LEU 56 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1y9i h LEU 56 CO -0.02 0.00 -0.03 0.54 0.09 0.00 0.00 178.44 179.03 1y9i n ARG 57 N -2.54 0.18 -2.98 1.13 1.74 -0.95 -4.68 116.66 108.57 1y9i n ARG 57 Ca 0.01 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 1y9i n ARG 57 Cb 0.20 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 1y9i n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1y9i s LYS 58 N -2.83 4.46 0.24 5.56 1.02 -0.85 -4.97 119.74 122.37 1y9i s LYS 58 Ca 0.20 0.99 -0.06 0.00 0.02 0.00 0.00 55.97 57.12 1y9i s LYS 58 Cb 0.19 -3.45 0.34 0.00 -0.52 0.00 0.00 37.83 34.39 1y9i s LYS 58 CO 0.51 0.05 1.83 -0.09 -0.92 0.00 0.00 175.35 176.73 1y9i h ARG 59 N 6.73 0.83 -0.67 1.68 2.43 -1.89 -1.28 114.38 122.21 1y9i h ARG 59 Ca -0.41 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1y9i h ARG 59 Cb 1.20 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 1y9i h ARG 59 CO 0.75 0.55 0.35 0.93 -1.51 0.00 0.00 179.97 181.04 1y9i h GLU 60 N 0.85 0.62 -0.23 0.20 4.39 -1.95 0.49 114.58 118.95 1y9i h GLU 60 Ca 0.37 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 1y9i h GLU 60 Cb 0.24 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1y9i h GLU 60 CO -0.20 0.41 0.01 0.28 -1.16 0.00 0.00 179.01 178.35 1y9i h VAL 61 N 0.64 1.25 -0.45 3.13 2.07 -1.66 -2.73 116.25 118.50 1y9i h VAL 61 Ca 0.31 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1y9i h VAL 61 Cb 0.25 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1y9i h VAL 61 CO -0.22 0.27 0.28 1.56 0.02 0.00 0.00 177.57 179.49 1y9i h GLN 62 N 0.18 0.56 -0.77 1.57 4.20 -0.76 -0.83 115.11 119.26 1y9i h GLN 62 Ca 0.07 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1y9i h GLN 62 Cb 0.40 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1y9i h GLN 62 CO 0.01 0.37 0.47 -0.91 -0.67 0.00 0.00 178.83 178.10 1y9i h ASN 63 N 0.57 0.74 -0.44 1.46 2.35 -0.87 -1.74 115.58 117.65 1y9i h ASN 63 Ca 0.17 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 1y9i h ASN 63 Cb -0.03 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1y9i h ASN 63 CO -0.06 0.49 0.02 0.00 -1.65 0.00 0.00 177.43 176.23 1y9i h ALA 64 N 1.36 0.59 -0.33 -0.83 0.00 -1.13 -2.44 119.26 116.48 1y9i h ALA 64 Ca 0.33 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1y9i h ALA 64 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1y9i h ALA 64 CO -0.15 0.37 0.15 0.28 0.00 0.00 0.00 179.25 179.89 1y9i h VAL 65 N 0.61 0.96 -0.17 0.00 2.07 -0.68 -0.80 116.25 118.25 1y9i h VAL 65 Ca 0.13 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1y9i h VAL 65 Cb 0.46 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1y9i h VAL 65 CO 0.02 0.06 0.07 -0.07 0.02 0.00 0.00 177.57 177.67 1y9i h LEU 66 N 0.32 0.23 -0.36 2.57 4.07 -1.29 -2.03 115.31 118.82 1y9i h LEU 66 Ca 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1y9i h LEU 66 Cb 0.07 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1y9i h LEU 66 CO -0.11 0.33 0.17 0.74 -1.08 0.00 0.00 178.44 178.49 1y9i h THR 67 N 0.12 1.16 -0.12 0.22 2.02 -1.28 0.14 112.91 115.17 1y9i h THR 67 Ca 0.06 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1y9i h THR 67 Cb 0.17 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1y9i h THR 67 CO -0.00 0.17 -0.01 1.23 0.37 0.00 0.00 175.52 177.27 1y9i h GLY 68 N 0.44 0.23 1.25 2.16 0.00 -1.16 -2.41 103.07 103.58 1y9i h GLY 68 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 1y9i h GLY 68 CO -0.02 0.16 0.19 -2.22 0.00 0.00 0.00 176.54 174.66 1y9i h ILE 69 N -0.08 1.23 -0.77 2.60 2.04 -1.36 -1.35 117.51 119.82 1y9i h ILE 69 Ca 0.03 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1y9i h ILE 69 Cb 0.40 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1y9i h ILE 69 