#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9i s GLN 7 N 0.00 0.66 1.22 1.97 -0.21 -1.26 -5.15 119.66 116.89 1y9i s GLN 7 Ca 0.00 -0.44 -0.13 0.00 0.02 0.00 0.00 55.36 54.81 1y9i s GLN 7 Cb 0.00 -0.62 0.31 0.00 1.00 0.00 0.00 33.01 33.71 1y9i s GLN 7 CO 0.00 0.16 1.01 -1.54 -2.12 0.00 0.00 175.29 172.80 1y9i s SER 8 N -0.57 0.51 0.31 5.90 1.04 -1.26 -4.69 113.70 114.94 1y9i s SER 8 Ca 0.01 1.48 0.07 0.00 0.48 0.00 0.00 55.95 57.98 1y9i s SER 8 Cb -0.05 -2.28 0.50 0.00 0.10 0.00 0.00 66.02 64.29 1y9i s SER 8 CO 0.00 -4.49 1.74 0.00 0.98 0.00 0.00 173.24 171.47 1y9i h ALA 9 N -2.82 1.17 0.16 5.32 0.00 -2.01 -1.29 119.26 119.80 1y9i h ALA 9 Ca -0.63 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1y9i h ALA 9 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1y9i h ALA 9 CO 0.49 0.55 -0.08 1.25 0.00 0.00 0.00 179.25 181.46 1y9i h LEU 10 N 0.22 -0.19 -0.44 0.00 5.85 -2.00 -2.24 115.31 116.52 1y9i h LEU 10 Ca 0.03 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1y9i h LEU 10 Cb 0.73 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1y9i h LEU 10 CO 0.06 0.13 0.21 -0.08 -0.34 0.00 0.00 178.44 178.41 1y9i h GLU 11 N -0.51 0.64 -0.15 1.25 4.81 -1.88 -1.39 114.58 117.35 1y9i h GLU 11 Ca -0.02 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1y9i h GLU 11 Cb 0.39 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1y9i h GLU 11 CO 0.04 0.55 -0.13 0.77 -0.73 0.00 0.00 179.01 179.51 1y9i h SER 12 N 0.57 -0.40 -0.64 1.04 0.02 -1.25 -1.42 113.55 111.46 1y9i h SER 12 Ca 0.15 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1y9i h SER 12 Cb 0.13 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1y9i h SER 12 CO -0.02 -0.17 0.20 0.50 -1.14 0.00 0.00 176.83 176.20 1y9i h LYS 13 N -0.14 1.02 -0.09 3.45 1.63 -1.27 -1.96 116.57 119.20 1y9i h LYS 13 Ca 0.10 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1y9i h LYS 13 Cb 0.29 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1y9i h LYS 13 CO -0.24 0.88 0.06 0.00 -3.45 0.00 0.00 179.45 176.70 1y9i h ALA 14 N 1.23 0.12 -0.12 5.00 0.00 -0.79 -0.42 119.26 124.27 1y9i h ALA 14 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1y9i h ALA 14 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1y9i h ALA 14 CO -0.01 -0.39 0.05 0.00 0.00 0.00 0.00 179.25 178.90 1y9i h ARG 15 N 0.12 0.18 -0.19 0.00 3.08 -1.12 -2.39 114.38 114.06 1y9i h ARG 15 Ca 0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1y9i h ARG 15 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1y9i h ARG 15 CO -0.01 0.28 -0.25 0.66 -1.07 0.00 0.00 179.97 179.58 1y9i h SER 16 N 0.04 0.34 -0.30 7.04 4.64 -1.30 -2.59 113.55 121.42 1y9i h SER 16 Ca 0.04 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 1y9i h SER 16 Cb 0.17 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1y9i h SER 16 CO -0.00 0.60 -0.44 -0.25 -0.87 0.00 0.00 176.83 175.87 1y9i h TRP 17 N 0.31 1.05 -0.03 4.77 2.91 -1.00 0.85 115.95 124.82 1y9i h TRP 17 Ca 0.05 -0.33 0.01 0.00 1.13 0.00 0.00 58.89 59.75 1y9i h TRP 17 Cb 0.61 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1y9i h TRP 17 CO 0.01 1.14 -0.05 -0.07 -1.03 0.00 0.00 178.44 178.45 1y9i h LEU 18 N 0.70 -0.14 -0.72 0.65 3.38 -1.26 -0.23 115.31 117.67 1y9i h LEU 18 Ca 0.05 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1y9i h LEU 18 Cb 1.02 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1y9i h LEU 18 CO 0.10 -0.07 0.47 0.40 0.09 0.00 0.00 178.44 179.43 1y9i h ILE 19 N -0.07 1.17 -0.09 1.22 2.04 -1.34 -1.15 117.51 119.29 1y9i h ILE 19 Ca 0.03 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1y9i h ILE 19 Cb 0.11 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1y9i h ILE 19 CO -0.07 0.18 0.00 -0.08 0.00 0.00 0.00 178.15 178.17 1y9i h GLU 20 N 0.96 0.12 -0.00 2.37 4.81 -0.39 0.16 114.58 122.62 1y9i h GLU 20 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1y9i h GLU 20 Cb -0.09 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1y9i h GLU 20 CO -0.07 0.14 -0.02 0.54 -0.73 0.00 0.00 179.01 178.87 1y9i n ARG 21 N -4.46 1.04 -0.07 1.92 5.12 -0.14 -4.90 116.66 115.18 1y9i n ARG 21 Ca -0.02 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 1y9i n ARG 21 Cb 0.13 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.11 0.96 3.26 -0.13 0.00 0.04 -5.08 105.19 105.36 1y9i n GLY 22 Ca 0.20 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 3.28 0.23 1.61 1.01 -0.66 -4.99 120.40 118.88 1y9i s VAL 23 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1y9i s VAL 23 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1y9i s VAL 23 CO 0.00 0.23 0.39 -1.61 0.00 0.00 0.00 175.10 174.11 1y9i s GLU 24 N 1.41 3.47 0.23 2.72 0.41 -1.26 -3.11 118.70 122.57 1y9i s GLU 24 Ca 0.02 -0.54 -0.07 0.00 -0.41 0.00 0.00 54.97 53.98 1y9i s GLU 24 Cb -0.16 -2.85 0.38 0.00 -1.78 0.00 0.00 34.13 29.73 1y9i s GLU 24 CO -0.02 0.38 1.73 0.82 -0.49 0.00 0.00 175.26 177.68 1y9i h ILE 25 N 1.27 0.68 -0.00 -1.63 1.08 -1.99 -0.89 117.51 116.03 1y9i h ILE 25 Ca -0.50 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 1y9i h ILE 25 Cb 1.21 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1y9i h ILE 25 CO 0.64 0.07 -0.06 0.44 -0.69 0.00 0.00 178.15 178.56 1y9i h ASP 26 N 0.39 0.01 -0.57 1.72 5.19 -1.97 -0.27 116.42 120.91 1y9i h ASP 26 Ca 0.37 