#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxi s PHE 4 N 0.00 3.74 -0.13 5.58 5.36 -1.26 -4.76 117.98 126.51 2nxi s PHE 4 Ca 0.00 1.75 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 2nxi s PHE 4 Cb 0.00 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.48 2nxi s PHE 4 CO 0.00 -0.17 0.14 -0.51 -1.46 0.00 0.00 175.22 173.23 2nxi s LEU 5 N -0.89 4.35 -0.35 6.12 1.02 -1.20 0.14 118.68 127.88 2nxi s LEU 5 Ca 0.45 0.43 -0.00 0.00 0.02 0.00 0.00 54.13 55.03 2nxi s LEU 5 Cb -0.28 -2.08 0.12 0.00 0.02 0.00 0.00 46.19 43.96 2nxi s LEU 5 CO 0.35 0.36 0.15 -0.69 0.02 0.00 0.00 176.35 176.55 2nxi s VAL 6 N -0.75 0.87 -0.27 -1.59 1.01 -1.07 -0.64 120.40 117.96 2nxi s VAL 6 Ca 0.14 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 2nxi s VAL 6 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2nxi s VAL 6 CO 0.03 -0.78 0.85 -0.63 0.00 0.00 0.00 175.10 174.56 2nxi s ILE 7 N 1.22 4.78 0.24 2.22 -1.09 0.03 -3.29 121.20 125.30 2nxi s ILE 7 Ca 0.13 1.46 0.01 0.00 -2.23 0.00 0.00 60.65 60.03 2nxi s ILE 7 Cb -0.20 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2nxi s ILE 7 CO -0.15 -0.19 0.15 0.00 -1.23 0.00 0.00 174.94 173.52 2nxi s ALA 8 N 2.99 1.48 0.00 9.38 0.00 -1.16 -0.27 121.76 134.18 2nxi s ALA 8 Ca 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2nxi s ALA 8 Cb -0.14 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.28 2nxi s ALA 8 CO 0.10 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2nxi n GLY 9 N -0.40 0.64 3.77 0.00 0.00 -1.23 -0.85 105.19 107.12 2nxi n GLY 9 Ca 0.02 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 2nxi n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxi s MET 10 N -2.00 2.87 0.07 1.61 -1.94 -1.07 -0.20 119.30 118.64 2nxi s MET 10 Ca 0.00 -0.70 -0.36 0.00 -1.71 0.00 0.00 55.69 52.92 2nxi s MET 10 Cb 0.00 -2.72 -0.19 0.00 2.01 0.00 0.00 34.83 33.93 2nxi s MET 10 CO 0.00 0.56 1.58 -0.97 -0.01 0.00 0.00 175.02 176.19 2nxi h ASN 11 N 3.27 -1.11 -4.20 3.03 -0.73 -1.86 -3.33 115.58 110.65 2nxi h ASN 11 Ca -0.47 0.06 -0.60 0.00 1.87 0.00 0.00 56.30 57.16 2nxi h ASN 11 Cb 1.16 0.32 -0.24 0.00 0.27 0.00 0.00 38.32 39.83 2nxi h ASN 11 CO 0.66 -0.71 -0.84 0.00 -0.37 0.00 0.00 177.43 176.16 2nxi s ALA 12 N -5.98 1.92 -1.18 1.57 0.00 -1.26 -0.42 121.76 116.41 2nxi s ALA 12 Ca -0.19 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 2nxi s ALA 12 Cb 0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 2nxi s ALA 12 CO 0.61 0.42 1.95 0.42 0.00 0.00 0.00 175.76 179.15 2nxi s ILE 13 N -0.97 3.51 0.33 0.00 1.01 -0.39 -4.75 121.20 119.94 2nxi s ILE 13 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2nxi s ILE 13 Cb -0.10 -4.53 0.23 0.00 0.01 0.00 0.00 42.46 38.07 2nxi s ILE 13 CO 0.03 -0.92 1.96 -0.33 0.00 0.00 0.00 174.94 175.68 2nxi h GLU 14 N 9.85 0.80 -2.34 2.79 5.08 -1.97 -3.44 114.58 125.35 2nxi h GLU 14 Ca 0.20 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2nxi h GLU 14 Cb 0.94 -0.16 -0.21 0.00 0.50 0.00 0.00 28.75 29.82 2nxi h GLU 14 CO 1.21 0.59 -0.00 -1.12 -1.00 0.00 0.00 179.01 178.69 2nxi s SER 15 N -6.52 -0.55 0.00 1.42 0.01 -1.26 -4.99 113.70 101.80 2nxi s SER 15 Ca -0.10 0.85 0.26 0.00 1.31 0.00 0.00 55.95 58.27 2nxi s SER 15 Cb 0.17 0.84 1.16 0.00 0.21 0.00 0.00 66.02 68.40 2nxi s SER 15 CO 0.77 -0.37 1.85 1.21 0.41 0.00 0.00 173.24 177.11 2nxi n GLU 16 N 1.93 0.08 -0.00 12.44 2.13 -1.26 -1.91 120.64 134.05 2nxi n GLU 16 Ca -0.17 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.73 2nxi n GLU 16 Cb 0.56 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.66 2nxi n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2nxi n GLU 17 N -1.46 0.65 0.15 5.31 2.13 -1.26 -3.71 120.64 122.46 2nxi n GLU 17 Ca 0.08 0.03 0.12 0.00 0.66 0.00 0.00 57.16 58.04 2nxi n GLU 17 Cb 0.28 -1.66 0.13 0.00 0.27 0.00 0.00 31.44 30.46 2nxi n GLU 17 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2nxi h LEU 18 N 0.00 0.00 0.05 4.31 5.85 -1.83 -3.26 115.31 120.43 2nxi h LEU 18 Ca -0.18 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.39 2nxi h LEU 18 Cb 1.48 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.52 2nxi h LEU 18 CO 0.02 0.01 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.50 2nxi h LEU 19 N 0.00 0.40 -0.51 2.25 3.38 -1.51 -3.25 115.31 116.08 2nxi h LEU 19 Ca 0.00 -0.86 0.09 0.00 0.09 0.00 0.00 57.88 57.20 2nxi h LEU 19 Cb 0.95 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2nxi h LEU 19 CO 0.00 1.22 0.10 -0.07 0.09 0.00 0.00 178.44 179.78 2nxi h LEU 20 N -0.36 0.00 -1.00 1.67 3.38 -1.65 0.56 115.31 117.91 2nxi h LEU 20 Ca -0.09 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.11 2nxi h LEU 20 Cb 1.35 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.14 2nxi h LEU 20 CO 0.11 0.03 0.62 0.50 0.09 0.00 0.00 178.44 179.79 2nxi h LYS 21 N 0.24 0.93 -0.04 1.13 3.64 -1.66 0.29 116.57 121.09 2nxi h LYS 21 Ca 0.25 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2nxi h LYS 21 Cb 0.34 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2nxi h LYS 21 CO -0.33 0.61 -0.23 0.28 -2.27 0.00 0.00 179.45 177.51 2nxi h VAL 22 N 0.95 1.47 -0.03 2.00 2.07 -1.06 -3.08 116.25 118.57 2nxi h VAL 22 Ca 0.51 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 66.32 2nxi h VAL 22 Cb 0.55 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2nxi h VAL 22 CO -0.28 0.48 0.03 1.23 0.02 0.00 0.00 177.57 179.05 2nxi h GLY 23 N -0.33 0.00 2.00 2.17 0.00 0.86 0.27 103.07 108.04 2nxi h GLY 23 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2nxi h GLY 23 CO 0.05 0.00 -0.34 -2.09 0.00 0.00 0.00 176.54 174.16 2nxi h GLU 24 N 0.00 0.00 0.11 4.80 4.81 -0.37 -2.24 114.58 121.69 2nxi h GLU 24 Ca 0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 2nxi h GLU 24 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2nxi h GLU 24 CO -0.00 0.34 -1.70 1.49 -0.73 0.00 0.00 179.01 178.41 2nxi h GLU 25 N 0.00 0.24 0.00 1.92 4.57 -0.93 -3.09 114.58 117.29 2nxi h GLU 25 Ca -0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2nxi h GLU 25 Cb 0.88 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2nxi h GLU 25 CO 0.04 1.07 0.00 0.82 -1.18 0.00 0.00 179.01 179.77 2nxi h ILE 26 N 0.06 0.00 0.03 2.32 2.04 -1.33 -2.55 117.51 118.08 2nxi h ILE 26 Ca -0.30 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2nxi h ILE 26 Cb 2.03 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 2nxi h ILE 26 CO 0.13 0.00 -0.18 0.50 0.00 0.00 0.00 178.15 178.61 2nxi h LYS 27 N 0.00 0.07 -0.23 2.37 1.63 -1.46 -0.20 116.57 118.74 2nxi h LYS 27 Ca 0.00 -0.11 0.07 0.00 -0.85 0.00 0.00 60.65 59.75 2nxi h LYS 27 Cb 0.51 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2nxi h LYS 27 CO 0.00 1.04 0.20 -0.09 -3.45 0.00 0.00 179.45 177.15 2nxi h ARG 28 N -0.84 0.00 0.00 1.90 2.43 -1.42 0.69 114.38 117.14 2nxi h ARG 28 Ca -0.03 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 2nxi h ARG 28 Cb 1.