CO 0.01 0.31 0.46 -0.61 0.00 0.00 0.00 178.15 178.32 1y9i h GLN 70 N 0.91 0.81 -0.46 2.37 5.75 -0.86 0.36 115.11 123.99 1y9i h GLN 70 Ca 0.20 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.54 1y9i h GLN 70 Cb 0.26 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1y9i h GLN 70 CO -0.01 0.54 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.48 1y9i h LEU 71 N 0.84 0.93 -0.51 -2.39 3.38 -0.87 -3.06 115.31 113.62 1y9i h LEU 71 Ca 0.34 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1y9i h LEU 71 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1y9i h LEU 71 CO -0.18 1.10 0.25 0.44 0.09 0.00 0.00 178.44 180.14 1y9i h ASP 72 N 0.75 0.67 0.00 -0.43 3.32 -0.65 -1.78 116.42 118.31 1y9i h ASP 72 Ca 0.11 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1y9i h ASP 72 Cb 0.72 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1y9i h ASP 72 CO 0.05 0.60 0.00 0.52 -1.72 0.00 0.00 179.24 178.70 1y9i n VAL 73 N -4.60 0.02 0.00 -1.35 0.31 0.06 -0.75 118.33 112.01 1y9i n VAL 73 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1y9i n VAL 73 Cb 0.11 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1y9i n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y9i n ALA 75 N 0.60 0.00 -0.34 3.52 0.00 -0.67 -1.40 120.51 122.21 1y9i n ALA 75 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1y9i n ALA 75 Cb 0.02 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.57 1y9i n ALA 75 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1y9i h GLU 76 N 0.00 1.19 -0.01 0.00 4.81 -1.19 0.25 114.58 119.64 1y9i h GLU 76 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1y9i h GLU 76 Cb 0.00 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1y9i h GLU 76 CO 0.00 0.79 -0.05 1.63 -0.73 0.00 0.00 179.01 180.65 1y9i n LYS 77 N -4.46 1.05 -3.10 1.92 5.02 -0.49 -4.92 118.16 113.18 1y9i n LYS 77 Ca 0.11 -0.36 -0.20 0.00 -2.02 0.00 0.00 58.31 55.84 1y9i n LYS 77 Cb 0.03 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1y9i n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9i n GLY 78 N 1.16 -0.36 1.01 0.72 0.00 0.08 -4.92 105.19 102.88 1y9i n GLY 78 Ca 0.19 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1y9i n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y9i n GLU 79 N -3.89 2.35 -3.11 1.61 1.02 -1.26 -4.96 120.64 112.40 1y9i n GLU 79 Ca -0.06 -2.01 -0.30 0.00 -0.02 0.00 0.00 57.16 54.77 1y9i n GLU 79 Cb 0.59 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1y9i n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y9i s LEU 80 N -1.68 3.96 0.54 -4.62 1.43 -1.26 -5.02 118.68 112.03 1y9i s LEU 80 Ca 0.35 0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 54.23 1y9i s LEU 80 Cb 0.21 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1y9i s LEU 80 CO 0.31 -0.28 1.08 0.68 0.23 0.00 0.00 176.35 178.37 1y9i s VAL 81 N -2.19 3.49 0.38 -1.59 -7.23 -1.26 -4.40 120.40 107.61 1y9i s VAL 81 Ca 0.48 0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 61.33 1y9i s VAL 81 Cb -0.11 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 1y9i s VAL 81 CO 0.29 -0.26 0.87 -1.10 -0.31 0.00 0.00 175.10 174.60 1y9i s GLN 82 N -3.46 4.17 0.00 4.82 -1.52 -1.26 -0.75 119.66 121.67 1y9i s GLN 82 Ca 0.69 0.98 0.26 0.00 -1.95 0.00 0.00 55.36 55.34 1y9i s GLN 82 Cb -0.20 -2.31 1.10 0.00 -0.22 0.00 0.00 33.01 31.39 1y9i s GLN 82 CO 0.27 0.06 1.77 -0.35 -0.25 0.00 0.00 175.29 176.78 1y9i n PRO 83 N -0.46 1.55 -0.35 2.91 -0.04 -1.26 -4.86 135.00 132.49 1y9i n PRO 83 Ca 0.05 -0.81 0.07 0.00 -0.04 0.00 0.00 63.50 62.77 1y9i n PRO 83 Cb 0.53 -1.45 0.24 0.00 -0.04 0.00 0.00 33.50 32.78 1y9i n PRO 83 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1y9i h LEU 84 N 1.88 0.93 0.11 1.53 5.85 -1.75 0.22 115.31 