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.68 1y9i h ASP 26 Cb 0.54 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1y9i h ASP 26 CO -0.38 0.07 -0.04 0.44 -3.12 0.00 0.00 179.24 176.20 1y9i h ASP 27 N 0.01 1.03 -0.12 6.45 3.32 -1.55 -1.28 116.42 124.28 1y9i h ASP 27 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.53 1y9i h ASP 27 Cb 0.11 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1y9i h ASP 27 CO 0.01 1.10 -0.74 0.40 -1.72 0.00 0.00 179.24 178.28 1y9i h ILE 28 N 0.95 1.29 -0.85 0.35 2.04 -1.22 -3.14 117.51 116.92 1y9i h ILE 28 Ca 0.16 -1.96 0.04 0.00 1.00 0.00 0.00 64.86 64.10 1y9i h ILE 28 Cb 0.59 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1y9i h ILE 28 CO 0.04 0.62 0.56 0.00 0.00 0.00 0.00 178.15 179.37 1y9i h ALA 29 N 0.62 1.48 -0.22 1.87 0.00 -0.87 -0.73 119.26 121.42 1y9i h ALA 29 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1y9i h ALA 29 Cb 1.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1y9i h ALA 29 CO 0.15 0.44 0.06 0.93 0.00 0.00 0.00 179.25 180.83 1y9i h GLU 30 N 1.06 0.31 -0.32 0.00 4.39 -1.19 -0.72 114.58 118.11 1y9i h GLU 30 Ca 0.34 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.84 1y9i h GLU 30 Cb 0.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1y9i h GLU 30 CO -0.10 0.28 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.50 1y9i h LEU 31 N 0.31 0.94 -0.77 1.33 3.38 -1.14 -0.83 115.31 118.54 1y9i h LEU 31 Ca 0.08 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1y9i h LEU 31 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1y9i h LEU 31 CO -0.01 1.27 0.28 0.58 0.09 0.00 0.00 178.44 180.65 1y9i h VAL 32 N 0.65 1.26 -0.50 1.22 2.07 -0.77 -0.72 116.25 119.46 1y9i h VAL 32 Ca 0.03 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1y9i h VAL 32 Cb 1.05 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1y9i h VAL 32 CO 0.11 0.34 0.26 0.25 0.02 0.00 0.00 177.57 178.55 1y9i h LEU 33 N 1.12 0.64 -1.18 2.57 5.85 -0.97 -0.94 115.31 122.40 1y9i h LEU 33 Ca 0.25 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1y9i h LEU 33 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1y9i h LEU 33 CO -0.02 0.56 0.56 0.15 -0.34 0.00 0.00 178.44 179.36 1y9i h PHE 34 N 0.67 1.03 0.02 1.25 3.57 -0.60 0.93 116.94 123.81 1y9i h PHE 34 Ca 0.17 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.48 1y9i h PHE 34 Cb 0.08 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1y9i h PHE 34 CO -0.01 0.60 -0.96 -0.07 -2.23 0.00 0.00 178.31 175.64 1y9i h LEU 35 N 1.07 0.31 0.00 0.59 3.38 -0.62 -3.39 115.31 116.65 1y9i h LEU 35 Ca 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1y9i h LEU 35 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1y9i h LEU 35 CO -0.10 1.10 -0.84 0.00 0.09 0.00 0.00 178.44 178.70 1y9i n GLN 36 N -3.63 2.40 -0.27 1.13 1.13 -0.41 -4.69 117.38 113.05 1y9i n GLN 36 Ca -0.05 -0.03 0.09 0.00 -1.94 0.00 0.00 57.00 55.07 1y9i n GLN 36 Cb 0.86 -1.10 0.34 0.00 0.11 0.00 0.00 30.24 30.45 1y9i n GLN 36 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1y9i h GLN 37 N 0.00 0.77 0.00 -1.09 3.07 -1.02 -1.46 115.11 115.38 1y9i h GLN 37 Ca 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 1y9i h GLN 37 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1y9i h GLN 37 CO 0.00 0.51 -0.26 -0.22 0.09 0.00 0.00 178.83 178.95 1y9i h LYS 38 N 0.79 0.00 0.00 0.06 1.63 -1.83 -2.94 116.57 114.27 1y9i h LYS 38 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1y9i h LYS 38 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1y9i h LYS 38 CO -0.19 0.26 -0.98 0.66 -3.45 0.00 0.00 179.45 175.76 1y9i n TYR 39 N -3.70 0.09 -3.39 1.91 4.01 -0.63 -4.60 117.16 110.86 1y9i n TYR 39 Ca -0.01 0.03 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 1y9i n TYR 39 Cb 0.38 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 1y9i n TYR 39 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1y9i n HIS 40 N -1.71 -0.80 -1.66 -0.72 8.25 -0.74 -5.12 115.22 112.73 1y9i n HIS 40 Ca 0.03 -3.34 -0.42 0.00 -0.26 0.00 0.00 57.72 53.72 1y9i n HIS 40 Cb 0.38 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1y9i n HIS 40 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1y9i n PRO 41 N 2.71 1.74 -0.10 -0.41 -0.04 -1.19 -1.57 135.00 136.15 1y9i n PRO 41 Ca 0.29 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1y9i n PRO 41 Cb 0.48 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1y9i n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y9i n GLY 42 N 0.97 1.49 3.66 0.55 0.00 -1.26 -5.01 105.19 105.59 1y9i n GLY 42 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 1y9i n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1y9i n LEU 43 N 0.00 2.97 -4.69 0.99 7.94 -0.61 -4.99 117.00 118.61 1y9i n LEU 43 Ca 0.00 1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 55.77 1y9i n LEU 43 Cb 0.00 -1.41 -0.08 0.00 0.53 0.00 0.00 43.42 42.47 1y9i n LEU 43 CO 0.00 -0.47 -0.23 -1.61 -1.11 0.00 0.00 177.39 173.98 1y9i s GLU 44 N 0.17 2.20 0.30 1.96 2.02 -1.26 -4.99 118.70 119.11 1y9i s GLU 44 Ca 0.73 -1.73 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 1y9i s GLU 44 Cb -0.69 -2.01 0.46 0.00 0.10 0.00 0.00 34.13 32.00 1y9i s GLU 44 CO 0.45 0.05 1.95 1.25 0.02 0.00 0.00 175.26 178.97 1y9i h LEU 45 N 1.62 0.89 -0.23 1.80 