#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1r s PHE 7 N 0.00 2.10 -1.28 -1.84 5.99 -1.26 -4.93 117.98 116.76 1i1r s PHE 7 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 56.93 57.39 1i1r s PHE 7 Cb 0.00 -4.28 0.14 0.00 0.00 0.00 0.00 43.02 38.88 1i1r s PHE 7 CO 0.00 -2.22 1.72 0.39 -0.00 0.00 0.00 175.22 175.11 1i1r n GLU 8 N 8.62 3.38 -0.14 10.12 1.02 -1.26 -4.82 120.64 137.57 1i1r n GLU 8 Ca 0.16 -3.52 -0.08 0.00 -0.02 0.00 0.00 57.16 53.70 1i1r n GLU 8 Cb 0.49 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1i1r n GLU 8 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i1r h LYS 9 N 6.58 0.57 -0.52 3.49 1.57 -1.95 -1.69 116.57 124.62 1i1r h LYS 9 Ca 0.39 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.20 1i1r h LYS 9 Cb 0.76 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 1i1r h LYS 9 CO 1.48 0.40 0.18 -0.44 -0.57 0.00 0.00 179.45 180.49 1i1r h ASP 10 N 0.57 0.16 -0.68 0.86 3.45 -1.94 0.14 116.42 118.97 1i1r h ASP 10 Ca 0.15 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.61 1i1r h ASP 10 Cb -0.03 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.77 1i1r h ASP 10 CO -0.03 0.11 0.13 0.25 -1.57 0.00 0.00 179.24 178.14 1i1r h LEU 11 N 0.35 1.07 -1.24 1.55 5.85 -1.92 -1.31 115.31 119.66 1i1r h LEU 11 Ca 0.26 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1i1r h LEU 11 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1i1r h LEU 11 CO -0.27 1.04 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.71 1i1r h LEU 12 N 1.05 0.39 -0.73 2.25 3.38 -0.35 -2.21 115.31 119.10 1i1r h LEU 12 Ca 0.21 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1i1r h LEU 12 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1i1r h LEU 12 CO 0.01 0.53 -0.31 0.40 0.09 0.00 0.00 178.44 179.16 1i1r h ILE 13 N 0.39 1.28 -0.23 1.22 2.04 -0.06 -0.84 117.51 121.31 1i1r h ILE 13 Ca 0.08 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 1i1r h ILE 13 Cb 0.40 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1i1r h ILE 13 CO 0.02 0.46 -0.06 1.56 0.00 0.00 0.00 178.15 180.13 1i1r h GLN 14 N 0.54 0.35 -0.19 2.37 4.20 -0.67 -0.13 115.11 121.58 1i1r h GLN 14 Ca 0.06 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 1i1r h GLN 14 Cb 0.80 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1i1r h GLN 14 CO 0.07 0.44 -0.65 0.00 -0.67 0.00 0.00 178.83 178.01 1i1r h ARG 15 N 0.34 0.78 -0.74 1.46 3.08 -0.97 -1.78 114.38 116.54 1i1r h ARG 15 Ca 0.07 -0.58 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1i1r h ARG 15 Cb 0.33 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1i1r h ARG 15 CO 0.01 1.20 0.22 -0.07 -1.07 0.00 0.00 179.97 180.26 1i1r h LEU 16 N 0.51 1.08 -0.68 3.04 3.38 -0.61 0.62 115.31 122.66 1i1r h LEU 16 Ca -0.03 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1i1r h LEU 16 Cb 1.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1i1r h LEU 16 CO 0.14 1.01 -0.49 0.78 0.09 0.00 0.00 178.44 179.96 1i1r h ASN 17 N 1.10 0.45 -0.11 -0.43 2.35 -1.01 0.45 115.58 118.39 1i1r h ASN 17 Ca 0.24 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1i1r h ASN 17 Cb 0.32 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1i1r h ASN 17 CO -0.01 0.87 0.01 -0.25 -1.65 0.00 0.00 177.43 176.41 1i1r h TRP 18 N 0.33 0.20 -0.63 1.19 7.01 -1.06 0.45 115.95 123.44 1i1r h TRP 18 Ca 0.02 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1i1r h TRP 18 Cb 0.99 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.94 1i1r h TRP 18 CO 0.03 0.40 0.35 1.98 -2.79 0.00 0.00 178.44 178.41 1i1r h MET 19 N -0.06 0.64 -0.80 2.65 4.05 -0.55 -0.71 114.93 120.15 1i1r h MET 19 Ca 0.03 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1i1r h MET 19 Cb 0.31 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1i1r h MET 19 CO 0.00 0.42 0.50 -0.07 0.23 0.00 0.00 176.91 177.99 1i1r h LEU 20 N 0.66 0.96 0.05 3.39 3.38 0.15 -0.74 115.31 123.17 1i1r h LEU 20 Ca 0.28 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1i1r h LEU 20 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1i1r h LEU 20 CO -0.17 0.73 -0.17 -0.25 0.09 0.00 0.00 178.44 178.67 1i1r h TRP 21 N 1.10 -0.45 -0.93 1.13 2.91 0.48 0.11 115.95 120.30 1i1r h TRP 21 Ca 0.29 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.34 1i1r h TRP 21 Cb -0.06 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.73 1i1r h TRP 21 CO -0.01 -0.25 0.62 0.28 -1.03 0.00 0.00 178.44 178.05 1i1r h VAL 22 N -0.31 1.22 0.04 2.65 2.07 -0.97 -0.65 116.25 120.31 1i1r h VAL 22 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1i1r h VAL 22 Cb 0.35 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1i1r h VAL 22 CO -0.13 0.23 -0.16 0.40 0.02 0.00 0.00 177.57 177.93 1i1r h ILE 23 N 1.25 0.62 -1.00 4.57 1.08 -0.53 -0.95 117.51 122.55 1i1r h ILE 23 Ca 0.35 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.87 1i1r h ILE 23 Cb -0.12 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 34.19 1i1r h ILE 23 CO -0.08 0.00 0.65 -0.78 -0.69 0.00 0.00 178.15 177.25 1i1r h ASP 24 N -0.28 1.05 0.32 1.72 1.82 -0.23 -1.15 116.42 119.67 1i1r h ASP 24 Ca 0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 1i1r h ASP 24 Cb 0.33 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1i1r h ASP 24 CO -0.12 0.69 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.62 1i1r h GLU 25 N 1.20 0.00 -0.16 0.28 5.08 -0.32 -1.42 114.58 119.25 1i1r h GLU 25 Ca 0.42 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.59 1i1r h GLU 25 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1i1r h GLU 25 CO -0.16 0.25 -0.64 0.00 -1.00 0.00 0.00 179.01 177.46 1i1r h PHE 27 N 0.42 -0.15 -0.45 0.00 0.05 -0.95 0.56 116.94 116.41 1i1r h PHE 27 Ca -0.03 -0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.78 1i1r h PHE 27 Cb 1.27 0.06 -0.03 0.00 2.00 0.00 0.00 35.95 39.24 1i1r h PHE 27 CO 0.09 -0.10 0.26 0.00 -0.18 0.00 0.00 178.31 178.39 1i1r h ARG 28 N -0.15 0.51 -0.54 1.51 3.08 -1.27 0.44 114.38 117.96 1i1r h ARG 28 Ca -0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1i1r h ARG 28 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1i1r h ARG 28 CO -0.00 0.34 0.20 0.22 -1.07 0.00 0.00 179.97 179.66 1i1r h ASP 29 N 0.53 0.76 -0.43 7.04 3.58 -0.67 0.98 116.42 128.21 1i1r h ASP 29 Ca 0.18 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1i1r h ASP 29 Cb 0.