124.08 1y9i h LEU 84 Ca 0.00 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1y9i h LEU 84 Cb 0.40 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1y9i h LEU 84 CO 0.00 0.51 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.66 1y9i h GLN 85 N 1.01 -0.55 -0.30 1.25 5.75 -1.15 -0.03 115.11 121.10 1y9i h GLN 85 Ca 0.48 0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.91 1y9i h GLN 85 Cb 0.44 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1y9i h GLN 85 CO -0.24 -0.36 -0.27 -0.91 -2.65 0.00 0.00 178.83 174.40 1y9i h ASN 86 N -0.57 0.60 0.03 -0.69 2.35 -1.71 -0.90 115.58 114.70 1y9i h ASN 86 Ca 0.03 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1y9i h ASN 86 Cb 0.60 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1y9i h ASN 86 CO -0.20 0.85 -0.02 0.40 -1.65 0.00 0.00 177.43 176.81 1y9i h ILE 87 N 0.52 0.95 -0.23 2.81 2.04 -0.59 -0.41 117.51 122.60 1y9i h ILE 87 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 1y9i h ILE 87 Cb 0.73 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1y9i h ILE 87 CO 0.06 0.00 -0.30 0.40 0.00 0.00 0.00 178.15 178.31 1y9i h ILE 88 N -0.05 1.32 -0.42 -0.67 2.04 -0.97 -1.93 117.51 116.83 1y9i h ILE 88 Ca 0.00 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.39 1y9i h ILE 88 Cb 0.05 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1y9i h ILE 88 CO -0.00 0.46 0.26 0.28 0.00 0.00 0.00 178.15 179.15 1y9i h SER 89 N 0.31 0.44 0.84 1.72 0.02 -1.09 -2.05 113.55 113.74 1y9i h SER 89 Ca 0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1y9i h SER 89 Cb 0.87 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1y9i h SER 89 CO 0.07 0.31 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1y9i n ALA 90 N -2.23 2.28 -3.57 3.77 0.00 -0.17 -4.92 120.51 115.67 1y9i n ALA 90 Ca 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1y9i n ALA 90 Cb 0.05 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.11 1y9i n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y9i n ASP 91 N -1.45 -1.85 -4.58 0.00 2.03 -0.77 -4.86 116.55 105.06 1y9i n ASP 91 Ca 0.08 -0.71 -0.48 0.00 0.52 0.00 0.00 54.79 54.20 1y9i n ASP 91 Cb 0.30 -4.61 -0.04 0.00 -0.72 0.00 0.00 41.12 36.05 1y9i n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1y9i n GLU 92 N -4.24 1.20 0.25 -0.67 -0.58 -0.79 -4.89 120.64 110.92 1y9i n GLU 92 Ca -0.28 0.43 0.07 0.00 -0.42 0.00 0.00 57.16 56.96 1y9i n GLU 92 Cb 0.67 -1.91 0.60 0.00 -0.57 0.00 0.00 31.44 30.23 1y9i n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1y9i h GLY 93 N 3.22 0.00 -0.62 0.62 0.00 -1.93 -2.40 103.07 101.97 1y9i h GLY 93 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1y9i h GLY 93 CO 0.69 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.27 1y9i n LEU 94 N -4.38 1.55 -4.55 3.11 4.77 -1.26 -4.76 117.00 111.48 1y9i n LEU 94 Ca -0.03 -0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 54.94 1y9i n LEU 94 Cb 0.16 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1y9i n LEU 94 CO 0.34 0.30 0.25 -0.47 -1.33 0.00 0.00 177.39 176.48 1y9i s TYR 95 N -1.89 3.17 -0.59 -1.77 5.04 -0.90 -4.94 117.35 115.47 1y9i s TYR 95 Ca 0.35 0.15 0.10 0.00 -2.44 0.00 0.00 57.07 55.23 1y9i s TYR 95 Cb 0.19 -2.98 0.30 0.00 0.35 0.00 0.00 41.96 39.81 1y9i s TYR 95 CO 0.30 -0.59 1.24 0.41 -1.34 0.00 0.00 175.55 175.57 1y9i n GLY 96 N 4.82 3.15 0.25 8.97 0.00 -1.26 -4.63 105.19 116.49 1y9i n GLY 96 Ca -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.51 1y9i n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y9i h VAL 97 N 1.54 1.19 -0.50 1.61 2.07 -1.98 -1.60 116.25 118.57 1y9i h VAL 97 Ca 0.00 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1y9i h VAL 97 Cb 0.84 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1y9i