5.85 -1.94 -3.29 115.31 120.00 1y9i h LEU 45 Ca -0.43 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.30 1y9i h LEU 45 Cb 1.25 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 1y9i h LEU 45 CO 0.67 0.68 -0.21 -0.78 -0.34 0.00 0.00 178.44 178.46 1y9i h ASP 46 N 1.02 -0.68 0.30 1.25 3.58 -1.98 0.16 116.42 120.07 1y9i h ASP 46 Ca 0.27 0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 1y9i h ASP 46 Cb -0.04 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1y9i h ASP 46 CO -0.05 -0.25 -0.25 -0.29 -2.88 0.00 0.00 179.24 175.51 1y9i h ILE 47 N -0.22 1.10 -0.41 2.25 6.09 -2.00 -1.20 117.51 123.12 1y9i h ILE 47 Ca 0.13 -0.89 -0.12 0.00 -1.37 0.00 0.00 64.86 62.61 1y9i h ILE 47 Cb 0.42 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.19 1y9i h ILE 47 CO -0.36 0.25 -0.20 0.00 -3.07 0.00 0.00 178.15 174.77 1y9i h ARG 49 N 0.68 0.63 -0.85 0.00 2.43 0.11 -1.96 114.38 115.43 1y9i h ARG 49 Ca 0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1y9i h ARG 49 Cb 0.76 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1y9i h ARG 49 CO 0.06 0.42 0.50 1.96 -1.51 0.00 0.00 179.97 181.40 1y9i h GLN 50 N 0.65 1.16 -0.11 0.20 4.20 -1.12 -1.20 115.11 118.88 1y9i h GLN 50 Ca 0.19 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1y9i h GLN 50 Cb -0.05 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1y9i h GLN 50 CO -0.05 0.81 -0.51 -0.91 -0.67 0.00 0.00 178.83 177.50 1y9i h ASN 51 N 1.17 0.32 -0.39 1.46 2.35 -1.12 -1.97 115.58 117.42 1y9i h ASN 51 Ca 0.30 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1y9i h ASN 51 Cb -0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1y9i h ASN 51 CO -0.06 0.78 0.05 0.58 -1.65 0.00 0.00 177.43 177.13 1y9i h VAL 52 N 0.24 1.24 -0.72 2.81 2.07 -0.75 -2.18 116.25 118.97 1y9i h VAL 52 Ca 0.01 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.69 1y9i h VAL 52 Cb 0.97 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1y9i h VAL 52 CO 0.08 0.30 0.43 -0.33 0.02 0.00 0.00 177.57 178.07 1y9i h GLU 53 N 0.49 0.78 -0.73 1.57 4.39 -1.03 -1.75 114.58 118.29 1y9i h GLU 53 Ca 0.12 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1y9i h GLU 53 Cb 0.39 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1y9i h GLU 53 CO 0.01 0.51 0.36 0.45 -1.16 0.00 0.00 179.01 179.18 1y9i h HIS 54 N 0.80 1.04 -0.36 4.33 3.86 -1.10 -2.73 115.15 120.99 1y9i h HIS 54 Ca 0.31 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.43 1y9i h HIS 54 Cb 0.13 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1y9i h HIS 54 CO -0.06 0.75 0.03 0.28 0.86 0.00 0.00 177.93 179.80 1y9i h VAL 55 N 1.04 1.25 0.00 2.45 2.07 -0.74 -2.79 116.25 119.53 1y9i h VAL 55 Ca 0.25 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1y9i h VAL 55 Cb 0.10 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1y9i h VAL 55 CO -0.03 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1y9i n LEU 56 N -4.53 0.38 -0.05 2.57 4.77 -0.72 -1.41 117.00 118.00 1y9i n LEU 56 Ca -0.01 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1y9i n LEU 56 Cb 0.25 -0.61 0.50 0.00 -2.33 0.00 0.00 43.42 41.23 1y9i n LEU 56 CO 0.39 -0.58 0.77 0.54 -1.33 0.00 0.00 177.39 177.18 1y9i n ARG 57 N -1.95 0.29 -2.66 3.23 1.74 -1.05 -4.70 116.66 111.56 1y9i n ARG 57 Ca 0.01 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1y9i n ARG 57 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.78 4.43 0.25 5.56 -0.14 -0.50 -4.94 119.74 121.61 1y9i s LYS 58 Ca 0.19 1.44 -0.04 0.00 -1.36 0.00 0.00 55.97 56.20 1y9i s LYS 58 Cb 0.19 -3.53 0.37 0.00 -1.68 0.00 0.00 37.83 33.17 1y9i s LYS 58 CO 0.56 -0.30 1.85 -0.09 -0.76 0.00 0.00 175.35 176.61 1y9i h ARG 59 N 7.11 0.98 -0.94 1.68 2.43 -1.88 -1.13 114.38 122.62 1y9i h ARG 59 Ca -0.33 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.85 1y9i h ARG 59 Cb 1.16 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 1y9i h ARG 59 CO 0.85 0.65 0.60 1.49 -1.51 0.00 0.00 179.97 182.04 1y9i h GLU 60 N 1.01 1.04 -0.24 0.20 4.57 -1.95 -0.94 114.58 118.28 1y9i h GLU 60 Ca 0.40 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1y9i h GLU 60 Cb 0.20 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1y9i h GLU 60 CO -0.18 0.69 -0.30 0.28 -1.18 0.00 0.00 179.01 178.31 1y9i h VAL 61 N 1.08 1.32 -0.84 0.32 2.07 -1.60 -2.97 116.25 115.62 1y9i h VAL 61 Ca 0.41 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1y9i h VAL 61 Cb 0.20 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1y9i h VAL 61 CO -0.18 0.47 0.56 1.56 0.02 0.00 0.00 177.57 179.99 1y9i h GLN 62 N 0.33 1.11 -0.78 1.57 4.20 -0.59 -0.43 115.11 120.51 1y9i h GLN 62 Ca 0.03 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1y9i h GLN 62 Cb 0.88 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1y9i h GLN 62 CO 0.07 0.73 0.47 -0.91 -0.67 0.00 0.00 178.83 178.52 1y9i h ASN 63 N 1.14 0.94 -0.39 1.46 2.35 -1.20 -1.79 115.58 118.09 1y9i h ASN 63 Ca 0.31 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1y9i h ASN 63 Cb -0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 37.99 1y9i h ASN 63 CO -0.07 0.72 -0.34 0.00 -1.65 0.00 0.00 177.43 176.10 1y9i h ALA 64 N 1.25 0.57 -0.20 -0.83 0.00 -1.26 -1.95 119.26 116.83 1y9i h ALA 64 Ca 0.28 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1y9i h ALA 64 