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2nxi h ARG 28 CO 0.03 0.00 -1.53 -0.07 -1.51 0.00 0.00 179.97 176.89 2nxi h LEU 29 N 0.00 0.00 -2.02 3.80 3.38 -1.49 -3.05 115.31 115.93 2nxi h LEU 29 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2nxi h LEU 29 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2nxi h LEU 29 CO -0.00 0.81 -0.06 0.77 0.09 0.00 0.00 178.44 180.05 2nxi h SER 30 N 0.00 0.00 0.11 -0.43 4.64 0.10 -2.57 113.55 115.41 2nxi h SER 30 Ca -0.22 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.73 2nxi h SER 30 Cb 1.81 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.86 2nxi h SER 30 CO 0.07 0.06 -2.15 -0.62 -0.87 0.00 0.00 176.83 173.32 2nxi n GLU 31 N -3.34 0.71 0.40 4.77 -0.58 -0.84 -3.92 120.64 117.84 2nxi n GLU 31 Ca -0.01 0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.79 2nxi n GLU 31 Cb 0.22 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.37 2nxi n GLU 31 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2nxi h LYS 32 N 0.04 -0.97 -2.94 3.49 1.57 -1.41 -3.21 116.57 113.15 2nxi h LYS 32 Ca -0.47 0.07 -0.77 0.00 -1.87 0.00 0.00 60.65 57.61 2nxi h LYS 32 Cb 2.00 0.22 -0.18 0.00 0.08 0.00 0.00 32.23 34.35 2nxi h LYS 32 CO 0.03 -0.65 1.83 1.19 -0.57 0.00 0.00 179.45 181.28 2nxi n PHE 33 N -4.72 2.67 0.24 -1.35 3.72 -0.98 -4.75 117.46 112.29 2nxi n PHE 33 Ca -0.12 -2.73 0.07 0.00 -0.05 0.00 0.00 57.45 54.62 2nxi n PHE 33 Cb 0.40 -1.69 0.33 0.00 -0.94 0.00 0.00 39.48 37.58 2nxi n PHE 33 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2nxi n LYS 34 N 2.19 0.08 0.12 -1.08 4.81 -1.21 -1.02 118.16 122.04 2nxi n LYS 34 Ca 0.46 0.46 0.13 0.00 -0.87 0.00 0.00 58.31 58.49 2nxi n LYS 34 Cb 0.30 -1.70 0.42 0.00 0.02 0.00 0.00 35.03 34.07 2nxi n LYS 34 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2nxi h GLU 35 N 0.00 0.00 -5.80 1.64 9.09 -1.89 -3.44 114.58 114.18 2nxi h GLU 35 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 2nxi h GLU 35 Cb 0.14 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.18 2nxi h GLU 35 CO 0.00 0.00 -0.39 0.08 0.05 0.00 0.00 179.01 178.75 2nxi s VAL 36 N -3.17 5.34 -0.52 -1.06 1.01 -0.19 -4.02 120.40 117.80 2nxi s VAL 36 Ca 0.09 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 2nxi s VAL 36 Cb 0.11 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 33.06 2nxi s VAL 36 CO 0.55 0.54 0.52 -0.70 0.00 0.00 0.00 175.10 176.01 2nxi s GLU 37 N -1.26 3.02 0.28 2.72 2.12 0.12 -4.96 118.70 120.75 2nxi s GLU 37 Ca 0.21 -1.35 -0.21 0.00 0.36 0.00 0.00 54.97 53.98 2nxi s GLU 37 Cb -0.13 -4.19 -0.09 0.00 0.26 0.00 0.00 34.13 29.97 2nxi s GLU 37 CO 0.10 -1.23 0.80 -0.06 -0.54 0.00 0.00 175.26 174.33 2nxi s PHE 38 N 2.01 3.58 -0.05 5.30 0.08 -1.26 -2.59 117.98 125.05 2nxi s PHE 38 Ca 0.07 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.58 2nxi s PHE 38 Cb -0.25 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.53 2nxi s PHE 38 CO 0.07 0.22 0.05 0.08 -0.10 0.00 0.00 175.22 175.54 2nxi s VAL 39 N -1.69 -0.03 0.10 -0.44 1.01 -1.21 -4.23 120.40 113.92 2nxi s VAL 39 Ca 0.48 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 2nxi s VAL 39 Cb -0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.93 2nxi s VAL 39 CO 0.20 0.17 1.23 0.12 0.00 0.00 0.00 175.10 176.82 2nxi s PHE 40 N 2.14 3.41 0.01 5.22 5.36 0.21 -2.96 117.98 131.36 2nxi s PHE 40 Ca 0.05 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.33 2nxi s PHE 40 Cb -0.12 -3.46 -0.01 0.00 -0.34 0.00 0.00 43.02 39.09 2nxi s PHE 40 CO -0.04 -1.42 -0.09 0.21 -1.46 0.00 0.00 175.22 172.42 2nxi s LYS 41 N 0.72 0.72 -0.18 10.12 2.36 -0.03 -0.43 119.74 133.02 2nxi s LYS 41 Ca 0.58 -0.43 -0.29 0.00 -2.55 0.00 0.00 55.97 53.28 2nxi s LYS 41 Cb -0.31 -0.68 0.13 0.00 -1.05 0.00 0.00 37.83 35.91 2nxi s LYS 41 CO 0.31 0.18 1.00 0.45 1.55 0.00 0.00 175.35 178.84 2nxi s SER 42 N -0.50 -0.38 -0.13 1.43 0.15 -1.16 -2.59 113.70 110.52 2nxi s SER 42 Ca 0.02 0.48 -0.07 0.00 0.70 0.00 0.00 55.95 57.08 2nxi s SER 42 Cb -0.05 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2nxi s SER 42 CO 0.00 -0.31 0.11 -0.55 1.20 0.00 0.00 173.24 173.69 2nxi s SER 43 N -0.89 6.13 0.11 5.45 0.15 0.44 -4.40 113.70 120.69 2nxi s SER 43 Ca -0.01 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.24 2nxi s SER 43 Cb -0.01 -1.97 0.42 0.00 -1.71 0.00 0.00 66.02 62.74 2nxi s SER 43 CO 0.00 0.36 1.38 2.22 1.20 0.00 0.00 173.24 178.40 2nxi n PHE 44 N 2.32 0.49 -3.64 3.44 1.16 -1.26 -1.26 117.46 118.71 2nxi n PHE 44 Ca -0.19 0.14 -0.05 0.00 -1.87 0.00 0.00 57.45 55.48 2nxi n PHE 44 Cb 0.54 -0.62 -0.07 0.00 -1.61 0.00 0.00 39.48 37.73 2nxi n PHE 44 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nxi s ASP 45 N -4.06 -0.81 -0.74 5.98 2.15 -1.24 -3.19 116.67 114.77 2nxi s ASP 45 Ca 0.07 1.28 -0.15 0.00 0.43 0.00 0.00 52.55 54.17 2nxi s ASP 45 Cb 0.14 1.37 0.18 0.00 -0.30 0.00 0.00 42.92 44.31 2nxi s ASP 45 CO 0.71 -0.20 0.73 -0.54 -0.17 0.00 0.00 175.17 175.70 2nxi s LYS 46 N 1.61 3.40 0.00 4.34 -0.14 0.16 -4.89 119.74 124.21 2nxi s LYS 46 Ca -0.09 -2.09 0.17 0.00 -1.36 0.00 0.00 55.97 52.60 2nxi s LYS 46 Cb -0.05 -4.43 0.98 0.00 -1.68 0.00 0.00 37.83 32.65 2nxi s LYS 46 CO -0.18 -1.38 1.64 0.00 -0.76 0.00 0.00 175.35 174.67 2nxi n ALA 47 N 4.79 2.59 -2.04 5.17 0.00 -1.26 -3.81 120.51 125.96 2nxi n ALA 47 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2nxi n ALA 47 Cb 0.45 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.76 2nxi n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nxi n ASN 48 N -0.63 1.34 -4.72 0.00 0.23 -1.26 -5.08 115.26 105.15 2nxi n ASN 48 Ca 0.13 -2.93 -0.33 0.00 -0.53 0.00 0.00 54.58 50.92 2nxi n ASN 48 Cb 0.09 -0.41 0.11 0.00 -2.08 0.00 0.00 39.78 37.49 2nxi n ASN 48 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2nxi s ARG 49 N -1.59 1.92 0.05 -3.83 1.81 -1.25 -4.93 118.95 111.13 2nxi s ARG 49 Ca 0.35 1.66 -0.17 0.00 -1.72 0.00 0.00 55.73 55.86 2nxi s ARG 49 Cb 0.37 -1.82 -0.18 0.00 -0.45 0.00 0.00 34.95 32.87 2nxi s ARG 49 CO -0.12 -1.98 1.23 0.77 -0.68 0.00 0.00 175.30 174.53 2nxi h SER 50 N -0.69 0.69 -3.13 0.23 0.02 -1.97 -3.45 113.55 105.25 2nxi h SER 50 Ca -0.46 -0.65 -0.65 0.00 -0.84 0.00 0.00 61.79 59.19 2nxi h SER 50 Cb 1.28 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.52 2nxi h SER 50 CO 0.48 1.23 -0.58 -0.55 -1.14 0.00 0.00 176.83 176.27 2nxi s SER 51 N -6.79 5.64 0.52 3.07 0.15 -1.26 -4.97 113.70 110.05 2nxi s SER 51 Ca -0.12 0.10 0.30 0.00 0.70 0.00 0.00 55.95 56.93 2nxi s SER 51 Cb 0.06 -1.59 1.04 0.00 -1.71 0.00 0.00 66.02 63.82 2nxi s SER 51 CO 0.85 0.24 1.87 -0.29 1.20 0.00 0.00 173.24 177.10 2nxi h ILE 52 N 2.99 0.01 -0.66 6.45 -0.00 -2.00 -3.05 117.51 121.23 2nxi h ILE 52 Ca -0.48 -0.68 -0.45 0.00 -0.00 0.00 0.00 64.86 63.26 2nxi h ILE 52 Cb 1.18 1.67 -0.19 0.00 -0.00 0.00 0.00 36.82 39.47 2nxi h ILE 52 CO 0.64 0.00 0.58 1.41 -0.00 0.00 0.00 178.15 180.78 2nxi n HIS 53 N -3.10 2.13 -4.21 2.19 8.25 -1.26 -4.91 115.22 114.31 2nxi n HIS 53 Ca 0.02 -2.34 -0.15 0.00 -0.26 0.00 0.00 57.72 54.98 2nxi n HIS 53 Cb 0.38 -1.13 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 2nxi n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nxi s SER 54 N -0.52 1.70 0.82 0.41 0.01 -1.16 -5.14 113.70 109.83 2nxi s SER 54 Ca 0.43 -0.85 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2nxi s SER 54 Cb 0.34 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.56 2nxi s SER 54 CO -0.01 -0.24 0.63 0.33 0.41 0.00 0.00 173.24 174.37 2nxi n PHE 55 N 0.39 -0.57 0.00 2.43 7.35 -1.26 -4.96 117.46 120.83 2nxi n PHE 55 Ca -0.15 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2nxi n PHE 55 Cb 0.58 -1.91 0.00 0.00 0.35 0.00 0.00 39.48 38.50 2nxi n PHE 55 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2nxi n ARG 56 N -1.62 0.00 -3.88 -4.13 1.74 -1.26 -4.81 116.66 102.70 2nxi n ARG 56 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2nxi n ARG 56 Cb 0.51 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 2nxi n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nxi n GLY 57 N 1.18 -0.66 0.47 -0.13 0.00 -1.26 0.39 105.19 105.19 2nxi n GLY 57 Ca 0.00 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 44.90 2nxi n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nxi n HIS 58 N 9.00 0.00 0.00 1.61 8.25 -1.19 -5.02 115.22 127.87 2nxi n HIS 58 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 2nxi n HIS 58 Cb 0.00 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2nxi n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nxi n GLY 59 N -0.61 0.36 0.29 -1.41 0.00 -1.26 -4.17 105.19 98.39 2nxi n GLY 59 Ca 0.09 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.59 2nxi n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nxi h LEU 60 N 0.00 0.21 -0.08 0.99 6.46 -2.00 -2.19 115.31 118.70 2nxi h LEU 60 Ca 0.00 -0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.58 2nxi h LEU 60 Cb 0.00 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2nxi h LEU 60 CO 0.00 0.15 -0.62 -0.33 -0.62 0.00 0.00 178.44 177.02 2nxi h GLU 61 N 0.24 0.56 0.00 1.25 5.08 -1.98 -0.85 114.58 118.88 2nxi h GLU 61 Ca 0.09 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2nxi h GLU 61 Cb 0.07 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2nxi h GLU 61 CO -0.02 1.12 -0.15 -0.92 -1.00 0.00 0.00 179.01 178.05 2nxi h TYR 62 N 0.16 0.00 0.01 4.33 3.20 -1.66 -2.65 116.97 120.36 2nxi h TYR 62 Ca -0.06 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.70 2nxi h TYR 62 Cb 1.