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1i1r h ASP 29 CO -0.09 0.74 0.15 0.25 -2.88 0.00 0.00 179.24 177.41 1i1r h LEU 30 N 0.74 0.62 -0.84 2.28 7.12 0.65 -1.63 115.31 124.24 1i1r h LEU 30 Ca 0.18 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1i1r h LEU 30 Cb 0.23 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.16 1i1r h LEU 30 CO -0.01 0.64 0.45 0.00 -0.13 0.00 0.00 178.44 179.38 1i1r h TYR 32 N 1.18 -0.25 0.00 0.00 5.03 -0.45 0.60 116.97 123.07 1i1r h TYR 32 Ca 0.29 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1i1r h TYR 32 Cb 0.05 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1i1r h TYR 32 CO 0.01 0.07 -0.11 0.00 -1.32 0.00 0.00 178.16 176.80 1i1r h ARG 33 N -0.57 0.00 0.00 1.82 3.08 -1.30 -3.39 114.38 114.02 1i1r h ARG 33 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1i1r h ARG 33 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1i1r h ARG 33 CO 0.04 0.11 -1.49 2.41 -1.07 0.00 0.00 179.97 179.97 1i1r n THR 34 N -3.13 0.44 0.00 2.04 -1.04 0.38 -5.01 114.28 107.96 1i1r n THR 34 Ca 0.03 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1i1r n THR 34 Cb 0.56 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 1i1r n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i1r n GLY 35 N 2.47 3.28 3.55 3.41 0.00 0.20 -4.98 105.19 113.12 1i1r n GLY 35 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1i1r n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1r s ILE 36 N -2.40 3.51 0.02 -0.61 1.01 -1.26 -4.66 121.20 116.81 1i1r s ILE 36 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.97 1i1r s ILE 36 Cb 0.00 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1i1r s ILE 36 CO 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 174.94 173.39 1i1r n LYS 38 N 1.97 1.47 -1.23 0.00 3.00 -1.26 -2.04 118.16 120.07 1i1r n LYS 38 Ca -0.17 0.52 -0.08 0.00 -0.00 0.00 0.00 58.31 58.59 1i1r n LYS 38 Cb 0.52 -2.35 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 1i1r n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i1r n GLY 39 N 4.74 0.78 0.00 3.14 0.00 -1.26 -4.72 105.19 107.87 1i1r n GLY 39 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1i1r n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i1r n ILE 40 N -2.24 0.00 -3.02 -0.61 5.41 -0.87 -4.97 119.36 113.06 1i1r n ILE 40 Ca -0.08 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.68 1i1r n ILE 40 Cb 0.52 -0.65 -0.00 0.00 -0.71 0.00 0.00 39.64 38.81 1i1r n ILE 40 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1i1r s LEU 41 N -3.79 -1.15 0.40 1.39 2.96 -0.94 -4.97 118.68 112.59 1i1r s LEU 41 Ca 0.00 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 1i1r s LEU 41 Cb 0.00 1.48 -0.01 0.00 0.50 0.00 0.00 46.19 48.16 1i1r s LEU 41 CO 0.00 -0.12 0.60 -1.61 -1.32 0.00 0.00 176.35 173.90 1i1r s GLU 42 N 1.75 3.12 0.54 1.98 2.02 -1.25 -1.93 118.70 124.92 1i1r s GLU 42 Ca 0.17 -0.64 -0.21 0.00 0.02 0.00 0.00 54.97 54.32 1i1r s GLU 42 Cb -0.01 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 1i1r s GLU 42 CO -0.09 -0.13 1.20 -1.25 0.02 0.00 0.00 175.26 175.01 1i1r s PRO 43 N -4.41 3.31 -0.86 0.39 0.04 -1.26 -4.96 135.00 127.25 1i1r s PRO 43 Ca 0.46 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 1i1r s PRO 43 Cb -0.10 -2.14 0.22 0.00 0.04 0.00 0.00 34.50 32.53 1i1r s PRO 43 CO 0.36 -0.93 0.80 0.00 0.04 0.00 0.00 177.00 177.26 1i1r s ALA 44 N -1.57 4.16 0.15 8.56 0.00 -1.26 -4.99 121.76 126.82 1i1r s ALA 44 Ca 0.71 -3.46 -0.16 0.00 0.00 0.00 0.00 51.96 49.05 1i1r s ALA 44 Cb -0.30 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1i1r s ALA 44 CO 0.35 -2.23 0.43 0.00 0.00 0.00 0.00 175.76 174.31 1i1r s ALA 45 N -0.27 -0.87 -0.42 0.00 0.00 -1.26 -5.12 121.76 113.81 1i1r s ALA 45 Ca 0.21 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 1i1r s ALA 45 Cb -0.11 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1i1r s ALA 45 CO -0.08 -0.70 0.85 0.42 0.00 0.00 0.00 175.76 176.25 1i1r s ILE 46 N -3.84 4.60 0.13 0.00 1.01 -1.26 -5.00 121.20 116.84 1i1r s ILE 46 Ca 0.06 0.74 -0.31 0.00 0.00 0.00 0.00 60.65 61.14 1i1r s ILE 46 Cb 0.01 -4.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1i1r s ILE 46 CO -0.08 -0.67 1.85 0.12 0.00 0.00 0.00 174.94 176.16 1i1r s PHE 47 N 3.43 2.10 0.00 3.97 5.99 -1.26 -4.86 117.98 127.35 1i1r s PHE 47 Ca 0.34 -0.06 0.08 0.00 0.00 0.00 0.00 56.93 57.28 1i1r s PHE 47 Cb -0.12 -4.20 0.13 0.00 0.00 0.00 0.00 43.02 38.83 1i1r s PHE 47 CO 0.22 -4.97 0.95 1.58 -0.00 0.00 0.00 175.22 173.00 1i1r n HIS 48 N 5.73 0.00 -3.97 10.12 -0.00 -1.26 -5.09 115.22 120.75 1i1r n HIS 48 Ca 0.18 -0.24 -0.16 0.00 0.46 0.00 0.00 57.72 57.97 1i1r n HIS 48 Cb 0.38 0.08 -0.15 0.00 -0.12 0.00 0.00 29.99 30.18 1i1r n HIS 48 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1i1r s LEU 49 N 0.00 1.56 0.15 0.27 0.20 -1.26 -5.11 118.68 114.48 1i1r s LEU 49 Ca 0.10 -0.04 -0.31 0.00 0.69 0.00 0.00 54.13 54.57 1i1r s LEU 49 Cb 0.11 -0.18 -0.10 0.00 -0.43 0.00 0.00 46.19 45.59 1i1r s LEU 49 CO -0.05 -0.04 1.69 -1.59 -0.29 