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1y9i h ALA 64 CO -0.05 0.64 0.11 0.28 0.00 0.00 0.00 179.25 180.23 1y9i h VAL 65 N 0.74 1.01 -0.27 0.00 2.07 -0.79 -0.74 116.25 118.26 1y9i h VAL 65 Ca 0.07 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1y9i h VAL 65 Cb 0.93 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1y9i h VAL 65 CO 0.09 0.04 0.05 -0.07 0.02 0.00 0.00 177.57 177.70 1y9i h LEU 66 N 0.23 0.43 -0.25 2.57 4.07 -1.32 -1.92 115.31 119.11 1y9i h LEU 66 Ca 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1y9i h LEU 66 Cb 0.00 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1y9i h LEU 66 CO -0.04 0.57 0.11 0.74 -1.08 0.00 0.00 178.44 178.74 1y9i h THR 67 N 0.26 1.15 0.04 0.22 2.02 -1.25 -1.50 112.91 113.85 1y9i h THR 67 Ca 0.08 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1y9i h THR 67 Cb 0.32 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1y9i h THR 67 CO 0.00 0.15 -0.02 1.23 0.37 0.00 0.00 175.52 177.26 1y9i h GLY 68 N 0.26 -0.05 1.25 2.16 0.00 -1.12 -2.67 103.07 102.90 1y9i h GLY 68 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1y9i h GLY 68 CO -0.01 -0.02 0.33 -2.22 0.00 0.00 0.00 176.54 174.62 1y9i h ILE 69 N -0.24 1.22 -0.73 2.60 2.04 -1.37 -2.15 117.51 118.87 1y9i h ILE 69 Ca -0.01 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.31 1y9i h ILE 69 Cb 0.22 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1y9i h ILE 69 CO 0.01 0.26 0.41 -0.61 0.00 0.00 0.00 178.15 178.22 1y9i h GLN 70 N 0.97 0.72 -0.46 2.37 5.75 -1.16 -0.80 115.11 122.50 1y9i h GLN 70 Ca 0.24 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1y9i h GLN 70 Cb 0.09 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1y9i h GLN 70 CO -0.03 0.48 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.45 1y9i h LEU 71 N 0.74 0.90 -0.23 -2.39 3.38 -1.07 -3.14 115.31 113.51 1y9i h LEU 71 Ca 0.33 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1y9i h LEU 71 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1y9i h LEU 71 CO -0.20 1.05 0.10 0.44 0.09 0.00 0.00 178.44 179.92 1y9i h ASP 72 N 0.73 0.15 0.00 -0.43 3.32 -0.78 -1.37 116.42 118.04 1y9i h ASP 72 Ca 0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1y9i h ASP 72 Cb 0.66 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1y9i h ASP 72 CO 0.05 0.12 0.00 0.52 -1.72 0.00 0.00 179.24 178.20 1y9i n VAL 73 N -5.00 0.03 0.00 -1.35 0.31 -0.37 -1.23 118.33 110.72 1y9i n VAL 73 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1y9i n VAL 73 Cb 0.06 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.80 0.00 -0.06 3.52 0.00 -0.52 -1.79 120.51 122.46 1y9i n ALA 75 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1y9i n ALA 75 Cb 0.02 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.69 1y9i n ALA 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y9i h GLU 76 N 0.00 0.66 -0.00 0.00 5.08 -1.44 -2.48 114.58 116.40 1y9i h GLU 76 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1y9i h GLU 76 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1y9i h GLU 76 CO 0.00 0.68 -0.10 1.63 -1.00 0.00 0.00 179.01 180.23 1y9i n LYS 77 N -4.24 0.63 -2.67 2.33 5.02 -0.74 -4.93 118.16 113.56 1y9i n LYS 77 Ca 0.02 -0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1y9i n LYS 77 Cb 0.28 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.28 -0.13 0.03 0.72 0.00 -0.94 -4.93 105.19 101.23 1y9i n GLY 78 Ca 0.14 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.81 0.20 -2.56 1.61 -0.58 -1.26 -4.96 120.64 110.29 1y9i n GLU 79 Ca -0.09 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 1y9i n GLU 79 Cb 0.59 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1y9i n GLU 79 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1y9i s LEU 80 N -3.67 3.79 0.59 -4.62 1.43 -1.26 -5.04 118.68 109.90 1y9i s LEU 80 Ca 0.06 1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.73 1y9i s LEU 80 Cb 0.15 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1y9i s LEU 80 CO 0.78 -0.62 1.07 0.68 0.23 0.00 0.00 176.35 178.50 1y9i s VAL 81 N -2.27 3.62 0.32 -1.59 -7.23 -1.26 -4.45 120.40 107.53 1y9i s VAL 81 Ca 0.63 0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 61.47 1y9i s VAL 81 Cb -0.12 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 1y9i s VAL 81 CO 0.22 -0.41 0.72 -1.10 -0.31 0.00 0.00 175.10 174.22 1y9i s GLN 82 N -3.90 3.96 0.00 4.82 -1.52 -1.26 -0.65 119.66 121.12 1y9i s GLN 82 Ca 0.66 0.61 0.20 0.00 -1.95 0.00 0.00 55.36 54.87 1y9i s GLN 82 Cb -0.18 -2.45 0.78 0.00 -0.22 0.00 0.00 33.01 30.94 1y9i s GLN 82 CO 0.35 0.16 1.56 -0.35 -0.25 0.00 0.00 175.29 176.75 1y9i n PRO 83 N -0.42 1.60 -0.21 2.91 -0.04 -1.26 -4.86 135.00 132.73 1y9i n PRO 83 Ca 0.03 -0.91 0.05 0.00 -0.04 0.00 0.00 63.50 62.64 1y9i n PRO 83 Cb 0.53 -1.37 0.32 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.81 0.73 -0.06 1.53 5.85 -1.74 0.43 115.31 123.86 1y9i h LEU 84 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1y9i h LEU 84 Cb 0.40 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1y9i h LEU 84 CO 0.00 0.48 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.94 1y9i h GLN 85 N 0.84 -0.03 -0.38 1.25 5.75 -1.10 -0.61 115.11 120.83 1y9i h GLN 85 Ca 0.32 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.67 1y9i h GLN 85 Cb 0.20 