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2nxi h TYR 62 CO 0.12 0.15 -0.63 0.78 -1.64 0.00 0.00 178.16 176.93 2nxi h GLY 63 N 0.92 0.01 1.90 1.82 0.00 -1.33 -2.79 103.07 103.61 2nxi h GLY 63 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2nxi h GLY 63 CO 0.02 0.03 0.04 -2.08 0.00 0.00 0.00 176.54 174.55 2nxi h VAL 64 N -0.97 0.63 0.00 4.60 2.07 -1.15 0.68 116.25 122.12 2nxi h VAL 64 Ca -0.17 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2nxi h VAL 64 Cb 1.18 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2nxi h VAL 64 CO -0.09 0.00 -0.96 0.50 0.02 0.00 0.00 177.57 177.04 2nxi h LYS 65 N 0.00 0.00 0.00 1.57 3.64 -1.60 -2.73 116.57 117.45 2nxi h LYS 65 Ca 0.02 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2nxi h LYS 65 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2nxi h LYS 65 CO -0.00 0.14 -0.39 0.00 -2.27 0.00 0.00 179.45 176.93 2nxi h ALA 66 N 1.78 0.81 0.03 5.00 0.00 -0.65 -2.96 119.26 123.27 2nxi h ALA 66 Ca -0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2nxi h ALA 66 Cb 1.22 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2nxi h ALA 66 CO 0.02 0.23 -1.69 -0.07 0.00 0.00 0.00 179.25 177.75 2nxi h LEU 67 N 0.00 0.08 -0.62 0.00 3.38 -1.17 -3.34 115.31 113.65 2nxi h LEU 67 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2nxi h LEU 67 Cb 1.15 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2nxi h LEU 67 CO 0.02 1.15 0.35 0.03 0.09 0.00 0.00 178.44 180.09 2nxi h ARG 68 N 0.01 0.86 0.00 1.13 3.08 -1.50 0.15 114.38 118.11 2nxi h ARG 68 Ca -0.28 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2nxi h ARG 68 Cb 2.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2nxi h ARG 68 CO 0.09 0.63 0.04 1.17 -1.07 0.00 0.00 179.97 180.83 2nxi n LYS 69 N -4.58 0.10 -0.14 0.04 3.00 -1.12 -0.94 118.16 114.53 2nxi n LYS 69 Ca 0.04 0.59 -0.28 0.00 -0.00 0.00 0.00 58.31 58.67 2nxi n LYS 69 Cb 0.07 -1.87 -0.10 0.00 0.00 0.00 0.00 35.03 33.14 2nxi n LYS 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2nxi n VAL 70 N -2.05 1.53 0.32 3.15 0.31 -0.03 -3.14 118.33 118.42 2nxi n VAL 70 Ca -0.01 -0.34 0.20 0.00 -0.01 0.00 0.00 64.34 64.18 2nxi n VAL 70 Cb 0.06 -1.92 1.10 0.00 -0.91 0.00 0.00 33.84 32.17 2nxi n VAL 70 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2nxi h LYS 71 N -1.00 0.00 0.00 5.55 3.64 -0.27 -0.11 116.57 124.38 2nxi h LYS 71 Ca -0.65 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.72 2nxi h LYS 71 Cb 1.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2nxi h LYS 71 CO -0.39 0.01 -0.76 0.39 -2.27 0.00 0.00 179.45 176.42 2nxi n GLU 72 N -3.27 0.49 0.32 1.90 1.02 -0.12 -2.55 120.64 118.43 2nxi n GLU 72 Ca -0.03 0.39 0.20 0.00 -0.02 0.00 0.00 57.16 57.70 2nxi n GLU 72 Cb 0.10 -1.58 1.09 0.00 -0.02 0.00 0.00 31.44 31.03 2nxi n GLU 72 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2nxi h GLU 73 N -1.00 0.00 0.00 3.49 4.81 -1.52 -3.20 114.58 117.16 2nxi h GLU 73 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2nxi h GLU 73 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2nxi h GLU 73 CO -0.01 0.01 0.00 1.19 -0.73 0.00 0.00 179.01 179.47 2nxi n PHE 74 N -3.33 0.00 -0.38 0.92 3.72 -0.06 -5.00 117.46 113.33 2nxi n PHE 74 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2nxi n PHE 74 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2nxi n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nxi n GLY 75 N 0.45 0.44 3.75 1.37 0.00 -1.06 -4.92 105.19 105.22 2nxi n GLY 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2nxi n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxi s LEU 76 N 0.00 4.38 0.96 0.99 1.43 -1.26 -4.97 118.68 120.21 2nxi s LEU 76 Ca 0.00 2.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 2nxi s LEU 76 Cb 0.00 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.74 2nxi s LEU 76 CO 0.00 -0.75 1.00 0.29 0.23 0.00 0.00 176.35 177.12 2nxi n LYS 77 N 2.24 -0.69 -4.26 1.70 5.02 -1.26 -4.27 118.16 116.64 2nxi n LYS 77 Ca 0.07 -0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 2nxi n LYS 77 Cb 0.40 -2.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.03 2nxi n LYS 77 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nxi s ILE 78 N -2.57 1.42 -0.26 -0.18 -1.09 -1.26 -0.61 121.20 116.64 2nxi s ILE 78 Ca 0.65 -1.79 -0.20 0.00 -2.23 0.00 0.00 60.65 57.09 2nxi s ILE 78 Cb -0.23 -1.62 0.07 0.00 -1.58 0.00 0.00 42.46 39.10 2nxi s ILE 78 CO 0.60 -0.43 0.67 0.28 -1.23 0.00 0.00 174.94 174.84 2nxi s THR 79 N -2.22 -0.00 0.23 2.92 -1.32 0.43 0.31 115.64 115.99 2nxi s THR 79 Ca 0.11 0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.51 2nxi s THR 79 Cb -0.04 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2nxi s THR 79 CO 0.04 0.00 0.37 0.28 -2.21 0.00 0.00 174.62 173.09 2nxi s THR 80 N 0.96 0.00 -0.05 5.08 -1.32 -1.21 -2.97 115.64 116.13 2nxi s THR 80 Ca -0.05 -1.60 -0.02 0.00 -1.21 0.00 0.00 61.69 58.81 2nxi s THR 80 Cb -0.05 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 2nxi s THR 80 CO -0.09 0.00 0.05 1.51 -2.21 0.00 0.00 174.62 173.88 2nxi s ASP 81 N -3.07 5.53 0.30 8.08 -4.77 -1.26 -1.44 116.67 120.04 2nxi s ASP 81 Ca 0.28 0.17 0.07 0.00 -3.30 0.00 0.00 52.55 49.77 2nxi s ASP 81 Cb 0.02 -1.59 -0.03 0.00 -1.09 0.00 0.00 42.92 40.23 2nxi s ASP 81 CO 0.10 0.33 0.31 0.27 0.70 0.00 0.00 175.17 176.89 2nxi s ILE 82 N -1.04 4.13 0.00 2.11 -4.36 -1.09 -4.77 121.20 116.18 2nxi s ILE 82 Ca 0.18 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 2nxi s ILE 82 Cb -0.12 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.21 2nxi s ILE 82 CO 0.08 -0.24 0.00 1.41 0.24 0.00 0.00 174.94 176.43 2nxi n HIS 83 N -1.38 0.00 -3.72 1.37 8.25 -1.26 -4.44 115.22 114.04 2nxi n HIS 83 Ca -0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 2nxi n HIS 83 Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 2nxi n HIS 83 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nxi s GLU 84 N -0.46 0.53 0.22 -0.41 2.02 -1.26 -5.07 118.70 114.27 2nxi s GLU 84 Ca 0.00 0.54 -0.07 0.00 0.02 0.00 0.00 54.97 55.46 2nxi s GLU 84 Cb 0.00 0.26 0.36 0.00 0.10 0.00 0.00 34.13 34.85 2nxi s GLU 84 CO 0.00 -0.07 1.26 0.43 0.02 0.00 0.00 175.26 176.89 2nxi n SER 85 N 2.69 -0.30 -0.17 -0.19 7.64 -1.26 -0.73 113.62 121.29 2nxi n SER 85 Ca -0.14 1.39 0.16 0.00 1.01 0.00 0.00 58.87 61.28 2nxi n SER 85 Cb 0.57 -0.41 0.50 0.00 -1.01 0.00 0.00 64.21 63.86 2nxi n SER 85 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2nxi h TRP 86 N 0.00 0.49 0.00 1.43 5.08 -1.97 0.13 115.95 121.11 2nxi h TRP 86 Ca 0.38 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.37 2nxi h TRP 86 Cb 0.58 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 2nxi h TRP 86 CO -0.63 0.18 0.00 1.04 -1.28 0.00 0.00 178.44 177.76 2nxi n GLN 87 N -4.48 0.51 0.03 0.12 6.02 0.09 -3.87 117.38 115.80 2nxi n GLN 87 Ca 0.15 0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 57.15 2nxi n GLN 87 Cb 0.54 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.29 2nxi n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nxi h ALA 88 N 3.11 -0.97 -0.51 -1.58 0.00 -0.83 -2.93 119.26 115.54 2nxi h ALA 88 