0.00 0.00 176.35 176.08 1i1r s LYS 50 N 0.51 4.17 -0.02 1.98 -2.85 -1.26 -5.00 119.74 117.27 1i1r s LYS 50 Ca -0.05 2.48 0.04 0.00 -1.00 0.00 0.00 55.97 57.45 1i1r s LYS 50 Cb -0.08 -3.33 -0.01 0.00 -2.06 0.00 0.00 37.83 32.35 1i1r s LYS 50 CO -0.01 -0.73 -0.15 -0.51 0.10 0.00 0.00 175.35 174.05 1i1r s LEU 51 N 1.84 2.00 0.28 2.77 1.43 -1.26 -5.10 118.68 120.64 1i1r s LEU 51 Ca 0.75 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 1i1r s LEU 51 Cb -0.45 -0.77 -0.14 0.00 0.03 0.00 0.00 46.19 44.86 1i1r s LEU 51 CO 0.33 0.17 1.04 -0.81 0.23 0.00 0.00 176.35 177.31 1i1r n PRO 52 N 2.81 1.37 -3.63 1.29 -0.04 -1.26 -4.97 135.00 130.56 1i1r n PRO 52 Ca -0.15 0.48 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1i1r n PRO 52 Cb 0.55 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 1i1r n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i1r s ALA 53 N -0.95 -1.85 0.05 0.55 0.00 -1.26 -4.85 121.76 113.46 1i1r s ALA 53 Ca 0.60 2.19 -0.31 0.00 0.00 0.00 0.00 51.96 54.44 1i1r s ALA 53 Cb -0.71 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1i1r s ALA 53 CO 0.59 -0.35 1.43 0.42 0.00 0.00 0.00 175.76 177.85 1i1r s ILE 54 N 0.90 3.47 0.56 0.00 -1.09 -1.26 -5.02 121.20 118.76 1i1r s ILE 54 Ca -0.04 0.95 0.08 0.00 -2.23 0.00 0.00 60.65 59.41 1i1r s ILE 54 Cb -0.05 -3.61 0.07 0.00 -1.58 0.00 0.00 42.46 37.29 1i1r s ILE 54 CO -0.08 0.03 0.61 0.20 -1.23 0.00 0.00 174.94 174.47 1i1r s ASN 55 N 1.67 4.88 0.36 3.58 0.01 -1.26 -5.00 114.94 119.18 1i1r s ASN 55 Ca 0.66 -1.04 0.21 0.00 -0.71 0.00 0.00 52.86 51.98 1i1r s ASN 55 Cb -0.35 0.37 0.22 0.00 0.41 0.00 0.00 41.25 41.90 1i1r s ASN 55 CO 0.29 -1.24 1.46 0.44 -1.51 0.00 0.00 177.10 176.54 1i1r h ASP 56 N 0.44 0.00 0.67 -1.22 3.32 -2.00 -2.86 116.42 114.77 1i1r h ASP 56 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1i1r h ASP 56 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1i1r h ASP 56 CO 0.48 0.11 0.00 0.35 -1.72 0.00 0.00 179.24 178.47 1i1r n THR 57 N -3.05 0.84 1.17 0.35 -2.24 -1.26 -0.88 114.28 109.21 1i1r n THR 57 Ca 0.02 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1i1r n THR 57 Cb 0.58 -1.22 0.30 0.00 -2.10 0.00 0.00 70.33 67.89 1i1r n THR 57 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i1r n ASP 58 N -2.27 1.01 -3.80 3.42 10.43 -1.08 -4.98 116.55 119.29 1i1r n ASP 58 Ca 0.02 -0.83 -0.26 0.00 2.57 0.00 0.00 54.79 56.29 1i1r n ASP 58 Cb 0.21 0.22 0.00 0.00 1.84 0.00 0.00 41.12 43.39 1i1r n ASP 58 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1i1r n HIS 59 N -0.79 -2.01 0.26 1.24 8.25 -0.06 -2.61 115.22 119.50 1i1r n HIS 59 Ca 0.10 0.78 0.03 0.00 -0.26 0.00 0.00 57.72 58.37 1i1r n HIS 59 Cb 0.36 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.66 1i1r n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i1r s GLY 61 N -0.97 1.72 0.47 0.00 0.00 -1.26 -4.85 107.32 102.43 1i1r s GLY 61 Ca 0.05 -1.16 0.19 0.00 0.00 0.00 0.00 44.72 43.80 1i1r s GLY 61 CO 0.14 -0.60 1.96 1.41 0.00 0.00 0.00 173.10 176.01 1i1r h LEU 62 N -0.93 0.24 -8.69 0.66 3.38 -2.00 -3.20 115.31 104.77 1i1r h LEU 62 Ca -0.43 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 56.89 1i1r h LEU 62 Cb 1.28 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.79 1i1r h LEU 62 CO 0.50 0.13 -0.53 -0.63 0.09 0.00 0.00 178.44 178.00 1i1r s ILE 63 N -5.25 4.95 0.00 1.22 1.01 -1.26 -4.20 121.20 117.66 1i1r s ILE 63 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1i1r s ILE 63 Cb 0.20 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1i1r s ILE 63 CO 0.75 0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.41 1i1r n GLY 64 N 5.03 0.72 3.70 6.18 0.00 -1.26 -4.91 105.19 114.65 1i1r n GLY 64 Ca -0.14 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1i1r n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i1r s PHE 65 N -2.00 2.02 0.00 1.61 5.36 -1.21 -4.74 117.98 119.03 1i1r s PHE 65 Ca 0.00 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 1i1r s PHE 65 Cb 0.00 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 1i1r s PHE 65 CO 0.00 -2.46 0.00 0.27 -1.46 0.00 0.00 175.22 171.57 1i1r n ASN 66 N -3.98 0.00 -0.33 6.13 0.23 -1.22 -5.03 115.26 111.05 1i1r n ASN 66 Ca 0.10 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.28 1i1r n ASN 66 Cb 0.53 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.51 1i1r n ASN 66 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1i1r h GLU 67 N 0.00 0.04 0.00 -3.83 5.08 -1.96 -2.77 114.58 111.13 1i1r h GLU 67 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1r h GLU 67 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1i1r h GLU 67 CO 0.00 0.02 0.00 2.41 -1.00 0.00 0.00 179.01 180.44 1i1r n THR 68 N -5.45 0.00 -0.31 1.13 -1.04 -1.26 0.02 114.28 107.38 1i1r n THR 68 Ca 0.22 1.05 -0.03 0.00 -2.04 0.00 0.00 64.05 63.25 1i1r n THR 68 Cb 0.72 -1.50 0.09 0.00 -1.82 0.00 0.00 70.33 67.83 1i1r n THR 68 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1i1r h SER 69 N 0.00 0.94 0.05 8.00 0.87 -1.79 -3.03 113.55 118.60 1i1r h SER 69 Ca 0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1i1r h SER 69 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1i1r h SER 69 CO 0.00 0.67 -0.03 0.00 -0.53 0.00 0.00 176.83 176.94 1i1r h LEU 71 N -0.71 0.41 -0.74 0.00 4.07 -0.48 0.23 115.31 118.07 1i1r h LEU 71 Ca -0.01 0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.04 1i1r h LEU 71 Cb 0.60 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 1i1r h LEU 71 CO 0.01 0.19 0.44 0.50 -1.08 0.00 0.00 178.44 178.49 1i1r h LYS 72 N 0.42 0.78 -0.12 1.13 3.11 -1.51 0.88 116.57 121.26 1i1r h LYS 72 Ca 0.43 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 58.14 1i1r h