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1y9i h GLN 85 CO -0.11 -0.02 -0.35 -0.91 -2.65 0.00 0.00 178.83 174.79 1y9i h ASN 86 N -0.03 0.93 -0.00 -0.69 2.35 -1.67 -2.10 115.58 114.37 1y9i h ASN 86 Ca 0.04 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1y9i h ASN 86 Cb 0.09 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1y9i h ASN 86 CO -0.08 1.19 -0.00 0.40 -1.65 0.00 0.00 177.43 177.28 1y9i h ILE 87 N 0.73 0.99 -0.13 2.81 2.04 -0.68 -1.18 117.51 122.08 1y9i h ILE 87 Ca 0.07 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 1y9i h ILE 87 Cb 0.93 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1y9i h ILE 87 CO 0.09 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 178.25 1y9i h ILE 88 N -0.01 1.37 0.00 -0.67 2.04 -1.17 -1.99 117.51 117.09 1y9i h ILE 88 Ca 0.00 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1y9i h ILE 88 Cb 0.01 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1y9i h ILE 88 CO -0.00 0.50 -0.25 0.77 0.00 0.00 0.00 178.15 179.17 1y9i h SER 89 N 0.10 0.00 -0.12 1.72 4.64 -1.38 -2.26 113.55 116.25 1y9i h SER 89 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1y9i h SER 89 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1y9i h SER 89 CO 0.08 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 1y9i n ALA 90 N -2.39 2.51 -3.95 5.18 0.00 -0.45 -4.93 120.51 116.48 1y9i n ALA 90 Ca -0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.56 1y9i n ALA 90 Cb 0.33 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 0.68 -0.63 -4.58 0.00 2.03 -0.85 -4.80 116.55 108.39 1y9i n ASP 91 Ca 0.17 -0.99 -0.52 0.00 0.52 0.00 0.00 54.79 53.97 1y9i n ASP 91 Cb 0.44 -3.12 -0.06 0.00 -0.72 0.00 0.00 41.12 37.66 1y9i n ASP 91 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1y9i n GLU 92 N -4.40 1.06 0.22 -0.67 2.13 -0.78 -4.87 120.64 113.34 1y9i n GLU 92 Ca -0.28 0.38 0.07 0.00 0.66 0.00 0.00 57.16 58.00 1y9i n GLU 92 Cb 0.67 -2.01 0.61 0.00 0.27 0.00 0.00 31.44 30.98 1y9i n GLU 92 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1y9i h GLY 93 N 4.40 0.09 -1.02 8.31 0.00 -1.92 -2.30 103.07 110.63 1y9i h GLY 93 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1y9i h GLY 93 CO 0.77 0.03 0.00 1.04 0.00 0.00 0.00 176.54 178.38 1y9i n LEU 94 N -4.53 1.88 -4.56 3.11 4.77 -1.26 -4.76 117.00 111.66 1y9i n LEU 94 Ca -0.02 -0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 1y9i n LEU 94 Cb 0.09 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1y9i n LEU 94 CO 0.34 0.40 0.25 -0.47 -1.33 0.00 0.00 177.39 176.58 1y9i s TYR 95 N -1.74 3.18 -0.23 -1.77 5.04 -0.87 -4.94 117.35 116.02 1y9i s TYR 95 Ca 0.32 0.21 0.16 0.00 -2.44 0.00 0.00 57.07 55.32 1y9i s TYR 95 Cb 0.18 -2.95 0.38 0.00 0.35 0.00 0.00 41.96 39.91 1y9i s TYR 95 CO 0.26 -0.55 1.28 0.41 -1.34 0.00 0.00 175.55 175.61 1y9i n GLY 96 N 4.77 4.11 0.18 8.97 0.00 -1.26 -4.62 105.19 117.34 1y9i n GLY 96 Ca -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 1.06 1.34 -0.36 1.61 2.07 -1.98 -2.25 116.25 117.74 1y9i h VAL 97 Ca 0.00 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 65.80 1y9i h VAL 97 Cb 1.14 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1y9i h VAL 97 CO 0.11 0.47 -0.16 -2.24 0.02 0.00 0.00 177.57 175.77 1y9i h ASP 98 N 0.09 0.64 0.45 0.57 2.03 -1.89 -1.55 116.42 116.76 1y9i h ASP 98 Ca 0.00 -0.20 -0.14 0.00 -0.73 0.00 0.00 57.03 55.96 1y9i h ASP 98 Cb 0.86 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 1y9i h ASP 98 CO 0.07 0.82 -0.62 -0.33 -1.03 0.00 0.00 179.24 178.14 1y9i h GLU 99 N 0.58 0.17 -0.08 4.15 3.07 -1.81 -2.57 114.58 118.09 1y9i h GLU 99 Ca 0.10 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1y9i h GLU 99 Cb 0.61 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1y9i h GLU 99 CO 0.04 0.74 -0.02 0.82 -1.40 0.00 0.00 179.01 179.19 1y9i h ILE 100 N 0.12 1.30 -0.56 3.13 1.08 -1.03 -1.91 117.51 119.63 1y9i h ILE 100 Ca -0.01 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1y9i h ILE 100 Cb 1.12 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.62 1y9i h ILE 100 CO 0.09 0.27 0.37 0.25 -0.69 0.00 0.00 178.15 178.44 1y9i h LEU 101 N -0.18 0.64 -1.36 1.44 5.85 -1.30 -2.57 115.31 117.84 1y9i h LEU 101 Ca 0.02 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1y9i h LEU 101 Cb 0.43 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1y9i h LEU 101 CO 0.01 0.46 -0.25 0.00 -0.34 0.00 0.00 178.44 178.32 1y9i h ALA 102 N 1.21 1.47 0.00 1.25 0.00 -1.44 -2.27 119.26 119.48 1y9i h ALA 102 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1y9i h ALA 102 Cb -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1y9i h ALA 102 CO -0.05 0.39 -0.14 1.25 0.00 0.00 0.00 179.25 180.70 1y9i h LEU 103 N 0.09 0.00 -1.55 0.00 5.85 -0.92 -0.57 115.31 118.22 1y9i h LEU 103 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1y9i h LEU 103 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1y9i h LEU 103 CO 0.04 0.14 -0.21 0.77 -0.34 0.00 0.00 178.44 178.83 1y9i h SER 104 N 0.00 0.00 -0.00 1.25 4.64 -1.37 0.36 113.55 118.43 1y9i h SER 104 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1y9i h SER 104 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1y9i h SER 104 CO 0.02 0.21 -0.43 0.40 -0.87 0.00 0.00 176.83 176.15 1y9i h ILE 105 N 0.00 1.49 -0.55 0.95 2.04 -1.20 -3.27 117.51 116.97 1y9i h ILE 105 Ca -0.00 -2.02 0.03 0.00 1.00 0.00 0.00 64.86 63.87 1y9i h ILE 105 Cb 0.52 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.25 1y9i h ILE 105 CO 0.03 0.57 0.32 0.58 0.00 0.00 0.00 178.15 179.65 1y9i h VAL 106 N -0.30 1.03 -0.07 1.67 2.07 -0.95 -2.66 116.25 117.04 1y9i h VAL 106 Ca -0.05 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1y9i h VAL 106 Cb 1.17 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1y9i h VAL 106 CO 0.09 0.11 0.19 0.78 0.02 0.00 0.00 177.57 178.76 1y9i h ASN 107 N 0.63 0.00 -0.14 0.57 -0.26 -0.99 -2.06 115.58 113.33 1y9i h ASN 107 Ca 0.23 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.01 1y9i h ASN 107 Cb 0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 1y9i h ASN 107 CO -0.12 0.00 0.16 0.58 -1.06 0.00 0.00 177.43 177.00 1y9i h VAL 108 N 0.00 0.45 -0.02 2.81 2.07 -1.52 -0.98 116.25 119.06 1y9i h VAL 108 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1y9i h VAL 108 Cb 0.40 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1y9i h VAL 108 CO -0.00 0.00 -0.03 -1.22 0.02 0.00 0.00 177.57 176.34 1y9i n TYR 109 N -3.75 0.06 0.00 1.57 4.01 -0.78 -5.11 117.16 113.16 1y9i n TYR 109 Ca 0.00 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.72 1y9i n TYR 109 Cb 0.27 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.36 -0.71 0.32 2.72 0.00 -0.37 -4.60 105.19 101.18 1y9i n GLY 110 Ca 0.17 -1.69 0.21 0.00 0.00 0.00 0.00 46.02 44.70 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 0.22 1.61 4.64 -1.87 -2.67 113.55 115.48 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 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1y9i n ILE 112 N -3.18 0.83 1.00 0.95 -5.35 -1.26 -1.30 119.36 111.05 1y9i n ILE 112 Ca -0.02 0.21 0.11 0.00 -0.27 0.00 0.00 62.75 62.77 1y9i n ILE 112 Cb 0.13 -1.03 0.02 0.00 -1.74 0.00 0.00 39.64 37.01 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 -0.40 -1.08 0.33 3.28 0.00 -1.00 -4.55 105.19 101.77 1y9i n GLY 113 Ca 0.05 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 0.03 -0.86 -0.54 1.61 0.04 -1.39 -2.21 116.94 113.63 1y9i h PHE 114 Ca 0.00 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1y9i h PHE 114 Cb 0.50 0.40 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1y9i h PHE 114 CO 0.00 -0.39 0.14 1.79 -0.60 0.00 0.00 178.31 179.25 1y9i h THR 115 N -0.39 1.22 -0.09 -1.55 1.35 -1.80 -2.45 112.91 109.20 1y9i h THR 115 Ca 0.10 -0.78 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 1y9i h THR 115 Cb 0.54 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1y9i h THR 115 CO -0.34 0.29 -0.32 0.78 -0.25 0.00 0.00 175.52 175.68 1y9i h ASN 116 N 0.79 0.17 0.02 5.36 2.35 -1.78 -0.32 115.58 122.18 1y9i h ASN 116 Ca 0.18 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1y9i h ASN 116 Cb 0.27 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1y9i h ASN 116 CO -0.00 0.49 -0.01 0.22 -1.65 0.00 0.00 177.43 176.47 1y9i h TYR 117 N 0.15 -0.03 -0.26 1.19 3.20 -0.95 -1.30 116.97 118.97 1y9i h TYR 117 Ca 0.02 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1y9i h TYR 117 Cb 0.64 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1y9i h TYR 117 CO 0.01 0.16 0.03 0.78 -1.64 0.00 0.00 178.16 177.49 1y9i h GLY 118 N -0.21 0.48 0.83 1.82 0.00 -1.25 -2.63 103.07 102.11 1y9i h GLY 118 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.02 1y9i h GLY 118 CO 0.01 0.31 0.12 -1.82 0.00 0.00 0.00 176.54 175.15 1y9i h TYR 119 N 0.24 0.22 -0.01 5.60 3.20 -1.04 -2.53 116.97 122.65 1y9i h TYR 119 Ca 0.08 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1y9i h TYR 119 Cb 0.36 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1y9i h TYR 119 CO 0.03 0.11 -0.40 0.97 -1.64 0.00 0.00 178.16 177.23 1y9i h ILE 120 N 0.26 1.29 -0.05 1.81 2.10 -1.25 -2.07 117.51 119.60 1y9i h ILE 120 Ca 0.12 -1.40 -0.07 0.00 1.08 0.00 0.00 64.86 64.59 1y9i h ILE 120 Cb 0.06 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1y9i h ILE 120 CO -0.10 0.40 -0.27 -0.78 -1.08 0.00 0.00 178.15 176.32 1y9i h ASP 121 N 0.02 0.09 0.15 2.19 3.58 -1.07 0.83 116.42 122.21 1y9i h ASP 121 Ca -0.00 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.23 1y9i h ASP 121 Cb 0.72 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.77 1y9i h ASP 121 CO 0.05 0.37 -0.87 0.11 -2.88 0.00 0.00 179.24 176.02 1y9i h LYS 122 N 0.09 0.31 -0.03 0.28 1.79 -1.07 -3.35 116.57 114.58 1y9i h LYS 122 Ca 0.01 -0.53 -0.18 0.00 -2.18 0.00 0.00 60.65 57.78 1y9i h LYS 122 Cb 0.53 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1y9i h LYS 122 CO 0.04 1.25 -0.76 0.28 -1.08 0.00 0.00 179.45 179.18 1y9i h VAL 123 N -0.34 1.45 -6.56 0.50 2.07 -1.34 -3.48 116.25 108.54 1y9i h VAL 123 Ca -0.15 -2.34 -0.51 0.00 0.82 0.00 0.00 66.70 64.51 1y9i h VAL 123 Cb 1.67 2.26 0.02 0.00 -1.52 0.00 0.00 31.29 33.73 1y9i h VAL 123 CO 0.16 0.69 -0.96 0.29 0.02 0.00 0.00 177.57 177.76 1y9i n LYS 124 N -3.75 -1.04 -1.84 1.57 5.02 0.28 -4.96 118.16 113.43 1y9i n LYS 124 Ca -0.03 0.29 -0.30 0.00 -2.02 0.00 0.00 58.31 56.26 1y9i n LYS 124 Cb 0.72 -3.54 0.07 0.00 -0.02 0.00 0.00 35.03 32.27 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 -6.65 2.29 2.23 1.97 0.04 -1.26 -3.18 135.00 130.44 1y9i s PRO 125 Ca 0.42 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1y9i