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2nxi h ALA 88 Cb 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2nxi h ALA 88 CO 0.00 -0.97 0.31 1.49 0.00 0.00 0.00 179.25 180.08 2nxi h GLU 89 N -0.09 0.59 -0.95 0.00 4.22 -1.78 -2.48 114.58 114.09 2nxi h GLU 89 Ca -0.01 -0.04 0.16 0.00 0.08 0.00 0.00 59.36 59.56 2nxi h GLU 89 Cb 0.07 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 2nxi h GLU 89 CO 0.01 0.39 0.60 -1.35 -2.18 0.00 0.00 179.01 176.49 2nxi h PRO 90 N 0.61 0.72 0.00 0.92 0.11 -1.74 -2.26 132.00 130.37 2nxi h PRO 90 Ca 0.21 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.06 2nxi h PRO 90 Cb 0.02 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 2nxi h PRO 90 CO -0.09 0.48 -1.20 0.28 -0.21 0.00 0.00 178.00 177.25 2nxi h VAL 91 N 0.74 1.16 0.00 3.15 2.07 -1.37 -3.40 116.25 118.60 2nxi h VAL 91 Ca 0.50 -2.83 -0.18 0.00 0.82 0.00 0.00 66.70 65.01 2nxi h VAL 91 Cb 0.79 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2nxi h VAL 91 CO -0.27 0.66 1.31 0.00 0.02 0.00 0.00 177.57 179.29 2nxi n ALA 92 N -2.40 3.34 0.00 1.67 0.00 -0.85 -2.62 120.51 119.64 2nxi n ALA 92 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2nxi n ALA 92 Cb 0.93 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2nxi n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nxi n GLU 93 N 3.78 0.00 -0.10 0.00 1.02 -1.26 -4.94 120.64 119.14 2nxi n GLU 93 Ca 0.25 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.18 2nxi n GLU 93 Cb 0.20 -0.30 -0.12 0.00 -0.02 0.00 0.00 31.44 31.19 2nxi n GLU 93 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2nxi n VAL 94 N -1.46 1.56 -3.14 2.62 0.31 -1.08 -4.91 118.33 112.24 2nxi n VAL 94 Ca 0.00 -0.53 -0.40 0.00 -0.01 0.00 0.00 64.34 63.40 2nxi n VAL 94 Cb 0.00 -1.59 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 2nxi n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nxi s ALA 95 N -2.52 3.57 0.05 3.52 0.00 -1.19 -4.20 121.76 120.99 2nxi s ALA 95 Ca -0.33 -0.36 0.21 0.00 0.00 0.00 0.00 51.96 51.49 2nxi s ALA 95 Cb 0.09 -2.97 0.69 0.00 0.00 0.00 0.00 23.12 20.93 2nxi s ALA 95 CO 0.62 -0.64 1.73 -0.44 0.00 0.00 0.00 175.76 177.02 2nxi h ASP 96 N 7.65 0.00 -3.32 0.00 3.32 -0.49 -3.43 116.42 120.15 2nxi h ASP 96 Ca -0.30 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.17 2nxi h ASP 96 Cb 1.14 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 2nxi h ASP 96 CO 0.77 0.29 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.11 2nxi s ILE 97 N -3.48 1.50 -0.30 0.35 1.01 -0.90 -2.29 121.20 117.09 2nxi s ILE 97 Ca 0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 2nxi s ILE 97 Cb 0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2nxi s ILE 97 CO 0.67 0.44 0.17 -0.63 0.00 0.00 0.00 174.94 175.59 2nxi s ILE 98 N 0.79 4.89 0.17 2.92 1.09 0.43 -3.36 121.20 128.13 2nxi s ILE 98 Ca -0.11 -0.22 -0.19 0.00 -1.10 0.00 0.00 60.65 59.04 2nxi s ILE 98 Cb -0.16 -3.44 -0.08 0.00 -1.06 0.00 0.00 42.46 37.73 2nxi s ILE 98 CO 0.02 0.12 0.66 -1.58 -0.10 0.00 0.00 174.94 174.05 2nxi s GLN 99 N 1.67 4.21 -0.24 2.79 0.74 -0.52 -1.75 119.66 126.56 2nxi s GLN 99 Ca 0.06 0.78 -0.03 0.00 0.05 0.00 0.00 55.36 56.23 2nxi s GLN 99 Cb -0.17 -3.00 0.01 0.00 1.10 0.00 0.00 33.01 30.96 2nxi s GLN 99 CO 0.08 0.48 -0.05 0.42 -0.55 0.00 0.00 175.29 175.67 2nxi s ILE 100 N -1.39 3.05 0.93 -2.34 -1.09 -0.65 -2.67 121.20 117.04 2nxi s ILE 100 Ca 0.38 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.83 2nxi s ILE 100 Cb -0.17 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.27 2nxi s ILE 100 CO 0.21 0.27 0.54 -2.65 -1.23 0.00 0.00 174.94 172.08 2nxi n PRO 101 N 4.72 -0.27 0.14 2.79 -0.02 -1.26 -1.03 135.00 140.06 2nxi n PRO 101 Ca -0.17 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.14 2nxi n PRO 101 Cb 0.48 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 2nxi n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxi h ALA 102 N -1.53 -0.33 0.00 3.55 0.00 -1.87 -2.05 119.26 117.02 2nxi h ALA 102 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2nxi h ALA 102 Cb 1.28 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2nxi h ALA 102 CO 0.36 -0.59 0.00 0.74 0.00 0.00 0.00 179.25 179.77 2nxi h PHE 103 N -0.52 0.00 -0.19 0.00 0.04 -1.92 -2.45 116.94 111.90 2nxi h PHE 103 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 2nxi h PHE 103 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2nxi h PHE 103 CO -0.01 0.00 -0.05 1.28 -0.60 0.00 0.00 178.31 178.93 2nxi n LEU 104 N -2.93 3.46 0.00 1.54 4.77 -1.02 -4.68 117.00 118.14 2nxi n LEU 104 Ca -0.03 -3.27 0.14 0.00 -0.03 0.00 0.00 56.01 52.82 2nxi n LEU 104 Cb 0.07 -0.53 0.74 0.00 -2.33 0.00 0.00 43.42 41.37 2nxi n LEU 104 CO 0.18 0.87 0.99 0.00 -1.33 0.00 0.00 177.39 178.09 2nxi n ARG 106 N -1.20 1.81 -2.62 0.00 5.12 -1.26 -4.91 116.66 113.60 2nxi n ARG 106 Ca 0.16 -0.73 -0.41 0.00 -1.93 0.00 0.00 57.85 54.93 2nxi n ARG 106 Cb 0.18 -1.15 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 2nxi n ARG 106 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nxi s GLN 107 N -1.45 3.25 0.07 5.56 -1.52 -1.20 -4.93 119.66 119.44 2nxi s GLN 107 Ca 0.10 -0.54 -0.14 0.00 -1.95 0.00 0.00 55.36 52.83 2nxi s GLN 107 Cb 0.10 -4.40 -0.04 0.00 -0.22 0.00 0.00 33.01 28.45 2nxi s GLN 107 CO 0.28 -2.09 1.23 1.15 -0.25 0.00 0.00 175.29 175.62 2nxi h THR 108 N 6.13 0.00 -1.05 -0.19 2.02 -1.91 -2.19 112.91 115.73 2nxi h THR 108 Ca -0.19 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.33 2nxi h THR 108 Cb 1.05 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.31 2nxi h THR 108 CO 1.28 0.00 0.62 0.44 0.37 0.00 0.00 175.52 178.23 2nxi h ASP 109 N -0.05 0.45 -0.00 4.18 3.32 -1.98 0.45 116.42 122.78 2nxi h ASP 109 Ca 0.06 0.18 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 2nxi h ASP 109 Cb 0.20 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2nxi h ASP 109 CO -0.36 -0.16 -0.36 0.25 -1.72 0.00 0.00 179.24 176.89 2nxi h LEU 110 N 0.26 0.51 -0.01 1.55 5.85 -1.78 -1.42 115.31 120.27 2nxi h LEU 110 Ca 0.75 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 59.22 2nxi h LEU 110 Cb 1.85 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2nxi h LEU 110 CO -0.57 0.84 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.16 2nxi h LEU 111 N 0.42 0.14 -1.74 2.25 3.38 -0.03 -2.37 115.31 117.35 2nxi h LEU 111 Ca 0.04 -0.73 0.08 0.00 0.09 0.00 0.00 57.88 57.37 2nxi h LEU 111 Cb 0.83 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2nxi h LEU 111 CO 0.07 0.84 0.33 -0.07 0.09 0.00 0.00 178.44 179.70 2nxi h LEU 112 N -0.56 0.27 -0.07 1.67 3.38 -0.93 0.18 115.31 119.25 2nxi h LEU 112 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2nxi h LEU 112 Cb 0.85 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2nxi h LEU 112 CO 0.03 0.17 -0.07 0.00 0.09 0.00 0.00 178.44 178.66 2nxi h ALA 113 N 1.75 0.11 0.00 1.53 0.00 -1.22 0.90 119.26 122.33 2nxi h ALA 113 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nxi h ALA 113 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2nxi h ALA 113 CO -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2nxi n ALA 114 N -2.38 2.09 -0.07 0.00 0.00 -0.81 -2.98 120.51 116.36 2nxi n ALA 114 Ca -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2nxi n ALA 114 Cb 0.30 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 2nxi n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nxi n ALA 115 N -1.47 1.48 0.19 0.00 0.00 0.56 -4.18 120.51 117.09 2nxi n ALA 115 Ca 0.06 -1.13 0.04 0.00 0.00 0.00 0.00 53.44 52.42 2nxi n ALA 115 Cb 0.26 -0.40 0.37 0.00 0.00 0.00 0.00 19.45 19.68 2nxi n ALA 115 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2nxi h LYS 116 N 0.00 0.00 0.00 0.00 1.63 -0.71 -2.89 116.57 114.60 2nxi h LYS 116 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2nxi h LYS 116 Cb 2.