LYS 72 Cb 1.02 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 1i1r h LYS 72 CO -0.15 0.52 -0.23 -0.22 -2.81 0.00 0.00 179.45 176.55 1i1r h LYS 73 N 0.80 0.36 -0.20 1.90 1.63 -0.53 -1.75 116.57 118.78 1i1r h LYS 73 Ca 0.33 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1i1r h LYS 73 Cb 0.17 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1i1r h LYS 73 CO -0.17 0.83 0.03 -0.07 -3.45 0.00 0.00 179.45 176.62 1i1r h LEU 74 N -0.06 -0.01 0.01 5.20 3.38 -0.78 0.11 115.31 123.15 1i1r h LEU 74 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1i1r h LEU 74 Cb 0.82 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1i1r h LEU 74 CO 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 178.44 178.60 1i1r h ALA 75 N 1.15 -0.01 -0.44 1.53 0.00 -0.88 -0.20 119.26 120.41 1i1r h ALA 75 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i1r h ALA 75 Cb 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1i1r h ALA 75 CO -0.13 -0.48 0.16 -0.44 0.00 0.00 0.00 179.25 178.36 1i1r h ASP 76 N -0.06 0.18 -0.27 0.00 3.32 -1.02 -1.81 116.42 116.76 1i1r h ASP 76 Ca -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1i1r h ASP 76 Cb 0.06 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1i1r h ASP 76 CO 0.00 0.14 0.14 1.23 -1.72 0.00 0.00 179.24 179.03 1i1r h GLY 77 N 0.34 0.41 2.00 2.75 0.00 -0.58 -1.15 103.07 106.83 1i1r h GLY 77 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1i1r h GLY 77 CO -0.20 0.18 -0.03 0.74 0.00 0.00 0.00 176.54 177.23 1i1r h PHE 78 N 0.31 0.00 -0.02 5.60 0.05 -0.65 0.62 116.94 122.85 1i1r h PHE 78 Ca 0.09 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.65 1i1r h PHE 78 Cb 0.08 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.04 1i1r h PHE 78 CO -0.03 0.03 -0.94 0.74 -0.18 0.00 0.00 178.31 177.93 1i1r h PHE 79 N 0.00 0.77 0.00 -0.55 -1.00 -0.97 -2.95 116.94 112.25 1i1r h PHE 79 Ca -0.00 -0.41 -0.01 0.00 2.81 0.00 0.00 57.97 60.37 1i1r h PHE 79 Cb 0.05 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 1i1r h PHE 79 CO 0.00 1.23 -0.03 0.93 -1.61 0.00 0.00 178.31 178.83 1i1r h GLU 80 N 0.31 0.00 0.00 1.51 5.08 0.21 -2.76 114.58 118.93 1i1r h GLU 80 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1i1r h GLU 80 Cb 1.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1i1r h GLU 80 CO 0.17 0.03 -0.17 0.74 -1.00 0.00 0.00 179.01 178.78 1i1r h PHE 81 N 0.00 0.00 -0.57 4.33 0.04 -0.78 -3.28 116.94 116.69 1i1r h PHE 81 Ca -0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1i1r h PHE 81 Cb 0.36 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1i1r h PHE 81 CO 0.00 0.17 0.37 1.05 -0.60 0.00 0.00 178.31 179.30 1i1r h GLU 82 N 0.00 0.72 -0.98 1.51 4.11 -1.58 0.19 114.58 118.55 1i1r h GLU 82 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.40 1i1r h GLU 82 Cb 0.76 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1i1r h GLU 82 CO 0.02 0.48 0.65 0.28 0.07 0.00 0.00 179.01 180.51 1i1r h VAL 83 N 0.75 1.23 -0.31 -1.06 2.07 -1.77 -1.34 116.25 115.80 1i1r h VAL 83 Ca 0.21 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1i1r h VAL 83 Cb -0.06 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.51 1i1r h VAL 83 CO -0.06 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1i1r h LEU 84 N 1.30 0.57 -1.97 2.57 3.38 -1.47 -2.60 115.31 117.09 1i1r h LEU 84 Ca 0.37 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1i1r h LEU 84 Cb -0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1i1r h LEU 84 CO -0.09 0.78 -0.11 -0.26 0.09 0.00 0.00 178.44 178.85 1i1r h PHE 85 N 0.36 0.00 -0.30 1.13 0.05 -0.16 0.84 116.94 118.86 1i1r h PHE 85 Ca 0.08 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.73 1i1r h PHE 85 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.45 1i1r h PHE 85 CO 0.04 0.11 -0.39 0.87 -0.18 0.00 0.00 178.31 178.76 1i1r h LYS 86 N 0.00 0.80 -0.55 1.51 1.57 -0.95 0.22 116.57 119.16 1i1r h LYS 86 Ca -0.00 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 1i1r h LYS 86 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1i1r h LYS 86 CO 0.01 1.09 0.22 0.35 -0.57 0.00 0.00 179.45 180.55 1i1r h PHE 87 N 0.56 0.84 -0.75 -1.35 3.57 -0.89 -2.68 116.94 116.25 1i1r h PHE 87 Ca 0.04 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1i1r h PHE 87 Cb 0.98 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1i1r h PHE 87 CO 0.07 0.69 0.26 -0.07 -2.23 0.00 0.00 178.31 177.03 1i1r h LEU 88 N 0.75 1.07 -0.90 0.59 4.07 -0.66 -2.38 115.31 117.85 1i1r h LEU 88 Ca 0.18 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1i1r h LEU 88 Cb 0.21 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 1i1r h LEU 88 CO -0.01 0.98 0.58 0.74 -1.08 0.00 0.00 178.44 179.64 1i1r h THR 89 N 1.11 1.13 -0.77 0.22 2.02 -0.30 0.57 112.91 116.90 1i1r h THR 89 Ca 0.25 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1i1r h THR 89 Cb 0.27 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1i1r h THR 89 CO -0.01 0.20 0.31 0.74 0.37 0.00 0.00 175.52 177.13 1i1r h THR 90 N 1.12 1.26 0.10 3.16 2.02 -1.15 0.45 112.91 119.87 1i1r h THR 90 Ca 0.37 -0.82 -0.26 0.00 0.77 0.00 0.00 66.41 66.47 1i1r h THR 90 Cb 0.03 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1i1r h THR 90 CO -0.13 0.33 -1.17 -0.33 0.37 0.00 0.00 175.52 174.59 1i1r h GLU 91 N 1.12 0.31 0.00 6.66 4.39 -0.71 -3.40 114.58 122.96 1i1r h GLU 91 Ca 0.26 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1i1r h GLU 91 Cb 0.22 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1i1r h GLU 91 CO -0.02 1.20 -0.15 1.19 -1.16 0.00 0.00 179.01 180.07 1i1r n PHE 92 N -3.59 0.00 -0.40 4.33 3.01 0.19 -4.76 117.46 116.24 1i1r n PHE 92 Ca -0.08 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.70 