h VAL 97 CO 0.04 0.26 -0.01 -2.24 0.02 0.00 0.00 177.57 175.64 1y9i h ASP 98 N 0.36 0.83 0.48 0.57 2.03 -1.89 -1.25 116.42 117.55 1y9i h ASP 98 Ca 0.07 -0.22 -0.13 0.00 -0.73 0.00 0.00 57.03 56.03 1y9i h ASP 98 Cb 0.37 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 1y9i h ASP 98 CO 0.02 0.90 -0.59 -0.33 -1.03 0.00 0.00 179.24 178.21 1y9i h GLU 99 N 0.79 0.11 -0.08 4.15 3.07 -1.74 -1.99 114.58 118.89 1y9i h GLU 99 Ca 0.15 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1y9i h GLU 99 Cb 0.50 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1y9i h GLU 99 CO 0.02 0.67 0.00 0.82 -1.40 0.00 0.00 179.01 179.12 1y9i h ILE 100 N 0.08 1.25 -0.70 3.13 1.08 -0.91 -1.25 117.51 120.19 1y9i h ILE 100 Ca -0.01 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 1y9i h ILE 100 Cb 1.06 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.40 1y9i h ILE 100 CO 0.08 0.22 0.37 0.25 -0.69 0.00 0.00 178.15 178.39 1y9i h LEU 101 N -0.14 0.89 -1.07 1.44 5.85 -1.20 -2.53 115.31 118.55 1y9i h LEU 101 Ca 0.02 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1y9i h LEU 101 Cb 0.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1y9i h LEU 101 CO 0.00 0.74 0.06 0.00 -0.34 0.00 0.00 178.44 178.90 1y9i h ALA 102 N 1.19 1.24 -0.42 1.25 0.00 -1.27 -2.56 119.26 118.68 1y9i h ALA 102 Ca 0.25 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1y9i h ALA 102 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1y9i h ALA 102 CO -0.04 0.51 0.28 1.25 0.00 0.00 0.00 179.25 181.26 1y9i h LEU 103 N 0.69 0.39 -1.62 0.00 5.85 -0.78 -0.66 115.31 119.18 1y9i h LEU 103 Ca 0.15 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1y9i h LEU 103 Cb 0.34 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1y9i h LEU 103 CO 0.01 0.27 -0.21 0.77 -0.34 0.00 0.00 178.44 178.94 1y9i h SER 104 N 0.46 0.00 -0.03 1.25 4.64 -1.38 -0.58 113.55 117.91 1y9i h SER 104 Ca 0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1y9i h SER 104 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1y9i h SER 104 CO -0.04 0.21 -0.12 0.40 -0.87 0.00 0.00 176.83 176.40 1y9i h ILE 105 N 0.00 1.49 -0.74 0.95 2.04 -1.19 -3.24 117.51 116.82 1y9i h ILE 105 Ca -0.00 -1.63 0.07 0.00 1.00 0.00 0.00 64.86 64.30 1y9i h ILE 105 Cb 0.45 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1y9i h ILE 105 CO 0.03 0.44 0.42 0.58 0.00 0.00 0.00 178.15 179.62 1y9i h VAL 106 N -0.48 0.95 -0.00 1.67 2.07 -1.06 -2.41 116.25 117.00 1y9i h VAL 106 Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1y9i h VAL 106 Cb 0.79 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1y9i h VAL 106 CO 0.03 0.14 0.07 0.78 0.02 0.00 0.00 177.57 178.60 1y9i h ASN 107 N 0.75 0.00 -0.02 0.57 -0.26 -1.14 -2.40 115.58 113.08 1y9i h ASN 107 Ca 0.34 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 56.09 1y9i h ASN 107 Cb 0.24 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1y9i h ASN 107 CO -0.20 0.00 0.03 -0.37 -1.06 0.00 0.00 177.43 175.83 1y9i h VAL 108 N 0.00 0.36 0.00 2.81 -1.51 -1.46 -1.21 116.25 115.23 1y9i h VAL 108 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1y9i h VAL 108 Cb 0.14 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1y9i h VAL 108 CO -0.00 0.00 -0.02 -1.22 -1.23 0.00 0.00 177.57 175.10 1y9i n TYR 109 N -3.60 0.00 0.00 5.19 4.01 -0.91 -5.12 117.16 116.74 1y9i n TYR 109 Ca -0.02 -0.94 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 1y9i n TYR 109 Cb 0.11 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1y9i n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y9i n GLY 110 N -1.34 -0.17 0.28 2.72 0.00 -0.46 -4.63 105.19 101.60 1y9i n GLY 110 Ca 0.15 -1.80 0.19 0.00 0.00 0.00 0.00 46.02 44.55 1y9i n GLY 110 