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 2nxi h LYS 116 CO 0.04 0.38 0.00 0.25 -3.45 0.00 0.00 179.45 176.67 2nxi n THR 117 N -3.79 0.00 -3.78 1.00 -2.24 -1.19 -4.90 114.28 99.38 2nxi n THR 117 Ca -0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 2nxi n THR 117 Cb 0.45 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.47 2nxi n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxi n GLY 118 N 0.34 -0.97 3.26 3.38 0.00 -1.09 -4.99 105.19 105.12 2nxi n GLY 118 Ca 0.05 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 2nxi n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nxi s ARG 119 N -6.31 1.24 -0.11 1.61 1.81 -1.26 -5.05 118.95 110.88 2nxi s ARG 119 Ca 0.47 -1.65 -0.29 0.00 -1.72 0.00 0.00 55.73 52.54 2nxi s ARG 119 Cb -0.19 -0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.17 2nxi s ARG 119 CO 0.89 -0.27 1.46 0.00 -0.68 0.00 0.00 175.30 176.70 2nxi s ALA 120 N -3.85 3.64 -0.24 2.13 0.00 -0.97 -4.69 121.76 117.78 2nxi s ALA 120 Ca 0.33 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 2nxi s ALA 120 Cb 0.07 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2nxi s ALA 120 CO 0.10 -1.29 0.03 0.08 0.00 0.00 0.00 175.76 174.67 2nxi s VAL 121 N 3.78 3.87 -0.43 0.00 1.01 -0.82 0.16 120.40 127.99 2nxi s VAL 121 Ca 0.64 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 2nxi s VAL 121 Cb -0.27 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.39 2nxi s VAL 121 CO 0.22 0.33 0.25 0.21 0.00 0.00 0.00 175.10 176.11 2nxi s ASN 122 N 1.54 5.43 -0.33 3.32 2.47 -0.72 -0.94 114.94 125.72 2nxi s ASN 122 Ca 0.06 -1.89 -0.23 0.00 0.42 0.00 0.00 52.86 51.21 2nxi s ASN 122 Cb -0.15 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 2nxi s ASN 122 CO 0.01 -0.58 0.76 -0.69 -3.72 0.00 0.00 177.10 172.88 2nxi s VAL 123 N 1.25 4.79 0.31 -5.21 1.01 0.85 -1.64 120.40 121.76 2nxi s VAL 123 Ca 0.06 1.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 2nxi s VAL 123 Cb -0.24 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 2nxi s VAL 123 CO -0.02 -0.31 1.28 -0.54 0.00 0.00 0.00 175.10 175.51 2nxi s LYS 124 N 2.96 4.40 -0.08 2.72 -0.14 -0.20 -1.79 119.74 127.61 2nxi s LYS 124 Ca 0.31 2.14 -0.28 0.00 -1.36 0.00 0.00 55.97 56.78 2nxi s LYS 124 Cb -0.14 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2nxi s LYS 124 CO 0.14 -0.14 0.92 0.21 -0.76 0.00 0.00 175.35 175.72 2nxi s LYS 125 N -1.55 4.44 0.33 1.68 2.20 -0.47 -4.34 119.74 122.03 2nxi s LYS 125 Ca 0.49 1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 57.06 2nxi s LYS 125 Cb -0.38 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.32 2nxi s LYS 125 CO 0.49 -0.18 1.34 0.20 -0.36 0.00 0.00 175.35 176.85 2nxi s GLY 126 N 1.04 2.95 0.11 5.54 0.00 -1.26 -4.54 107.32 111.17 2nxi s GLY 126 Ca 0.46 1.32 0.06 0.00 0.00 0.00 0.00 44.72 46.56 2nxi s GLY 126 CO 0.20 1.99 1.13 -1.06 0.00 0.00 0.00 173.10 175.36 2nxi n GLN 127 N 0.83 0.04 -0.24 2.90 3.00 -1.26 -0.27 117.38 122.39 2nxi n GLN 127 Ca 0.01 0.49 0.08 0.00 -0.01 0.00 0.00 57.00 57.56 2nxi n GLN 127 Cb 0.41 -1.74 0.21 0.00 0.00 0.00 0.00 30.24 29.12 2nxi n GLN 127 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nxi n PHE 128 N -1.68 0.62 -4.26 1.08 1.16 -1.26 -1.53 117.46 111.59 2nxi n PHE 128 Ca -0.00 -0.49 -0.35 0.00 -1.87 0.00 0.00 57.45 54.74 2nxi n PHE 128 Cb 0.11 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 37.86 2nxi n PHE 128 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2nxi s LEU 129 N -1.01 3.61 0.44 5.98 1.43 0.63 -5.09 118.68 124.67 2nxi s LEU 129 Ca 0.31 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.28 2nxi s LEU 129 Cb 0.16 -1.86 -0.11 0.00 0.03 0.00 0.00 46.19 44.42 2nxi s LEU 129 CO 0.21 0.28 0.97 0.00 0.23 0.00 0.00 176.35 178.04 2nxi s ALA 130 N -0.26 3.01 0.24 4.21 0.00 -1.26 -4.87 121.76 122.84 2nxi s ALA 130 Ca 0.06 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 2nxi s ALA 130 Cb -0.12 -3.17 0.45 0.00 0.00 0.00 0.00 23.12 20.28 2nxi s ALA 130 CO 0.02 0.05 1.72 -1.35 0.00 0.00 0.00 175.76 176.20 2nxi h PRO 131 N 1.86 0.41 0.00 0.00 0.11 -1.98 0.63 132.00 133.03 2nxi h PRO 131 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2nxi h PRO 131 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2nxi h PRO 131 CO 0.61 0.27 0.00 -2.67 -0.21 0.00 0.00 178.00 176.00 2nxi n TRP 132 N -5.02 0.00 0.28 0.65 2.14 -1.26 -2.52 117.44 111.71 2nxi n TRP 132 Ca 0.14 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.83 2nxi n TRP 132 Cb 0.42 -0.22 0.13 0.00 -0.81 0.00 0.00 31.31 30.83 2nxi n TRP 132 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2nxi h ASP 133 N 0.00 0.00 0.00 -0.67 3.32 -1.23 -3.30 116.42 114.54 2nxi h ASP 133 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2nxi h ASP 133 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2nxi h ASP 133 CO 0.00 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 2nxi n THR 134 N -2.67 0.00 -0.08 0.35 -2.24 -1.05 -3.11 114.28 105.48 2nxi n THR 134 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2nxi n THR 134 Cb 0.51 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2nxi n THR 134 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nxi h LYS 135 N 0.00 0.87 0.00 -0.78 3.64 -1.79 -2.88 116.57 115.64 2nxi h LYS 135 Ca 0.00 -0.53 -0.14 0.00 -1.27 0.00 0.00 60.65 58.71 2nxi h LYS 135 Cb 0.00 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2nxi h LYS 135 CO 0.00 1.17 -0.66 -0.91 -2.27 0.00 0.00 179.45 176.78 2nxi h ASN 136 N 0.68 0.00 -0.18 4.20 2.35 -1.84 -0.40 115.58 120.39 2nxi h ASN 136 Ca 0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2nxi h ASN 136 Cb 1.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 2nxi h ASN 136 CO 0.11 0.66 -0.07 0.58 -1.65 0.00 0.00 177.43 177.06 2nxi h VAL 137 N 0.00 1.22 0.03 2.81 2.07 -1.69 0.26 116.25 120.94 2nxi h VAL 137 Ca -0.01 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.42 2nxi h VAL 137 Cb 1.18 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2nxi h VAL 137 CO 0.09 0.31 -0.64 0.58 0.02 0.00 0.00 177.57 177.92 2nxi h VAL 138 N 0.49 1.44 -0.90 2.57 2.07 -1.29 -3.14 116.25 117.49 2nxi h VAL 138 Ca 0.10 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.51 2nxi h VAL 138 Cb 0.43 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 2nxi h VAL 138 CO 0.02 0.63 0.58 -0.08 0.02 0.00 0.00 177.57 178.74 2nxi h GLU 139 N -0.15 1.01 -0.12 1.57 4.81 -0.74 -0.25 114.58 120.70 2nxi h GLU 139 Ca -0.09 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2nxi h GLU 139 Cb 1.38 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2nxi h GLU 139 CO 0.13 0.67 -0.02 0.87 -0.73 0.00 0.00 179.01 179.92 2nxi h LYS 140 N 1.04 0.17 0.00 1.92 1.57 -0.52 -2.35 116.57 118.40 2nxi h LYS 140 Ca 0.38 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.06 2nxi h LYS 140 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2nxi h LYS 140 CO -0.14 0.21 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.02 2nxi h LEU 141 N 0.17 0.00 -0.60 2.94 3.38 -1.05 -3.03 115.31 117.11 2nxi h LEU 141 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2nxi h LEU 141 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2nxi h LEU 141 CO 0.01 0.30 -0.16 0.11 0.09 0.00 0.00 178.44 178.78 2nxi h LYS 142 N 0.00 0.00 0.00 1.13 1.57 -0.73 -1.30 116.57 117.24 2nxi h LYS 142 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2nxi h LYS 142 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2nxi h LYS 142 CO 0.03 0.16 -0.67 0.34 -0.57 0.00 0.00 179.45 178.75 2nxi n PHE 143 N -3.20 0.19 0.87 -1.35 7.35 -0.95 -3.89 117.46 116.48 2nxi n PHE 143 Ca 0.02 0.05 0.12 0.00 -0.76 0.00 0.00 57.45 56.88 2nxi n PHE 143 Cb 0.50 -0.37 0.19 0.00 0.35 0.00 0.00 39.48 40.14 2nxi n PHE 143 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nxi n GLY 144 N 1.43 1.07 0.64 7.13 0.00 -1.06 -4.95 105.19 109.45 2nxi n GLY 144 