1i1r n PHE 92 Cb 0.98 -0.00 0.61 0.00 -0.01 0.00 0.00 39.48 41.06 1i1r n PHE 92 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1i1r h GLY 93 N 0.58 1.16 1.75 1.37 0.00 -0.20 0.38 103.07 108.11 1i1r h GLY 93 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1i1r h GLY 93 CO 0.00 -0.27 -0.18 0.28 0.00 0.00 0.00 176.54 176.37 1i1r n LYS 94 N -4.62 0.25 0.00 4.80 5.02 -1.26 -4.22 118.16 118.13 1i1r n LYS 94 Ca 0.32 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1i1r n LYS 94 Cb 1.24 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1i1r n LYS 94 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1i1r n SER 95 N -2.16 0.15 -3.97 4.39 3.41 0.11 -5.02 113.62 110.53 1i1r n SER 95 Ca 0.05 -0.53 -0.27 0.00 -0.26 0.00 0.00 58.87 57.86 1i1r n SER 95 Cb 0.42 0.72 -0.17 0.00 -0.26 0.00 0.00 64.21 64.93 1i1r n SER 95 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1i1r s VAL 96 N -0.72 1.23 0.30 -3.33 1.01 0.30 -5.06 120.40 114.12 1i1r s VAL 96 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1i1r s VAL 96 Cb 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 1i1r s VAL 96 CO 0.00 0.40 1.52 -0.63 0.00 0.00 0.00 175.10 176.39 1i1r s ILE 97 N 1.38 2.25 -0.44 2.22 1.01 -1.26 -3.15 121.20 123.21 1i1r s ILE 97 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1i1r s ILE 97 Cb -0.13 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1i1r s ILE 97 CO -0.06 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.51 1i1r n ASN 98 N 1.90 -4.84 0.04 3.58 3.02 -1.26 -4.87 115.26 112.83 1i1r n ASN 98 Ca 0.06 0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.68 1i1r n ASN 98 Cb 0.39 -2.71 0.19 0.00 -0.61 0.00 0.00 39.78 37.04 1i1r n ASN 98 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i1r h VAL 99 N 0.00 1.28 0.00 2.41 2.07 -1.91 -2.91 116.25 117.20 1i1r h VAL 99 Ca -0.09 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1i1r h VAL 99 Cb 0.72 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1i1r h VAL 99 CO 0.13 0.43 0.04 -2.24 0.02 0.00 0.00 177.57 175.95 1i1r h ASP 100 N 0.36 0.00 -0.14 0.57 -0.00 -1.89 -1.90 116.42 113.41 1i1r h ASP 100 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1i1r h ASP 100 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.08 1i1r h ASP 100 CO 0.06 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.63 1i1r n VAL 101 N -2.56 0.28 0.12 4.15 0.24 -1.10 -4.48 118.33 114.97 1i1r n VAL 101 Ca -0.02 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1i1r n VAL 101 Cb 0.09 1.08 0.30 0.00 -1.47 0.00 0.00 33.84 33.84 1i1r n VAL 101 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1i1r h MET 102 N 2.86 0.20 0.00 7.34 2.86 -1.42 -1.40 114.93 125.37 1i1r h MET 102 Ca 0.00 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1i1r h MET 102 Cb 0.67 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1i1r h MET 102 CO 0.00 0.49 -0.03 1.05 1.06 0.00 0.00 176.91 179.49 1i1r h GLU 103 N 0.18 0.00 0.10 1.72 4.11 -1.79 -0.86 114.58 118.05 1i1r h GLU 103 Ca 0.02 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.11 1i1r h GLU 103 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1i1r h GLU 103 CO 0.05 0.03 -1.86 1.28 0.07 0.00 0.00 179.01 178.57 1i1r n LEU 104 N -3.20 2.48 -0.06 3.06 4.77 -0.85 -3.64 117.00 119.57 1i1r n LEU 104 Ca -0.01 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1i1r n LEU 104 Cb 0.21 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 1i1r n LEU 104 CO 0.25 0.74 0.87 0.25 -1.33 0.00 0.00 177.39 178.17 1i1r h LEU 105 N -0.16 -0.05 -1.53 2.23 6.46 -0.97 -1.52 115.31 119.78 1i1r h LEU 105 Ca -0.41 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 1i1r h LEU 105 Cb 1.88 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.88 1i1r h LEU 105 CO 0.02 0.01 -0.09 0.00 -0.62 0.00 0.00 178.44 177.76 1i1r h THR 106 N 0.10 1.14 -0.22 1.05 1.03 -1.34 0.08 112.91 114.75 1i1r h THR 106 Ca 0.11 -0.61 -0.10 0.00 -0.01 0.00 0.00 66.41 65.81 1i1r h THR 106 Cb 0.13 1.14 -0.01 0.00 -1.07 0.00 0.00 68.15 68.34 1i1r h THR 106 CO -0.17 0.19 -0.28 0.50 -0.01 0.00 0.00 175.52 175.75 1i1r h LYS 107 N 0.19 0.42 -0.54 0.00 3.64 -1.46 -1.71 116.57 117.10 1i1r h LYS 107 Ca 0.04 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1i1r h LYS 107 Cb 0.28 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1i1r h LYS 107 CO 0.01 0.67 -0.03 1.15 -2.27 0.00 0.00 179.45 178.99 1i1r h THR 108 N 0.37 1.26 -0.23 1.00 2.02 -0.03 0.62 112.91 117.93 1i1r h THR 108 Ca 0.05 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 65.91 1i1r h THR 108 Cb 0.69 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1i1r h THR 108 CO 0.05 0.40 -0.63 -0.07 0.37 0.00 0.00 175.52 175.64 1i1r h LEU 109 N 0.87 0.90 0.29 2.58 3.38 -0.88 -1.93 115.31 120.52 1i1r h LEU 109 Ca 0.16 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1i1r h LEU 109 Cb 0.55 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1i1r h LEU 109 CO 0.03 1.31 -0.14 1.23 0.09 0.00 0.00 178.44 180.96 1i1r h GLY 110 N 0.72 -0.41 0.28 0.83 0.00 -1.12 -0.72 103.07 102.66 1i1r h GLY 110 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1i1r h GLY 110 CO 0.13 -0.15 -0.45 1.49 0.00 0.00 0.00 176.54 177.57 1i1r h TRP 111 N -0.48 -1.27 -0.69 5.60 6.55 -0.87 1.00 115.95 125.79 1i1r h TRP 111 Ca -0.04 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.85 1i1r h TRP 111 Cb 0.36 0.53 -0.04 0.00 -0.86 0.00 0.00 29.16 29.16 1i1r h TRP 111 CO -0.03 -0.55 0.46 -0.44 -1.05 0.00 0.00 178.44 176.83 1i1r h ASP 112 N -0.71 0.76 -0.01 -3.49 3.45 -1.36 0.17 116.42 115.23 1i1r h ASP 112 Ca 0.01 -0.02 -0.24 0.00 0.43 0.00 0.00 57.03 57.21 1i1r h ASP 112 Cb 0.72 