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y9i h SER 111 N 0.00 0.00 0.21 1.61 4.64 -1.87 -2.73 113.55 115.41 1y9i h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y9i h SER 111 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y9i h SER 111 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1y9i n ILE 112 N -2.99 1.25 0.92 0.95 -5.35 -1.26 -1.31 119.36 111.56 1y9i n ILE 112 Ca -0.01 0.31 0.11 0.00 -0.27 0.00 0.00 62.75 62.89 1y9i n ILE 112 Cb 0.21 -1.18 -0.04 0.00 -1.74 0.00 0.00 39.64 36.89 1y9i n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y9i n GLY 113 N -0.69 -1.07 0.35 3.28 0.00 -1.03 -4.55 105.19 101.48 1y9i n GLY 113 Ca 0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1y9i n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1y9i h PHE 114 N 0.00 -0.99 -0.61 1.61 0.05 -1.39 -2.10 116.94 113.51 1y9i h PHE 114 Ca 0.00 0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.80 1y9i h PHE 114 Cb 0.54 0.47 -0.03 0.00 2.00 0.00 0.00 35.95 38.93 1y9i h PHE 114 CO 0.00 -0.41 0.21 1.79 -0.18 0.00 0.00 178.31 179.72 1y9i h THR 115 N -0.37 1.22 -0.14 -1.55 1.35 -1.80 -2.50 112.91 109.12 1y9i h THR 115 Ca 0.11 -0.74 -0.09 0.00 -0.55 0.00 0.00 66.41 65.14 1y9i h THR 115 Cb 0.56 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1y9i h THR 115 CO -0.43 0.29 -0.32 0.78 -0.25 0.00 0.00 175.52 175.59 1y9i h ASN 116 N 0.88 0.29 -0.12 5.36 2.35 -1.76 -0.57 115.58 122.02 1y9i h ASN 116 Ca 0.20 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1y9i h ASN 116 Cb 0.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1y9i h ASN 116 CO -0.01 0.60 0.04 0.22 -1.65 0.00 0.00 177.43 176.63 1y9i h TYR 117 N 0.25 0.19 -0.39 1.19 3.20 -0.96 -0.92 116.97 119.52 1y9i h TYR 117 Ca 0.03 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1y9i h TYR 117 Cb 0.69 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1y9i h TYR 117 CO 0.01 0.31 0.01 0.78 -1.64 0.00 0.00 178.16 177.63 1y9i h GLY 118 N 0.01 0.74 0.82 1.82 0.00 -1.33 -2.29 103.07 102.85 1y9i h GLY 118 Ca 0.04 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1y9i h GLY 118 CO -0.00 0.50 -0.07 -1.82 0.00 0.00 0.00 176.54 175.15 1y9i h TYR 119 N 0.52 -0.17 -0.07 5.60 3.20 -1.04 -2.45 116.97 122.56 1y9i h TYR 119 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1y9i h TYR 119 Cb 0.46 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1y9i h TYR 119 CO 0.04 -0.11 -0.29 0.97 -1.64 0.00 0.00 178.16 177.13 1y9i h ILE 120 N -0.12 1.24 0.00 1.81 2.10 -1.18 -1.95 117.51 119.41 1y9i h ILE 120 Ca 0.03 -1.12 -0.05 0.00 1.08 0.00 0.00 64.86 64.79 1y9i h ILE 120 Cb 0.15 1.51 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1y9i h ILE 120 CO -0.07 0.33 -0.26 -0.78 -1.08 0.00 0.00 178.15 176.29 1y9i h ASP 121 N 0.11 0.00 0.25 2.19 1.82 -1.04 0.52 116.42 120.27 1y9i h ASP 121 Ca 0.02 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.32 1y9i h ASP 121 Cb 0.58 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 1y9i h ASP 121 CO 0.04 0.26 -1.88 0.50 -1.61 0.00 0.00 179.24 176.55 1y9i h LYS 122 N 0.00 0.19 0.03 0.28 3.64 -1.03 -3.37 116.57 116.31 1y9i h LYS 122 Ca -0.00 -0.33 -0.21 0.00 -1.27 0.00 0.00 60.65 58.83 1y9i h LYS 122 Cb 0.57 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1y9i h LYS 122 CO 0.03 1.01 -0.96 0.28 -2.27 0.00 0.00 179.45 177.54 1y9i h VAL 123 N 0.05 1.52 -6.27 2.00 2.07 -1.32 -3.49 116.25 110.82 1y9i h VAL 123 Ca -0.37 -2.79 -0.44 0.00 0.82 0.00 0.00 66.70 63.92 1y9i h VAL 123 Cb 2.03 2.60 0.08 0.00 -1.52 0.00 0.00 31.29 34.48 1y9i h VAL 123 CO 0.09 0.81 -0.94 0.29 0.02 0.00 0.00 177.57 177.84 1y9i n LYS 124 N -3.60 -1.15 -1.92 1.57 5.02 0.17 -4.99 118.16 113.26 1y9i n LYS 124 Ca -0.04 0.44 -0.29 0.00 -2.02 0.00 0.00 58.31 