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2nxi n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxi n GLY 145 N 1.37 0.81 3.81 -0.02 0.00 -1.18 -3.23 105.19 106.75 2nxi n GLY 145 Ca 0.16 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2nxi n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxi s ALA 146 N -2.00 3.28 0.00 4.61 0.00 -0.51 -4.73 121.76 122.40 2nxi s ALA 146 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2nxi s ALA 146 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2nxi s ALA 146 CO 0.00 0.25 0.54 1.63 0.00 0.00 0.00 175.76 178.18 2nxi n LYS 147 N 0.31 0.29 -3.40 0.00 5.02 -1.26 -4.66 118.16 114.46 2nxi n LYS 147 Ca 0.01 -0.67 -0.16 0.00 -2.02 0.00 0.00 58.31 55.48 2nxi n LYS 147 Cb 0.51 -0.86 -0.10 0.00 -0.02 0.00 0.00 35.03 34.56 2nxi n LYS 147 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nxi s GLU 148 N -0.25 0.31 -0.04 1.97 2.12 -1.26 -5.12 118.70 116.43 2nxi s GLU 148 Ca 0.00 -0.00 0.02 0.00 0.36 0.00 0.00 54.97 55.35 2nxi s GLU 148 Cb 0.00 -0.69 -0.03 0.00 0.26 0.00 0.00 34.13 33.67 2nxi s GLU 148 CO 0.00 -0.94 -0.07 0.42 -0.54 0.00 0.00 175.26 174.13 2nxi s ILE 149 N 2.39 3.64 -0.03 -3.70 -1.09 -1.26 -1.94 121.20 119.21 2nxi s ILE 149 Ca 0.09 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 2nxi s ILE 149 Cb -0.14 -2.52 0.01 0.00 -1.58 0.00 0.00 42.46 38.22 2nxi s ILE 149 CO -0.28 0.51 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.57 2nxi s TYR 150 N -0.89 0.75 -0.11 3.97 2.02 -0.11 -3.03 117.35 119.96 2nxi s TYR 150 Ca 0.14 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2nxi s TYR 150 Cb -0.11 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 2nxi s TYR 150 CO 0.04 -0.11 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.25 2nxi s LEU 151 N 0.37 2.59 -0.17 -1.29 1.43 -0.15 -0.11 118.68 121.35 2nxi s LEU 151 Ca -0.05 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2nxi s LEU 151 Cb -0.09 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2nxi s LEU 151 CO 0.00 0.19 -0.07 -0.89 0.23 0.00 0.00 176.35 175.81 2nxi s THR 152 N 0.19 3.46 -0.46 5.49 2.01 -0.74 -0.79 115.64 124.80 2nxi s THR 152 Ca -0.09 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 2nxi s THR 152 Cb -0.16 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.86 2nxi s THR 152 CO 0.06 0.48 0.99 -0.70 -0.69 0.00 0.00 174.62 174.76 2nxi s GLU 153 N 0.73 3.60 0.00 4.92 2.56 0.10 -1.37 118.70 129.25 2nxi s GLU 153 Ca -0.03 0.31 0.01 0.00 0.00 0.00 0.00 54.97 55.26 2nxi s GLU 153 Cb -0.15 -3.92 0.02 0.00 2.00 0.00 0.00 34.13 32.09 2nxi s GLU 153 CO 0.02 -1.27 0.86 2.89 -0.56 0.00 0.00 175.26 177.20 2nxi n ARG 154 N 7.37 1.67 0.00 4.30 1.85 -1.26 0.45 116.66 131.05 2nxi n ARG 154 Ca 0.08 -1.22 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 2nxi n ARG 154 Cb 0.49 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 2nxi n ARG 154 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nxi n GLY 155 N -0.23 2.72 3.12 2.89 0.00 -1.26 -3.22 105.19 109.19 2nxi n GLY 155 Ca 0.01 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 2nxi n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxi s THR 156 N -2.74 1.00 0.25 2.61 2.01 -0.65 -4.22 115.64 113.90 2nxi s THR 156 Ca 0.00 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.76 2nxi s THR 156 Cb 0.00 -0.91 -0.12 0.00 0.01 0.00 0.00 72.50 71.48 2nxi s THR 156 CO 0.00 -0.01 1.58 0.41 -0.69 0.00 0.00 174.62 175.91 2nxi n THR 157 N 1.97 0.69 -3.44 -0.82 -1.04 -0.58 -1.30 114.28 109.76 2nxi n THR 157 Ca -0.18 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.37 2nxi n THR 157 Cb 0.55 -1.83 -0.11 0.00 -1.82 0.00 0.00 70.33 67.12 2nxi n THR 157 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nxi s PHE 158 N 0.32 0.81 0.00 -1.42 5.36 -0.55 -4.77 117.98 117.74 2nxi s PHE 158 Ca 0.69 -1.83 0.00 0.00 -0.96 0.00 0.00 56.93 54.83 2nxi s PHE 158 Cb -0.55 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 2nxi s PHE 158 CO 0.44 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 2nxi n GLY 159 N 3.69 -0.35 3.88 13.12 0.00 -1.26 -4.34 105.19 119.92 2nxi n GLY 159 Ca 0.17 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2nxi n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nxi s TYR 160 N 0.00 3.60 -1.47 1.61 2.02 -1.26 -4.50 117.35 117.35 2nxi s TYR 160 Ca 0.00 0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 57.29 2nxi s TYR 160 Cb 0.00 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2nxi s TYR 160 CO 0.00 0.65 0.24 0.09 -1.57 0.00 0.00 175.55 174.96 2nxi n ASN 161 N 1.42 0.22 -3.62 2.29 4.13 -1.26 -4.95 115.26 113.50 2nxi n ASN 161 Ca -0.14 -1.13 -0.12 0.00 1.68 0.00 0.00 54.58 54.87 2nxi n ASN 161 Cb 0.53 -2.41 -0.07 0.00 -1.54 0.00 0.00 39.78 36.30 2nxi n ASN 161 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2nxi s ASN 162 N -4.38 -0.57 0.01 6.41 2.47 -1.26 -4.37 114.94 113.25 2nxi s ASN 162 Ca 0.00 1.01 0.06 0.00 0.42 0.00 0.00 52.86 54.35 2nxi s ASN 162 Cb -0.00 1.00 -0.02 0.00 -1.45 0.00 0.00 41.25 40.78 2nxi s ASN 162 CO 0.94 -0.25 -0.18 -0.76 -3.72 0.00 0.00 177.10 173.13 2nxi s LEU 163 N 0.01 2.09 0.05 3.21 1.43 -1.26 -1.47 118.68 122.73 2nxi s LEU 163 Ca 0.00 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 2nxi s LEU 163 Cb -0.04 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2nxi s LEU 163 CO -0.01 0.17 -0.21 0.54 0.23 0.00 0.00 176.35 177.07 2nxi s VAL 164 N -0.57 2.56 -0.53 -1.59 0.11 -0.42 -4.84 120.40 115.12 2nxi s VAL 164 Ca 0.06 -1.27 -0.15 0.00 -2.93 0.00 0.00 61.98 57.69 2nxi s VAL 164 Cb -0.07 -2.05 0.13 0.00 -1.53 0.00 0.00 36.38 32.85 2nxi s VAL 164 CO 0.00 0.34 0.47 -0.69 -3.33 0.00 0.00 175.10 171.89 2nxi s VAL 165 N -0.89 5.00 -0.81 2.04 1.01 -1.26 -1.64 120.40 123.85 2nxi s VAL 165 Ca 0.14 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 2nxi s VAL 165 Cb -0.10 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2nxi s VAL 165 CO 0.04 -0.85 1.29 -0.62 0.00 0.00 0.00 175.10 174.96 2nxi s ASP 166 N 3.39 6.27 0.00 3.32 -1.08 -1.26 -4.85 116.67 122.46 2nxi s ASP 166 Ca 0.04 -0.83 0.06 0.00 -0.52 0.00 0.00 52.55 51.30 2nxi s ASP 166 Cb -0.29 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 38.94 2nxi s ASP 166 CO 0.02 -1.69 0.86 0.49 0.52 0.00 0.00 175.17 175.37 2nxi n PHE 167 N 8.99 0.00 0.58 -5.34 3.72 -1.26 -1.70 117.46 122.45 2nxi n PHE 167 Ca 0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 2nxi n PHE 167 Cb 0.49 -0.07 0.44 0.00 -0.94 0.00 0.00 39.48 39.40 2nxi n PHE 167 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2nxi n ARG 168 N -1.07 0.11 0.09 -1.08 1.74 -1.26 -2.95 116.66 112.23 2nxi n ARG 168 Ca 0.04 0.26 -0.03 0.00 -0.77 0.00 0.00 57.85 57.34 2nxi n ARG 168 Cb 0.03 -1.67 0.20 0.00 -1.02 0.00 0.00 32.46 29.99 2nxi n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2nxi h SER 169 N 0.00 0.27 0.30 0.55 4.64 -1.74 -3.04 113.55 114.54 2nxi h SER 169 Ca 0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2nxi h SER 169 Cb 0.41 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2nxi h SER 169 CO 0.00 0.69 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.43 2nxi h LEU 170 N 0.21 -0.34 -1.61 5.97 4.07 -1.78 -0.71 115.31 121.12 2nxi h LEU 170 Ca 0.02 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 2nxi h LEU 170 Cb 0.87 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2nxi h LEU 170 CO 0.07 -0.16 -0.21 -0.65 -1.08 0.00 0.00 178.44 176.40 2nxi h PRO 171 N -0.51 0.00 0.04 1.13 0.11 -1.76 -2.32 132.00 128.70 2nxi h PRO 171 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2nxi h PRO 171 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2nxi h PRO 171 CO 0.07 0.21 -0.02 0.82 -0.21 0.00 0.00 178.00 178.87 2nxi h ILE 172 N 0.00 1.29 -0.09 4.15 2.04 -1.40 -3.33 117.51 120.18 2nxi h ILE 172 Ca -0.00 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 2nxi h ILE 