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.32 1i1r h ASP 112 CO -0.23 0.54 -0.92 0.40 -1.57 0.00 0.00 179.24 177.46 1i1r h ILE 113 N 0.89 1.29 0.00 0.35 2.04 -0.70 -2.84 117.51 118.55 1i1r h ILE 113 Ca 0.26 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 1i1r h ILE 113 Cb -0.03 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1i1r h ILE 113 CO -0.07 0.67 -0.01 -0.61 0.00 0.00 0.00 178.15 178.14 1i1r h GLN 114 N 0.43 0.00 0.05 2.37 -0.00 0.17 -0.95 115.11 117.18 1i1r h GLN 114 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.33 1i1r h GLN 114 Cb 1.56 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 29.03 1i1r h GLN 114 CO 0.18 0.01 -1.04 1.49 0.00 0.00 0.00 178.83 179.47 1i1r h GLU 115 N 0.00 0.25 -0.13 1.69 4.81 -0.75 -3.15 114.58 117.31 1i1r h GLU 115 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1i1r h GLU 115 Cb 0.20 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1i1r h GLU 115 CO 0.00 1.09 -0.02 0.93 -0.73 0.00 0.00 179.01 180.28 1i1r h GLU 116 N 0.11 0.24 -0.06 1.92 4.39 -1.08 -2.97 114.58 117.14 1i1r h GLU 116 Ca -0.08 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1i1r h GLU 116 Cb 1.72 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.30 1i1r h GLU 116 CO 0.17 0.52 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.99 1i1r h LEU 117 N -0.06 -1.48 -1.98 1.33 3.38 -1.50 0.39 115.31 115.39 1i1r h LEU 117 Ca 0.03 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.41 1i1r h LEU 117 Cb 0.42 0.57 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1i1r h LEU 117 CO 0.01 -0.44 0.62 0.78 0.09 0.00 0.00 178.44 179.50 1i1r h ASN 118 N -0.55 0.00 0.99 -0.43 2.35 -1.60 0.76 115.58 117.10 1i1r h ASN 118 Ca 0.02 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 1i1r h ASN 118 Cb 0.61 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 1i1r h ASN 118 CO -0.35 0.00 -1.02 0.50 -1.65 0.00 0.00 177.43 174.92 1i1r h LYS 119 N 0.00 0.00 0.01 0.81 3.64 -0.81 -3.31 116.57 116.90 1i1r h LYS 119 Ca 0.39 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.53 1i1r h LYS 119 Cb 1.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 1i1r h LYS 119 CO -0.00 0.95 -1.26 1.25 -2.27 0.00 0.00 179.45 178.12 1i1r h LEU 120 N 0.00 0.03 0.00 5.20 7.12 0.43 -3.48 115.31 124.61 1i1r h LEU 120 Ca -0.02 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1i1r h LEU 120 Cb 1.77 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 1i1r h LEU 120 CO 0.12 1.03 0.00 0.41 -0.13 0.00 0.00 178.44 179.87 1i1r n THR 121 N -3.26 0.00 0.00 1.05 -1.04 0.17 -5.04 114.28 106.16 1i1r n THR 121 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1i1r n THR 121 Cb 0.98 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 1i1r n THR 121 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1i1r n LYS 122 N 0.00 2.30 -1.74 -2.82 5.02 -1.26 -4.76 118.16 114.90 1i1r n LYS 122 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1i1r n LYS 122 Cb 0.00 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1i1r n LYS 122 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i1r s THR 123 N -1.24 3.15 -0.15 -0.18 2.01 -1.26 -4.89 115.64 113.07 1i1r s THR 123 Ca 0.00 0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1i1r s THR 123 Cb 0.00 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1i1r s THR 123 CO 0.00 -0.03 0.77 -2.28 -0.69 0.00 0.00 174.62 172.40 1i1r s HIS 124 N 4.81 3.44 0.00 4.92 2.46 -1.26 -4.70 115.29 124.97 1i1r s HIS 124 Ca 0.86 1.20 -0.05 0.00 0.47 0.00 0.00 55.06 57.55 1i1r s HIS 124 Cb -0.39 -2.94 -0.04 0.00 -0.13 0.00 0.00 32.58 29.07 1i1r s HIS 124 CO 0.38 -0.17 0.23 0.71 -2.47 0.00 0.00 174.74 173.42 1i1r s TYR 125 N 1.86 3.56 -0.11 3.88 1.51 -1.26 -5.10 117.35 121.68 1i1r s TYR 125 Ca 0.37 0.47 0.03 0.00 -1.01 0.00 0.00 57.07 56.92 1i1r s TYR 125 Cb -0.17 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1i1r s TYR 125 CO 0.13 0.62 -0.20 -1.54 -1.11 0.00 0.00 175.55 173.45 1i1r s SER 126 N -1.83 2.82 0.05 2.29 1.04 -1.26 -5.02 113.70 111.79 1i1r s SER 126 Ca 0.28 -0.52 -0.33 0.00 0.48 0.00 0.00 55.95 55.86 1i1r s SER 126 Cb -0.13 -1.29 -0.12 0.00 0.10 0.00 0.00 66.02 64.58 1i1r s SER 126 CO 0.17 0.09 1.81 -0.81 0.98 0.00 0.00 173.24 175.48 1i1r n PRO 127 N 3.88 2.44 -0.84 4.02 -0.04 -1.26 -4.91 135.00 138.29 1i1r n PRO 127 Ca -0.20 0.89 -0.31 0.00 -0.04 0.00 0.00 63.50 63.85 1i1r n PRO 127 Cb 0.52 -2.74 0.07 0.00 -0.04 0.00 0.00 33.50 31.31 1i1r n PRO 127 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1i1r n PRO 128 N 5.67 -0.62 -2.69 0.54 -0.04 -1.26 -4.92 135.00 131.68 1i1r n PRO 128 Ca 0.20 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1i1r n PRO 128 Cb 0.33 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1i1r n PRO 128 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1i1r s LYS 129 N -2.49 4.50 -0.25 0.54 0.00 -1.26 -4.97 119.74 115.80 1i1r s LYS 129 Ca 0.36 1.42 -0.28 0.00 0.00 0.00 0.00 55.97 57.48 1i1r s LYS 129 Cb 0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 37.83 34.33 1i1r s LYS 129 CO 0.55 -0.16 1.98 0.12 0.00 0.00 0.00 175.35 177.84 1i1r s PHE 130 N 1.40 1.51 -0.99 1.78 2.19 -1.26 -4.87 117.98 117.74 1i1r s PHE 130 Ca 0.51 0.52 -0.23 0.00 0.33 0.00 0.00 56.93 58.06 1i1r s PHE 130 Cb -0.20 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.48 1i1r s PHE 130 CO 0.24 -3.60 1.71 0.34 1.83 0.00 0.00 175.22 175.74 1i1r s ASP 131 N 6.86 5.86 0.37 6.13 3.68 -1.26 -4.80 116.67 133.51 1i1r s ASP 131 Ca 0.89 -1.18 0.08 0.00 2.13 0.00 0.00 52.55 54.47 1i1r s ASP 131 Cb -0.28 -2.57 0.74 0.00 -1.45 0.00 0.00 42.92 39.36 1i1r s ASP 131 CO 0.34 -2.11 1.91 0.03 0.13 0.00 0.00 175.17 175.48 1i1r h ARG 132 N 10.31 0.34 -0.63 4.34 3.08 -1.99 -1.88 114.38 127.95 1i1r h ARG 132 Ca 0.17 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1i1r h ARG 132 Cb 1.