56.40 1y9i n LYS 124 Cb 0.86 -4.01 0.06 0.00 -0.02 0.00 0.00 35.03 31.92 1y9i n LYS 124 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y9i s PRO 125 N -6.04 2.52 2.00 1.97 0.04 -1.26 -3.34 135.00 130.89 1y9i s PRO 125 Ca 0.47 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1y9i s PRO 125 Cb -0.17 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1y9i s PRO 125 CO 0.87 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1y9i n GLY 126 N -3.10 2.79 0.36 0.56 0.00 -1.26 -1.81 105.19 102.73 1y9i n GLY 126 Ca 0.07 0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.33 1y9i n GLY 126 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y9i h ILE 127 N 0.00 0.51 0.00 -0.61 6.09 -1.91 -1.74 117.51 119.84 1y9i h ILE 127 Ca 0.00 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 1y9i h ILE 127 Cb 0.00 0.74 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 1y9i h ILE 127 CO 0.00 0.00 -0.30 -0.07 -3.07 0.00 0.00 178.15 174.71 1y9i h LEU 128 N 0.00 0.00 -1.24 2.19 3.38 -1.62 -2.12 115.31 115.90 1y9i h LEU 128 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1y9i h LEU 128 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1y9i h LEU 128 CO -0.00 0.30 -0.36 0.00 0.09 0.00 0.00 178.44 178.46 1y9i h ALA 129 N 1.70 1.37 -0.13 1.53 0.00 -1.31 -2.64 119.26 119.79 1y9i h ALA 129 Ca -0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 1y9i h ALA 129 Cb 0.53 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1y9i h ALA 129 CO 0.04 0.47 -0.77 0.87 0.00 0.00 0.00 179.25 179.86 1y9i h LYS 130 N 0.03 0.68 0.00 0.00 1.57 -1.50 -3.07 116.57 114.28 1y9i h LYS 130 Ca 0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1y9i h LYS 130 Cb 0.66 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1y9i h LYS 130 CO 0.05 1.17 0.00 1.28 -0.57 0.00 0.00 179.45 181.38 1y9i n LEU 131 N -3.91 0.00 -0.71 2.94 4.77 -1.07 -3.33 117.00 115.68 1y9i n LEU 131 Ca -0.07 0.08 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1y9i n LEU 131 Cb 0.74 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.90 1y9i n LEU 131 CO 0.52 -0.00 0.62 -3.20 -1.33 0.00 0.00 177.39 173.99 1y9i n ASN 132 N -1.08 2.90 0.09 -1.43 5.15 -1.01 -4.61 115.26 115.27 1y9i n ASN 132 Ca 0.21 -1.91 0.03 0.00 -0.60 0.00 0.00 54.58 52.31 1y9i n ASN 132 Cb 0.15 -0.22 0.42 0.00 -0.53 0.00 0.00 39.78 39.59 1y9i n ASN 132 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1y9i h GLU 133 N 2.44 0.33 -6.15 1.20 5.08 -1.61 -3.47 114.58 112.40 1y9i h GLU 133 Ca 0.00 -0.05 -0.43 0.00 -1.00 0.00 0.00 59.36 57.88 1y9i h GLU 133 Cb 0.73 -0.06 0.05 0.00 0.50 0.00 0.00 28.75 29.97 1y9i h GLU 133 CO 0.00 0.35 -0.86 0.72 -1.00 0.00 0.00 179.01 178.22 1y9i n HIS 134 N -4.36 -1.89 1.25 4.33 8.25 -1.26 -4.84 115.22 116.70 1y9i n HIS 134 Ca 0.00 0.76 0.02 0.00 -0.26 0.00 0.00 57.72 58.24 1y9i n HIS 134 Cb 0.19 -4.11 0.11 0.00 1.12 0.00 0.00 29.99 27.31 1y9i n HIS 134 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1y9i n ASP 135 N -2.99 0.00 0.00 0.41 5.68 -1.26 -4.83 116.55 113.56 1y9i n ASP 135 Ca -0.26 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1y9i n ASP 135 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1y9i n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y9i n GLY 136 N 0.15 1.32 0.50 6.12 0.00 -1.26 -4.76 105.19 107.25 1y9i n GLY 136 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1y9i n GLY 136 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1y9i n ILE 137 N -2.00 0.00 -3.25 -0.61 3.06 -1.26 -5.05 119.36 110.25 1y9i n ILE 137 Ca 0.00 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.91 1y9i n ILE 137 Cb 0.00 -0.87 -0.06 0.00 0.54 0.00 0.00 39.64 39.25 1y9i n ILE 137 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1y9i