172 Cb 0.41 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2nxi h ILE 172 CO 0.03 0.38 -0.07 0.24 0.00 0.00 0.00 178.15 178.73 2nxi h MET 173 N -0.85 0.12 0.00 2.37 2.86 -1.11 -2.61 114.93 115.71 2nxi h MET 173 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2nxi h MET 173 Cb 0.67 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2nxi h MET 173 CO 0.01 0.21 0.00 1.63 1.06 0.00 0.00 176.91 179.82 2nxi n LYS 174 N -4.38 0.01 0.03 1.72 5.02 -0.88 -2.11 118.16 117.57 2nxi n LYS 174 Ca -0.02 0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 2nxi n LYS 174 Cb 0.19 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 34.12 2nxi n LYS 174 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2nxi n GLN 175 N -1.40 0.05 -0.78 1.97 6.02 -0.98 -3.92 117.38 118.34 2nxi n GLN 175 Ca 0.01 0.21 -0.01 0.00 -0.01 0.00 0.00 57.00 57.20 2nxi n GLN 175 Cb 0.02 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 2nxi n GLN 175 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 2nxi n TRP 176 N -1.66 0.00 0.00 1.08 2.14 -0.90 -5.13 117.44 112.96 2nxi n TRP 176 Ca 0.04 -0.20 0.00 0.00 2.07 0.00 0.00 57.50 59.41 2nxi n TRP 176 Cb 0.24 0.20 0.00 0.00 -0.81 0.00 0.00 31.31 30.94 2nxi n TRP 176 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nxi n ALA 177 N 0.07 0.00 -2.27 -1.67 0.00 -1.20 -4.93 120.51 110.51 2nxi n ALA 177 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 2nxi n ALA 177 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 2nxi n ALA 177 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2nxi s LYS 178 N -2.00 3.94 -0.07 0.00 1.02 -1.17 -4.14 119.74 117.33 2nxi s LYS 178 Ca 0.00 0.51 0.05 0.00 0.02 0.00 0.00 55.97 56.55 2nxi s LYS 178 Cb 0.00 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2nxi s LYS 178 CO 0.00 0.29 -0.22 0.08 -0.92 0.00 0.00 175.35 174.57 2nxi s VAL 179 N -1.80 2.30 0.06 3.17 1.01 -1.26 -0.98 120.40 122.89 2nxi s VAL 179 Ca 0.48 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2nxi s VAL 179 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2nxi s VAL 179 CO 0.19 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 175.07 2nxi s ILE 180 N -0.10 2.95 -0.37 2.22 1.09 0.03 0.30 121.20 127.32 2nxi s ILE 180 Ca -0.05 -1.21 -0.06 0.00 -1.10 0.00 0.00 60.65 58.24 2nxi s ILE 180 Cb -0.14 -2.28 0.07 0.00 -1.06 0.00 0.00 42.46 39.04 2nxi s ILE 180 CO 0.04 0.28 0.16 -0.47 -0.10 0.00 0.00 174.94 174.85 2nxi s TYR 181 N -1.00 3.34 -0.60 3.97 5.04 -0.84 0.02 117.35 127.28 2nxi s TYR 181 Ca 0.16 -1.69 -0.26 0.00 -2.44 0.00 0.00 57.07 52.84 2nxi s TYR 181 Cb -0.11 -2.64 -0.05 0.00 0.35 0.00 0.00 41.96 39.52 2nxi s TYR 181 CO 0.07 -0.82 2.10 0.34 -1.34 0.00 0.00 175.55 175.91 2nxi s ASP 182 N 1.69 4.87 0.46 4.32 -1.08 0.17 -2.29 116.67 124.81 2nxi s ASP 182 Ca 0.01 0.52 0.26 0.00 -0.52 0.00 0.00 52.55 52.82 2nxi s ASP 182 Cb -0.21 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.52 2nxi s ASP 182 CO 0.01 -2.68 1.77 0.00 0.52 0.00 0.00 175.17 174.78 2nxi h ALA 183 N 16.28 0.97 0.00 3.66 0.00 -1.22 -3.05 119.26 135.90 2nxi h ALA 183 Ca -0.21 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.34 2nxi h ALA 183 Cb 1.18 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2nxi h ALA 183 CO 1.18 0.12 -1.99 0.25 0.00 0.00 0.00 179.25 178.81 2nxi n THR 184 N -3.16 1.26 1.10 0.00 -2.24 -1.26 -4.38 114.28 105.60 2nxi n THR 184 Ca 0.02 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.14 2nxi n THR 184 Cb 0.45 -0.61 0.17 0.00 -2.10 0.00 0.00 70.33 68.24 2nxi n THR 184 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nxi n HIS 185 N -2.80 0.00 1.09 4.78 8.25 -1.24 -4.12 115.22 121.18 2nxi n HIS 185 Ca -0.22 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.37 2nxi n HIS 185 Cb 1.01 -0.08 0.29 0.00 1.12 0.00 0.00 29.99 32.32 2nxi n HIS 185 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2nxi n SER 186 N -0.67 0.71 -0.33 0.41 7.64 -1.15 -3.93 113.62 116.30 2nxi n SER 186 Ca 0.09 -0.51 0.03 0.00 1.01 0.00 0.00 58.87 59.49 2nxi n SER 186 Cb 0.38 0.23 0.08 0.00 -1.01 0.00 0.00 64.21 63.89 2nxi n SER 186 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2nxi n VAL 187 N -1.18 1.03 -3.45 0.44 0.24 -1.26 -4.70 118.33 109.46 2nxi n VAL 187 Ca 0.08 -1.03 -0.29 0.00 -2.04 0.00 0.00 64.34 61.06 2nxi n VAL 187 Cb 0.34 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 2nxi n VAL 187 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nxi s GLN 188 N -1.05 3.62 -0.55 7.34 1.03 -1.25 -2.66 119.66 126.14 2nxi s GLN 188 Ca 0.12 -0.06 -0.10 0.00 0.04 0.00 0.00 55.36 55.37 2nxi s GLN 188 Cb 0.07 -2.70 0.14 0.00 0.03 0.00 0.00 33.01 30.54 2nxi s GLN 188 CO 0.08 0.28 0.44 -0.51 -2.54 0.00 0.00 175.29 173.04 2nxi s LEU 189 N -3.37 5.87 0.43 2.60 1.02 -1.26 -4.25 118.68 119.71 2nxi s LEU 189 Ca 0.43 -2.10 -0.25 0.00 0.02 0.00 0.00 54.13 52.22 2nxi s LEU 189 Cb -0.11 -2.05 -0.10 0.00 0.02 0.00 0.00 46.19 43.95 2nxi s LEU 189 CO 0.29 -0.67 1.18 -0.81 0.02 0.00 0.00 176.35 176.36 2nxi n PRO 190 N 4.68 1.70 -1.31 1.29 -0.04 -1.26 -4.62 135.00 135.44 2nxi n PRO 190 Ca -0.04 0.61 -0.11 0.00 -0.04 0.00 0.00 63.50 63.92 2nxi n PRO 190 Cb 0.41 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2nxi n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nxi n GLY 191 N 0.94 1.07 0.00 0.55 0.00 -1.26 -4.18 105.19 102.31 2nxi n GLY 191 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2nxi n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxi n GLY 199 N -0.24 5.45 2.94 -0.02 0.00 -1.26 -4.99 105.19 107.06 2nxi n GLY 199 Ca -0.11 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 2nxi n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxi s MET 200 N 1.77 1.72 0.42 1.61 -1.94 -1.09 -4.85 119.30 116.95 2nxi s MET 200 Ca 0.00 -0.49 0.20 0.00 -1.71 0.00 0.00 55.69 53.69 2nxi s MET 200 Cb 0.00 -1.95 0.94 0.00 2.01 0.00 0.00 34.83 35.83 2nxi s MET 200 CO 0.00 -0.34 1.87 -0.09 -0.01 0.00 0.00 175.02 176.45 2nxi h ARG 201 N 8.10 0.00 -0.01 2.03 2.43 -1.89 -3.17 114.38 121.87 2nxi h ARG 201 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2nxi h ARG 201 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2nxi h ARG 201 CO 0.44 0.28 0.04 1.05 -1.51 0.00 0.00 179.97 180.28 2nxi h GLU 202 N 0.00 0.00 -0.01 0.20 4.11 -1.95 -2.34 114.58 114.59 2nxi h GLU 202 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nxi h GLU 202 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2nxi h GLU 202 CO 0.04 0.00 -0.52 1.19 0.07 0.00 0.00 179.01 179.79 2nxi n PHE 203 N -3.24 0.00 0.08 2.06 3.72 -1.20 -4.48 117.46 114.40 2nxi n PHE 203 Ca -0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 2nxi n PHE 203 Cb 0.12 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2nxi n PHE 203 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nxi h ILE 204 N 1.77 0.00 0.48 4.37 1.08 -1.59 -2.19 117.51 121.43 2nxi h ILE 204 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2nxi h ILE 204 Cb 0.66 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2nxi h ILE 204 CO 0.00 0.00 -0.37 0.15 -0.69 0.00 0.00 178.15 177.24 2nxi h PHE 205 N -0.30 -1.00 -0.82 1.37 3.57 -1.80 -1.45 116.94 116.51 2nxi h PHE 205 Ca -0.02 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.64 2nxi h PHE 205 Cb 0.26 0.38 -0.15 0.00 2.79 0.00 0.00 35.95 39.23 2nxi h PHE 205 CO -0.16 -0.54 -0.24 -1.35 -2.23 0.00 0.00 178.31 173.78 2nxi h PRO 206 N -0.84 -0.02 0.00 6.41 0.11 -1.78 0.90 132.00 136.77 2nxi h PRO 206 Ca -0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2nxi h PRO 206 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 2nxi h PRO 206 CO 0.00 -0.01 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.47 2nxi h LEU 207 N -0.02 0.00 -0.15 2.35 4.07 -1.25 -2.77 115.31 117.54 2nxi h LEU 207 Ca 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.32 2nxi h