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1i1r h ARG 132 CO 1.33 0.43 0.34 0.78 -1.07 0.00 0.00 179.97 181.77 1i1r h GLY 133 N 0.74 0.95 0.75 0.04 0.00 -1.99 0.83 103.07 104.39 1i1r h GLY 133 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1i1r h GLY 133 CO 0.02 0.42 -0.12 -2.00 0.00 0.00 0.00 176.54 174.85 1i1r h LEU 134 N 0.86 -0.29 -0.63 3.11 5.85 -1.85 -1.64 115.31 120.73 1i1r h LEU 134 Ca 0.22 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.91 1i1r h LEU 134 Cb 0.05 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 1i1r h LEU 134 CO -0.03 0.00 0.00 0.25 -0.34 0.00 0.00 178.44 178.32 1i1r h LEU 135 N -0.61 -0.28 -1.18 2.25 5.85 -1.18 0.40 115.31 120.57 1i1r h LEU 135 Ca -0.04 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1i1r h LEU 135 Cb 0.44 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1i1r h LEU 135 CO 0.06 -0.12 0.58 1.23 -0.34 0.00 0.00 178.44 179.85 1i1r h GLY 136 N 0.12 1.30 1.04 3.75 0.00 -0.62 0.57 103.07 109.23 1i1r h GLY 136 Ca 0.33 -0.39 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 1i1r h GLY 136 CO -0.54 0.25 -0.85 3.21 0.00 0.00 0.00 176.54 178.61 1i1r h ARG 137 N 0.95 0.60 0.09 4.80 3.08 0.20 -2.40 114.38 121.70 1i1r h ARG 137 Ca 0.40 -0.63 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1i1r h ARG 137 Cb 0.31 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1i1r h ARG 137 CO -0.16 1.23 -0.04 1.25 -1.07 0.00 0.00 179.97 181.18 1i1r h LEU 138 N 0.22 -0.10 0.00 3.04 5.85 0.22 -1.59 115.31 122.95 1i1r h LEU 138 Ca -0.10 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1i1r h LEU 138 Cb 1.52 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1i1r h LEU 138 CO 0.17 0.08 0.00 1.67 -0.34 0.00 0.00 178.44 180.02 1i1r n GLN 139 N -5.07 0.31 0.07 1.25 -0.06 0.19 -2.24 117.38 111.84 1i1r n GLN 139 Ca -0.08 0.10 0.12 0.00 -2.00 0.00 0.00 57.00 55.13 1i1r n GLN 139 Cb 0.14 -1.50 0.07 0.00 -4.06 0.00 0.00 30.24 24.89 1i1r n GLN 139 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1i1r n GLY 140 N 0.16 -1.38 3.73 1.69 0.00 -0.62 -4.89 105.19 103.89 1i1r n GLY 140 Ca 0.09 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1i1r n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1r s LEU 141 N -4.54 3.57 0.04 0.99 1.43 -0.95 -5.00 118.68 114.22 1i1r s LEU 141 Ca 0.03 2.62 0.05 0.00 -1.03 0.00 0.00 54.13 55.80 1i1r s LEU 141 Cb 0.12 -4.62 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 1i1r s LEU 141 CO 0.77 -2.01 -0.15 -0.54 0.23 0.00 0.00 176.35 174.64 1i1r s LYS 142 N -3.39 1.01 3.98 1.70 1.02 -1.26 -4.89 119.74 117.91 1i1r s LYS 142 Ca 0.82 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1i1r s LYS 142 Cb -0.37 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1i1r s LYS 142 CO 0.40 0.26 0.00 0.66 -0.92 0.00 0.00 175.35 175.75 1i1r n TYR 143 N 1.90 0.00 -0.36 3.18 4.01 -1.26 -3.97 117.16 120.65 1i1r n TYR 143 Ca -0.18 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.62 1i1r n TYR 143 Cb 0.54 0.09 0.13 0.00 -0.31 0.00 0.00 39.34 39.79 1i1r n TYR 143 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 1i1r h TRP 144 N 0.00 -0.57 -0.03 -0.72 2.91 -2.04 -0.57 115.95 114.93 1i1r h TRP 144 Ca 0.00 0.09 0.01 0.00 1.13 0.00 0.00 58.89 60.12 1i1r h TRP 144 Cb 0.00 0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1i1r h TRP 144 CO 0.00 -0.43 0.52 0.28 -1.03 0.00 0.00 178.44 177.78 1i1r h VAL 145 N -0.00 0.01 0.00 2.65 2.07 -1.99 0.19 116.25 119.18 1i1r h VAL 145 Ca 0.47 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.93 1i1r h VAL 145 Cb 0.72 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1i1r h VAL 145 CO -1.03 0.00 -0.28 0.03 0.02 0.00 0.00 177.57 176.31 1i1r h ARG 146 N 0.00 0.00 -0.14 1.57 3.08 -1.31 -1.66 114.38 115.92 1i1r h ARG 146 Ca 0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1i1r h ARG 146 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1i1r h ARG 146 CO -0.00 0.28 -0.43 0.45 -1.07 0.00 0.00 179.97 179.20 1i1r h HIS 147 N 0.00 0.40 -0.00 3.04 3.86 -0.81 -0.85 115.15 120.78 1i1r h HIS 147 Ca -0.00 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1i1r h HIS 147 Cb 0.55 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1i1r h HIS 147 CO 0.00 0.71 0.00 0.74 0.86 0.00 0.00 177.93 180.24 1i1r h PHE 148 N 0.28 0.00 -0.54 2.45 0.04 -1.41 0.24 116.94 118.00 1i1r h PHE 148 Ca 0.02 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.87 1i1r h PHE 148 Cb 0.88 -0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.96 1i1r h PHE 148 CO 0.02 0.14 0.19 0.00 -0.60 0.00 0.00 178.31 178.06 1i1r h ALA 149 N 0.86 0.68 -0.49 2.45 0.00 -1.20 -0.25 119.26 121.30 1i1r h ALA 149 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1i1r h ALA 149 Cb 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1i1r h ALA 149 CO -0.00 -0.21 0.14 0.77 0.00 0.00 0.00 179.25 179.95 1i1r h SER 150 N 0.36 0.11 -0.16 0.00 0.02 -0.49 0.12 113.55 113.51 1i1r h SER 150 Ca 0.27 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1i1r h SER 150 Cb 0.31 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1i1r h SER 150 CO -0.28 0.09 0.10 0.15 -1.14 0.00 0.00 176.83 175.75 1i1r h PHE 151 N 0.30 0.20 -0.42 3.45 3.57 0.10 0.05 116.94 124.19 1i1r h PHE 151 Ca 0.24 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1i1r h PHE 151 Cb 0.28 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1i1r h PHE 151 CO -0.19 0.13 0.01 1.88 -2.23 0.00 0.00 178.31 177.91 1i1r h TYR 152 N 0.21 0.80 -0.18 0.41 0.99 -0.76 -0.54 116.97 117.90 1i1r h TYR 152 Ca 0.06 