s PRO 125 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1y9i s PRO 125 CO 0.91 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1y9i n GLY 126 N -3.02 2.85 0.39 0.56 0.00 -1.26 -1.75 105.19 102.97 1y9i n GLY 126 Ca 0.07 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 0.64 0.00 -0.61 6.09 -1.90 -0.35 117.51 121.38 1y9i h ILE 127 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1y9i h ILE 127 Cb 0.00 0.70 -0.00 0.00 0.47 0.00 0.00 36.82 37.99 1y9i h ILE 127 CO 0.00 0.00 -0.11 -0.07 -3.07 0.00 0.00 178.15 174.90 1y9i h LEU 128 N 0.00 0.00 -0.49 2.19 3.38 -1.59 -1.54 115.31 117.27 1y9i h LEU 128 Ca 0.26 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1y9i h LEU 128 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1y9i h LEU 128 CO -0.00 0.11 -0.53 0.00 0.09 0.00 0.00 178.44 178.11 1y9i h ALA 129 N 1.89 0.66 0.00 1.53 0.00 -1.01 -2.83 119.26 119.50 1y9i h ALA 129 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1y9i h ALA 129 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y9i h ALA 129 CO 0.01 0.68 -0.27 0.87 0.00 0.00 0.00 179.25 180.55 1y9i h LYS 130 N 0.49 0.00 -0.00 0.00 1.57 -1.36 -2.40 116.57 114.86 1y9i h LYS 130 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y9i h LYS 130 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1y9i h LYS 130 CO 0.10 0.27 -0.23 1.28 -0.57 0.00 0.00 179.45 180.30 1y9i n LEU 131 N -3.57 0.70 -1.70 2.94 4.77 -0.97 -4.04 117.00 115.14 1y9i n LEU 131 Ca -0.01 -0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.71 1y9i n LEU 131 Cb 0.41 -0.18 0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1y9i n LEU 131 CO 0.34 0.14 0.80 -3.20 -1.33 0.00 0.00 177.39 174.14 1y9i n ASN 132 N -0.93 4.15 0.05 -1.43 5.15 -0.90 -4.65 115.26 116.70 1y9i n ASN 132 Ca 0.12 -3.77 -0.12 0.00 -0.60 0.00 0.00 54.58 50.21 1y9i n ASN 132 Cb 0.32 -0.66 -0.14 0.00 -0.53 0.00 0.00 39.78 38.77 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 1.45 0.13 -6.19 1.20 5.08 -1.70 -3.49 114.58 111.06 1y9i h GLU 133 Ca 0.38 -0.22 -0.44 0.00 -1.00 0.00 0.00 59.36 58.08 1y9i h GLU 133 Cb 1.61 0.08 0.03 0.00 0.50 0.00 0.00 28.75 30.97 1y9i h GLU 133 CO 0.79 0.97 -0.86 0.72 -1.00 0.00 0.00 179.01 179.63 1y9i n HIS 134 N -3.35 -1.85 0.81 4.33 8.25 -1.26 -4.84 115.22 117.31 1y9i n HIS 134 Ca -0.11 0.78 0.08 0.00 -0.26 0.00 0.00 57.72 58.20 1y9i n HIS 134 Cb 1.01 -4.12 0.42 0.00 1.12 0.00 0.00 29.99 28.42 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 -3.01 0.00 0.00 0.41 5.68 -1.26 -4.85 116.55 113.53 1y9i n ASP 135 Ca -0.28 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.92 1y9i n ASP 135 Cb 0.67 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.03 1.29 0.38 6.12 0.00 -1.26 -4.83 105.19 106.92 1y9i n GLY 136 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1y9i n GLY 136 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1y9i n ILE 137 N -2.00 0.40 -3.14 -0.61 -5.35 -1.26 -5.02 119.36 102.38 1y9i n ILE 137 Ca 0.00 -0.13 -0.39 0.00 -0.27 0.00 0.00 62.75 61.96 1y9i n ILE 137 Cb 0.00 -1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 36.70 1y9i n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1y9i s ALA 138 N -2.14 3.52 -0.13 -1.28 0.00 -1.26 -4.78 121.76 115.70 1y9i s ALA 138 Ca -0.10 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1y9i s ALA 138 Cb 0.03 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1y9i s ALA 138 CO 0.15 0.33 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 1y9i s VAL 139 N -1.04 1.81 -0.08 0.00 1.01 -1.26 -4.58 120.40 116.26 1y9i s VAL 139 Ca 0.32 -0.83 0.21 0.00 0.00 0.00 0.00 61.98 61.68 1y9i s VAL 139 Cb -0.21 -1.62 0.43 0.00 0.00 0.00 0.00 36.38 34.98 1y9i s VAL 139 CO 0.22 0.50 1.18 1.41 0.00 0.00 0.00 175.10 178.41 1y9i n HIS 140 N 4.14 0.11 -0.28 5.22 8.25 -1.26 -4.71 115.22 126.69 1y9i n HIS 140 Ca -0.19 -0.91 0.06 0.00 -0.26 0.00 0.00 57.72 56.41 1y9i n HIS 140 Cb 0.51 -0.19 0.20 0.00 1.12 0.00 0.00 29.99 31.63 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 4.98 0.74 0.07 1.59 2.02 -1.90 -1.46 112.91 118.95 1y9i h THR 141 Ca -0.14 -0.20 -0.34 0.00 0.77 0.00 0.00 66.41 66.49 1y9i h THR 141 Cb 1.59 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1y9i h THR 141 CO 0.09 0.11 -1.95 0.49 0.37 0.00 0.00 175.52 174.62 1y9i n PHE 142 N -4.89 1.05 -0.08 3.16 3.72 -1.26 -4.37 117.46 114.79 1y9i n PHE 142 Ca 0.15 0.27 -0.01 0.00 -0.05 0.00 0.00 57.45 57.81 1y9i n PHE 142 Cb 0.40 -1.16 0.25 0.00 -0.94 0.00 0.00 39.48 38.03 1y9i n PHE 142 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1y9i h LEU 143 N 0.04 0.66 -0.68 4.37 5.85 -1.79 -1.81 115.31 121.95 1y9i h LEU 143 Ca -0.39 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1y9i h LEU 143 Cb 2.