s ALA 138 N -1.94 3.47 -0.12 1.51 0.00 -1.26 -4.85 121.76 118.57 1y9i s ALA 138 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1y9i s ALA 138 Cb 0.00 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.50 1y9i s ALA 138 CO 0.00 0.40 -0.10 0.08 0.00 0.00 0.00 175.76 176.14 1y9i s VAL 139 N -1.67 1.20 -0.15 0.00 1.01 -1.26 -4.61 120.40 114.91 1y9i s VAL 139 Ca 0.45 -0.40 0.18 0.00 0.00 0.00 0.00 61.98 62.21 1y9i s VAL 139 Cb -0.14 -1.18 0.44 0.00 0.00 0.00 0.00 36.38 35.51 1y9i s VAL 139 CO 0.20 0.40 1.18 1.41 0.00 0.00 0.00 175.10 178.28 1y9i n HIS 140 N 4.84 0.58 -0.26 5.22 8.25 -1.26 -4.70 115.22 127.89 1y9i n HIS 140 Ca -0.14 -1.32 0.01 0.00 -0.26 0.00 0.00 57.72 56.01 1y9i n HIS 140 Cb 0.50 -0.22 0.13 0.00 1.12 0.00 0.00 29.99 31.52 1y9i n HIS 140 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1y9i h THR 141 N 4.22 0.93 0.11 1.59 2.02 -1.89 -1.09 112.91 118.79 1y9i h THR 141 Ca -0.06 -0.25 -0.34 0.00 0.77 0.00 0.00 66.41 66.53 1y9i h THR 141 Cb 1.46 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1y9i h THR 141 CO 0.17 0.13 -1.82 -0.26 0.37 0.00 0.00 175.52 174.11 1y9i h PHE 142 N 0.73 0.43 -0.82 3.16 0.04 -1.90 -3.39 116.94 115.20 1y9i h PHE 142 Ca 0.35 -0.31 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1y9i h PHE 142 Cb 0.28 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1y9i h PHE 142 CO -0.07 1.56 0.46 1.25 -0.60 0.00 0.00 178.31 180.90 1y9i h LEU 143 N 0.06 1.01 -0.71 1.54 5.85 -1.80 -2.04 115.31 119.23 1y9i h LEU 143 Ca -0.35 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1y9i h LEU 143 Cb 2.04 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.76 1y9i h LEU 143 CO 0.12 0.80 0.43 -2.24 -0.34 0.00 0.00 178.44 177.21 1y9i h ASP 144 N 1.14 0.69 -0.41 1.25 3.04 -1.39 -0.76 116.42 120.00 1y9i h ASP 144 Ca 0.29 0.01 -0.15 0.00 -3.24 0.00 0.00 57.03 53.94 1y9i h ASP 144 Cb 0.01 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.15 1y9i h ASP 144 CO -0.05 0.47 -0.34 0.44 -2.04 0.00 0.00 179.24 177.72 1y9i h ASP 145 N 0.83 1.01 -0.48 4.15 3.32 -1.70 -2.38 116.42 121.18 1y9i h ASP 145 Ca 0.30 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1y9i h ASP 145 Cb 0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1y9i h ASP 145 CO -0.13 1.24 0.30 0.40 -1.72 0.00 0.00 179.24 179.33 1y9i h ILE 146 N 0.79 1.14 0.06 0.35 2.04 -0.90 0.13 117.51 121.11 1y9i h ILE 146 Ca 0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1y9i h ILE 146 Cb 0.93 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1y9i h ILE 146 CO 0.09 0.14 -0.03 0.58 0.00 0.00 0.00 178.15 178.92 1y9i h VAL 147 N 0.64 1.10 -0.38 1.67 2.07 -1.11 0.09 116.25 120.34 1y9i h VAL 147 Ca 0.17 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1y9i h VAL 147 Cb -0.04 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1y9i h VAL 147 CO -0.03 0.13 0.26 1.23 0.02 0.00 0.00 177.57 179.17 1y9i h GLY 148 N -0.31 0.49 1.28 2.17 0.00 -1.30 -1.39 103.07 104.00 1y9i h GLY 148 Ca -0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1y9i h GLY 148 CO 0.01 0.16 -0.79 0.00 0.00 0.00 0.00 176.54 175.93 1y9i h ALA 149 N 1.77 0.36 -0.55 3.60 0.00 -0.40 -1.53 119.26 122.52 1y9i h ALA 149 Ca 0.15 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1y9i h ALA 149 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1y9i h ALA 149 CO -0.03 0.71 0.06 0.82 0.00 0.00 0.00 179.25 180.80 1y9i h ILE 150 N 0.47 1.25 -0.37 0.00 2.04 -0.42 -0.18 117.51 120.29 1y9i h ILE 150 Ca -0.05 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1y9i h ILE 150 Cb 1.41 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1y9i h ILE 150 CO 0.16 0.35 0.13 0.00 0.00 0.00 0.00 178.15 178.79 1y9i h ALA 151 N 1.22 0.49 -0.59 1.87 0.00 -1.17 -0.39 119.26 120.70 1y9i h ALA 151 Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1y9i h ALA 151 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1y9i h ALA 151 CO 0.01 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.49 1y9i h ALA 152 N 0.97 0.78 -0.59 0.00 0.00 -0.93 -0.21 119.26 119.29 1y9i h ALA 152 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1y9i h ALA 152 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1y9i h ALA 152 CO -0.01 0.51 0.23 0.00 0.00 0.00 0.00 179.25 179.98 1y9i h ALA 153 N 1.02 0.76 -0.56 0.00 0.00 -0.87 -0.82 119.26 118.79 1y9i h ALA 153 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1y9i h ALA 153 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1y9i h ALA 153 CO 0.01 0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.87 1y9i h ALA 154 N 1.08 0.73 -0.44 0.00 0.00 -0.82 -1.48 119.26 118.33 1y9i h ALA 154 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1y9i h ALA 154 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1y9i h ALA 154 CO -0.01 0.34 0.19 0.00 0.00 0.00 0.00 179.25 179.77 1y9i h ALA 155 N 1.07 1.50 -0.30 0.00 0.00 -0.70 -1.46 119.26 119.38 1y9i h ALA 155 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1y9i h ALA 155 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1y9i h ALA 155 CO -0.02 0.39 -0.35 0.77 0.00 0.00 0.00 179.25 180.04 1y9i h SER 156 N 0.62 0.82 -0.74 0.00 0.02 -0.61 -1.97 113.55 111.69 1y9i h SER 156 Ca 0.15 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1y9i h SER 156 Cb 0.10 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1y9i h SER 156 CO -0.02 1.15 0.49 -0.09 -1.14 0.00 0.00 176.83 177.22 1y9i h ARG 157 N 0.52 0.97 -0.82 3.45 2.43 -0.80 -1.93 114.38 118.20 1y9i h ARG 157 Ca 0.04 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1y9i h ARG 157 Cb 0.94 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1y9i h ARG 157 CO 0.08 0.64 0.51 1.25 -1.51 0.00 0.00 179.97 180.94 1y9i h LEU 158 N 1.00 0.97 -0.81 3.80 5.85 -1.18 -1.11 115.31 123.83 1y9i h LEU 158 Ca 0.27 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1y9i h LEU 158 Cb -0.11 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 1y9i h LEU 158 CO -0.06 0.74 0.53 0.00 -0.34 0.00 0.00 178.44 179.30 1y9i h ALA 159 N 1.27 1.04 -0.43 1.25 0.00 -0.63 -1.50 119.26 120.27 1y9i h ALA 159 Ca 0.29 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1y9i h ALA 159 Cb -0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1y9i h ALA 159 CO -0.06 0.39 -0.14 0.45 0.00 0.00 0.00 179.25 179.90 1y9i h HIS 160 N 1.06 0.87 0.27 0.00 3.86 -0.83 -2.87 115.15 117.51 1y9i h HIS 160 Ca 0.31 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1y9i h HIS 160 Cb -0.07 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1y9i h HIS 160 CO -0.02 0.87 -0.13 0.77 0.86 0.00 0.00 177.93 180.28 1y9i h SER 161 N 0.70 -0.31 -0.90 2.45 0.02 -0.43 -2.84 113.55 112.23 1y9i h SER 161 Ca 0.11 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1y9i h SER 161 Cb 0.63 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 1y9i h SER 161 CO 0.04 -0.15 0.60 1.88 -1.14 0.00 0.00 176.83 178.06 1y9i h TYR 162 N -0.45 1.13 0.64 3.45 0.99 -1.32 -3.21 116.97 118.19 1y9i h TYR 162 Ca -0.04 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1y9i h TYR 162 Cb 0.34 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.69 1y9i h TYR 162 CO -0.03 0.70 -0.35 1.25 -0.00 0.00 0.00 178.16 179.72 1y9i h HIS 163 N 1.20 -0.93 -0.02 4.88 2.76 -1.46 -3.52 115.15 118.06 1y9i h HIS 163 Ca 0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1y9i h HIS 163 Cb -0.11 0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1y9i h HIS 163 CO -0.01 -0.55 0.00 -0.40 -1.30 0.00 0.00 177.93 175.67