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1i1r h TYR 152 Cb -0.02 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 37.50 1i1r h TYR 152 CO -0.07 0.80 0.09 0.28 -0.00 0.00 0.00 178.16 179.26 1i1r h VAL 153 N 0.57 1.11 -0.66 -2.88 2.07 -0.90 -0.33 116.25 115.23 1i1r h VAL 153 Ca 0.12 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1i1r h VAL 153 Cb 0.47 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1i1r h VAL 153 CO 0.02 0.11 0.43 -0.07 0.02 0.00 0.00 177.57 178.08 1i1r h LEU 154 N 0.17 0.73 -0.26 2.57 3.38 -0.88 -0.29 115.31 120.74 1i1r h LEU 154 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i1r h LEU 154 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1i1r h LEU 154 CO -0.01 0.52 0.17 0.28 0.09 0.00 0.00 178.44 179.49 1i1r h SER 155 N 0.87 0.30 -0.77 -0.43 0.02 -0.72 0.98 113.55 113.80 1i1r h SER 155 Ca 0.25 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1i1r h SER 155 Cb -0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1i1r h SER 155 CO -0.07 0.24 0.38 0.00 -1.14 0.00 0.00 176.83 176.24 1i1r h ALA 156 N 1.08 0.99 -0.41 3.77 0.00 -0.70 -2.28 119.26 121.70 1i1r h ALA 156 Ca 0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1i1r h ALA 156 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1i1r h ALA 156 CO -0.02 0.55 -0.27 0.52 0.00 0.00 0.00 179.25 180.03 1i1r h MET 157 N 1.08 0.88 -0.01 0.00 2.07 -0.75 -2.12 114.93 116.08 1i1r h MET 157 Ca 0.27 -0.40 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 1i1r h MET 157 Cb 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 29.81 1i1r h MET 157 CO -0.03 1.04 -0.00 1.49 1.07 0.00 0.00 176.91 180.47 1i1r h GLU 158 N 0.75 -0.00 0.22 1.72 4.81 -0.50 -0.41 114.58 121.17 1i1r h GLU 158 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1i1r h GLU 158 Cb 0.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1i1r h GLU 158 CO 0.07 -0.00 -0.15 0.87 -0.73 0.00 0.00 179.01 179.07 1i1r h LYS 159 N -0.00 -0.36 0.66 1.92 1.57 -1.38 -0.67 116.57 118.32 1i1r h LYS 159 Ca 0.01 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1i1r h LYS 159 Cb 0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1i1r h LYS 159 CO -0.01 -0.24 -0.48 0.35 -0.57 0.00 0.00 179.45 178.50 1i1r h PHE 160 N -0.37 -1.29 -1.00 -1.35 3.57 -1.29 0.15 116.94 115.36 1i1r h PHE 160 Ca -0.02 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1i1r h PHE 160 Cb 0.32 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1i1r h PHE 160 CO -0.10 -0.68 0.63 0.00 -2.23 0.00 0.00 178.31 175.92 1i1r h ALA 161 N -1.12 1.55 -0.83 2.41 0.00 -1.10 0.33 119.26 120.50 1i1r h ALA 161 Ca -0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1i1r h ALA 161 Cb 0.90 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1i1r h ALA 161 CO 0.04 0.18 0.38 0.78 0.00 0.00 0.00 179.25 180.64 1i1r h GLY 162 N 0.96 1.30 1.37 0.00 0.00 -0.79 -2.00 103.07 103.90 1i1r h GLY 162 Ca 0.51 -0.66 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1i1r h GLY 162 CO -0.28 0.63 -0.45 1.46 0.00 0.00 0.00 176.54 177.90 1i1r h GLN 163 N 1.19 0.68 -0.65 4.80 4.20 0.13 -2.88 115.11 122.59 1i1r h GLN 163 Ca 0.28 -0.38 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1i1r h GLN 163 Cb 0.15 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1i1r h GLN 163 CO -0.03 0.99 0.38 0.00 -0.67 0.00 0.00 178.83 179.50 1i1r h ALA 164 N 0.95 0.85 -0.97 3.87 0.00 0.01 0.17 119.26 124.15 1i1r h ALA 164 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1i1r h ALA 164 Cb 1.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1i1r h ALA 164 CO 0.09 0.11 0.64 0.28 0.00 0.00 0.00 179.25 180.36 1i1r h VAL 165 N 0.74 1.20 0.18 0.00 2.07 -1.26 0.92 116.25 120.11 1i1r h VAL 165 Ca 0.27 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1i1r h VAL 165 Cb 0.09 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1i1r h VAL 165 CO -0.13 0.23 -0.09 0.03 0.02 0.00 0.00 177.57 177.63 1i1r h ARG 166 N 1.26 -0.24 -0.26 1.57 -0.00 -0.97 -1.33 114.38 114.42 1i1r h ARG 166 Ca 0.37 0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.91 1i1r h ARG 166 Cb -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 29.92 1i1r h ARG 166 CO -0.10 -0.04 0.01 0.28 0.00 0.00 0.00 179.97 180.12 1i1r h VAL 167 N -0.39 0.82 -0.26 2.04 2.07 -0.17 -1.87 116.25 118.49 1i1r h VAL 167 Ca -0.02 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1i1r h VAL 167 Cb 0.31 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1i1r h VAL 167 CO 0.04 0.02 -0.17 -0.07 0.02 0.00 0.00 177.57 177.40 1i1r h LEU 168 N 0.09 0.45 -0.92 2.57 3.38 -0.80 -2.33 115.31 117.75 1i1r h LEU 168 Ca 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1i1r h LEU 168 Cb 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1i1r h LEU 168 CO -0.20 0.64 -0.07 0.44 0.09 0.00 0.00 178.44 179.34 1i1r h ASP 169 N 0.42 0.00 0.03 -0.43 3.32 -0.85 -3.16 116.42 115.74 1i1r h ASP 169 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1i1r h ASP 169 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1i1r h ASP 169 CO 0.04 0.07 -0.12 -1.54 -1.72 0.00 0.00 179.24 175.97 1i1r n SER 170 N -3.16 1.94 -4.67 6.45 3.41 -0.74 -4.83 113.62 112.03 1i1r n SER 170 Ca 0.01 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.69 1i1r n SER 170 Cb 0.41 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1i1r n SER 170 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1i1r s ILE 171 N -2.16 5.12 -2.00 -1.33 1.01 -1.08 -5.08 121.20 115.67 1i1r s ILE 171 Ca 0.30 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.97 1i1r s ILE 171 Cb 0.20 -3.84 0.14 0.00 0.01 0.00 0.00 42.46 38.97 1i1r s ILE 171 CO 0.39 0.20 0.77 -0.81 0.00 0.00 0.00 174.94 175.50