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1y9i h LEU 143 CO 0.07 0.65 0.39 -2.24 -0.34 0.00 0.00 178.44 176.98 1y9i h ASP 144 N 0.70 0.84 -0.53 1.25 3.04 -1.47 -0.69 116.42 119.56 1y9i h ASP 144 Ca 0.16 -0.08 -0.09 0.00 -3.24 0.00 0.00 57.03 53.77 1y9i h ASP 144 Cb 0.25 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.31 1y9i h ASP 144 CO -0.00 0.67 -0.03 0.44 -2.04 0.00 0.00 179.24 178.28 1y9i h ASP 145 N 0.93 0.94 -0.31 4.15 3.32 -1.72 -2.02 116.42 121.72 1y9i h ASP 145 Ca 0.24 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1y9i h ASP 145 Cb 0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1y9i h ASP 145 CO -0.04 1.04 0.16 0.40 -1.72 0.00 0.00 179.24 179.08 1y9i h ILE 146 N 0.82 1.01 -0.31 0.35 2.04 -0.92 0.13 117.51 120.63 1y9i h ILE 146 Ca 0.15 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1y9i h ILE 146 Cb 0.57 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1y9i h ILE 146 CO 0.03 0.06 0.05 0.58 0.00 0.00 0.00 178.15 178.88 1y9i h VAL 147 N 0.34 1.23 -0.82 1.67 2.07 -1.07 -0.22 116.25 119.44 1y9i h VAL 147 Ca 0.13 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1y9i h VAL 147 Cb 0.03 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1y9i h VAL 147 CO -0.08 0.26 0.44 1.23 0.02 0.00 0.00 177.57 179.44 1y9i h GLY 148 N 0.33 1.23 1.18 2.17 0.00 -1.17 -1.90 103.07 104.92 1y9i h GLY 148 Ca 0.09 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 1y9i h GLY 148 CO 0.00 0.54 -0.29 0.00 0.00 0.00 0.00 176.54 176.79 1y9i h ALA 149 N 1.33 0.69 -0.77 3.60 0.00 -0.47 -1.17 119.26 122.47 1y9i h ALA 149 Ca 0.29 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1y9i h ALA 149 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1y9i h ALA 149 CO -0.04 0.67 0.27 0.82 0.00 0.00 0.00 179.25 180.97 1y9i h ILE 150 N 0.78 1.26 -0.30 0.00 2.04 -0.78 0.96 117.51 121.46 1y9i h ILE 150 Ca 0.09 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1y9i h ILE 150 Cb 0.86 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1y9i h ILE 150 CO 0.08 0.35 0.12 0.00 0.00 0.00 0.00 178.15 178.70 1y9i h ALA 151 N 1.14 0.39 -0.69 1.87 0.00 -1.14 -0.17 119.26 120.66 1y9i h ALA 151 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1y9i h ALA 151 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1y9i h ALA 151 CO -0.01 -0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.38 1y9i h ALA 152 N 0.97 0.92 -0.46 0.00 0.00 -0.95 0.12 119.26 119.85 1y9i h ALA 152 Ca 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1y9i h ALA 152 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1y9i h ALA 152 CO -0.01 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.95 1y9i h ALA 153 N 1.08 0.61 -0.75 0.00 0.00 -0.65 -1.21 119.26 118.34 1y9i h ALA 153 Ca 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1y9i h ALA 153 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1y9i h ALA 153 CO 0.00 0.34 0.25 0.00 0.00 0.00 0.00 179.25 179.85 1y9i h ALA 154 N 0.95 1.03 -0.34 0.00 0.00 -0.74 -0.73 119.26 119.43 1y9i h ALA 154 Ca 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1y9i h ALA 154 Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1y9i h ALA 154 CO 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.88 1y9i h ALA 155 N 1.16 1.31 -0.26 0.00 0.00 -0.52 -1.56 119.26 119.40 1y9i h ALA 155 Ca 0.24 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1y9i h ALA 155 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y9i h ALA 155 CO -0.01 0.47 -0.28 1.03 0.00 0.00 0.00 179.25 180.46 1y9i h SER 156 N 0.51 0.69 -0.91 0.00 0.87 -0.60 -1.04 113.55 113.07 1y9i h SER 156 Ca 0.11 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1y9i h SER 156 Cb 0.39 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 1y9i h SER 156 CO 0.02 1.03 0.55 -0.09 -0.53 0.00 0.00 176.83 177.81 1y9i h ARG 157 N 0.36 1.23 -0.24 2.24 2.43 -0.89 -1.42 114.38 118.10 1y9i h ARG 157 Ca 0.04 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1y9i h ARG 157 Cb 0.85 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1y9i h ARG 157 CO 0.07 0.86 0.13 1.25 -1.51 0.00 0.00 179.97 180.77 1y9i h LEU 158 N 1.25 0.29 -0.72 3.80 6.46 -1.16 -1.13 115.31 124.11 1y9i h LEU 158 Ca 0.33 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 1y9i h LEU 158 Cb -0.06 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 39.73 1y9i h LEU 158 CO -0.06 0.28 0.37 0.00 -0.62 0.00 0.00 178.44 178.41 1y9i h ALA 159 N 1.02 0.99 0.00 1.25 0.00 -0.58 0.81 119.26 122.76 1y9i h ALA 159 Ca 0.08 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1y9i h ALA 159 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y9i h ALA 159 CO -0.01 -0.03 -0.17 0.45 0.00 0.00 0.00 179.25 179.48 1y9i h HIS 160 N 0.62 0.00 0.00 0.00 3.86 -0.87 -2.93 115.15 115.83 1y9i h HIS 160 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1y9i h HIS 160 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1y9i h HIS 160 CO -0.10 0.17 0.00 0.43 0.86 0.00 0.00 177.93 179.29 1y9i n SER 161 N -3.52 0.00 -0.46 2.45 7.64 0.28 0.26 113.62 120.28 1y9i n SER 161 Ca -0.01 -0.04 0.07 0.00 1.01 0.00 0.00 58.87 59.89 1y9i n SER 161 Cb 0.33 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1y9i n SER 161 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1y9i n TYR 162 N -1.11 0.00 0.00 1.43 4.02 -1.11 -4.65 117.16 115.75 1y9i n TYR 162 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1y9i n TYR 162 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1y9i n TYR 162 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1y9i n HIS 163 N 0.45 0.00 0.14 -0.72 8.25 -0.65 -5.19 115.22 117.50 1y9i n HIS 163 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1y9i n HIS 163 Cb 0.31 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 1y9i n HIS 163 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73