LEU 207 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2nxi h LEU 207 CO -0.85 0.24 0.07 0.40 -1.08 0.00 0.00 178.44 177.21 2nxi h ILE 208 N 0.00 1.14 -0.98 1.22 2.04 0.19 -1.77 117.51 119.35 2nxi h ILE 208 Ca -0.00 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2nxi h ILE 208 Cb 0.64 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 2nxi h ILE 208 CO 0.03 0.13 0.62 0.03 0.00 0.00 0.00 178.15 178.96 2nxi h ARG 209 N 0.10 1.06 -0.65 2.37 3.08 -0.89 -1.37 114.38 118.08 2nxi h ARG 209 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2nxi h ARG 209 Cb 0.14 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2nxi h ARG 209 CO -0.01 0.70 0.34 0.00 -1.07 0.00 0.00 179.97 179.93 2nxi h ALA 210 N 1.47 0.83 -0.13 0.04 0.00 -1.30 -0.87 119.26 119.30 2nxi h ALA 210 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2nxi h ALA 210 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2nxi h ALA 210 CO -0.20 0.37 0.08 0.00 0.00 0.00 0.00 179.25 179.50 2nxi h ALA 211 N 1.16 0.17 -0.16 0.00 0.00 -0.39 0.97 119.26 121.00 2nxi h ALA 211 Ca 0.23 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2nxi h ALA 211 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nxi h ALA 211 CO -0.03 -0.35 -0.56 -0.39 0.00 0.00 0.00 179.25 177.91 2nxi h VAL 212 N 0.17 1.33 -0.31 0.00 -1.51 -1.30 0.27 116.25 114.90 2nxi h VAL 212 Ca 0.05 -1.83 -0.03 0.00 -1.23 0.00 0.00 66.70 63.65 2nxi h VAL 212 Cb -0.01 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 2nxi h VAL 212 CO -0.02 0.56 0.07 0.00 -1.23 0.00 0.00 177.57 176.96 2nxi h ALA 213 N 1.00 0.41 0.36 5.19 0.00 -1.01 -2.94 119.26 122.27 2nxi h ALA 213 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2nxi h ALA 213 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2nxi h ALA 213 CO 0.10 0.08 -0.17 0.28 0.00 0.00 0.00 179.25 179.54 2nxi h VAL 214 N 0.34 0.66 0.00 0.00 2.07 -0.68 -3.47 116.25 115.17 2nxi h VAL 214 Ca 0.10 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2nxi h VAL 214 Cb 0.31 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2nxi h VAL 214 CO 0.00 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2nxi n GLY 215 N -0.89 2.24 3.25 2.17 0.00 0.94 -4.86 105.19 108.04 2nxi n GLY 215 Ca -0.10 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 2nxi n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxi n ASP 217 N 0.47 0.29 0.00 0.00 8.00 0.15 -4.92 116.55 120.54 2nxi n ASP 217 Ca -0.15 0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2nxi n ASP 217 Cb 0.57 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2nxi n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nxi n GLY 218 N 0.93 0.61 3.50 0.44 0.00 -0.94 -3.22 105.19 106.51 2nxi n GLY 218 Ca 0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2nxi n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nxi s VAL 219 N -2.00 2.90 -0.06 1.61 0.11 0.19 -1.99 120.40 121.16 2nxi s VAL 219 Ca 0.00 -1.50 0.06 0.00 -2.93 0.00 0.00 61.98 57.61 2nxi s VAL 219 Cb 0.00 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 2nxi s VAL 219 CO 0.00 0.09 -0.24 0.12 -3.33 0.00 0.00 175.10 171.74 2nxi s PHE 220 N -1.18 2.47 -0.28 1.54 5.36 -0.97 -0.79 117.98 124.13 2nxi s PHE 220 Ca 0.19 -0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 55.32 2nxi s PHE 220 Cb -0.10 -1.61 0.12 0.00 -0.34 0.00 0.00 43.02 41.09 2nxi s PHE 220 CO 0.11 -0.17 0.92 0.00 -1.46 0.00 0.00 175.22 174.62 2nxi s MET 221 N -0.22 0.50 -0.17 10.12 0.23 0.62 -0.76 119.30 129.63 2nxi s MET 221 Ca -0.02 0.77 -0.11 0.00 -1.03 0.00 0.00 55.69 55.31 2nxi s MET 221 Cb -0.13 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.27 2nxi s MET 221 CO 0.03 -0.09 0.18 -1.21 -2.03 0.00 0.00 175.02 171.91 2nxi s GLU 222 N 1.06 4.11 0.34 3.16 2.02 -1.26 -3.51 118.70 124.62 2nxi s GLU 222 Ca -0.06 -0.10 0.09 0.00 0.02 0.00 0.00 54.97 54.92 2nxi s GLU 222 Cb -0.04 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.74 2nxi s GLU 222 CO -0.13 0.35 -0.01 -0.08 0.02 0.00 0.00 175.26 175.41 2nxi s THR 223 N 0.18 2.50 -0.25 3.63 -1.32 0.72 -1.62 115.64 119.48 2nxi s THR 223 Ca 0.12 -2.03 -0.10 0.00 -1.21 0.00 0.00 61.69 58.47 2nxi s THR 223 Cb -0.12 -2.77 0.10 0.00 -1.51 0.00 0.00 72.50 68.20 2nxi s THR 223 CO 0.01 -0.19 0.56 -2.28 -2.21 0.00 0.00 174.62 170.51 2nxi s HIS 224 N -2.55 -1.04 0.43 9.09 2.46 0.05 -4.11 115.29 119.62 2nxi s HIS 224 Ca 0.34 1.93 0.32 0.00 0.47 0.00 0.00 55.06 58.13 2nxi s HIS 224 Cb 0.01 0.56 1.47 0.00 -0.13 0.00 0.00 32.58 34.49 2nxi s HIS 224 CO 0.19 -0.54 1.53 -2.30 -2.47 0.00 0.00 174.74 171.14 2nxi n PRO 225 N 5.03 -0.03 -3.30 2.88 -0.02 -1.26 -2.97 135.00 135.33 2nxi n PRO 225 Ca -0.14 1.22 -0.16 0.00 -2.02 0.00 0.00 63.50 62.40 2nxi n PRO 225 Cb 0.52 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 2nxi n PRO 225 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2nxi s GLU 226 N -5.20 0.73 0.18 -0.52 2.02 -1.26 -4.63 118.70 110.03 2nxi s GLU 226 Ca -0.07 -1.03 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 2nxi s GLU 226 Cb 0.30 -0.71 0.12 0.00 0.10 0.00 0.00 34.13 33.94 2nxi s GLU 226 CO 0.80 -1.24 1.60 -1.35 0.02 0.00 0.00 175.26 175.09 2nxi h PRO 227 N 6.64 -0.16 -0.49 0.39 0.11 -1.84 -1.94 132.00 134.70 2nxi h PRO 227 Ca 0.08 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.35 2nxi h PRO 227 Cb 1.05 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2nxi h PRO 227 CO 0.19 -0.11 0.36 1.05 -0.21 0.00 0.00 178.00 179.29 2nxi h GLU 228 N -0.17 0.00 -0.06 1.05 9.09 -1.93 0.28 114.58 122.85 2nxi h GLU 228 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 2nxi h GLU 228 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2nxi h GLU 228 CO -0.63 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.06 2nxi n LYS 229 N -4.34 1.60 -1.31 1.06 5.02 -0.74 -4.93 118.16 114.52 2nxi n LYS 229 Ca 0.09 -0.88 -0.34 0.00 -2.02 0.00 0.00 58.31 55.16 2nxi n LYS 229 Cb 0.57 -1.45 0.11 0.00 -0.02 0.00 0.00 35.03 34.24 2nxi n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nxi s ALA 230 N -1.94 2.00 -0.16 7.82 0.00 0.98 -4.96 121.76 125.50 2nxi s ALA 230 Ca 0.37 0.94 0.17 0.00 0.00 0.00 0.00 51.96 53.44 2nxi s ALA 230 Cb 0.20 -3.51 -0.25 0.00 0.00 0.00 0.00 23.12 19.57 2nxi s ALA 230 CO 0.31 -2.08 0.24 1.28 0.00 0.00 0.00 175.76 175.51 2nxi n LEU 231 N -2.90 0.21 -4.14 0.00 4.77 -1.26 -4.65 117.00 109.04 2nxi n LEU 231 Ca 0.14 0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 2nxi n LEU 231 Cb 0.50 0.39 -0.17 0.00 -2.33 0.00 0.00 43.42 41.82 2nxi n LEU 231 CO 0.48 0.44 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.91 2nxi s SER 232 N -5.58 2.43 -1.27 -1.43 0.15 -1.26 -4.58 113.70 102.16 2nxi s SER 232 Ca -0.09 -0.42 -0.20 0.00 0.70 0.00 0.00 55.95 55.94 2nxi s SER 232 Cb 0.07 -0.99 0.02 0.00 -1.71 0.00 0.00 66.02 63.40 2nxi s SER 232 CO 0.83 0.12 0.58 0.47 1.20 0.00 0.00 173.24 176.44 2nxi n ASP 233 N 3.50 -3.17 0.09 5.45 10.43 -1.26 -4.80 116.55 126.79 2nxi n ASP 233 Ca -0.20 -1.16 0.08 0.00 2.57 0.00 0.00 54.79 56.07 2nxi n ASP 233 Cb 0.52 -2.42 0.37 0.00 1.84 0.00 0.00 41.12 41.43 2nxi n ASP 233 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2nxi n ALA 234 N -4.62 1.24 0.10 2.24 0.00 -1.26 -1.92 120.51 116.28 2nxi n ALA 234 Ca -0.17 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 2nxi n ALA 234 Cb 0.61 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 2nxi n ALA 234 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2nxi h SER 235 N 0.00 0.66 1.71 0.00 0.02 -1.87 -3.35 113.55 110.72 2nxi h SER 235 Ca 0.00 -0.85 -0.04 0.00 -0.84 0.00 0.00 61.79 60.06 2nxi h SER 235 Cb 0.11 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2nxi h SER 235 CO 0.00 1.70 -0.30 0.71 -1.14 0.00 0.00 176.83 177.80 2nxi h THR 236 N 0.11 0.27 -2.71 -2.27 1.35 -1.67 -3.38 112.91 104.61 2nxi h THR 236 Ca -0.29 -1.39 -0.52 0.00 -0.55 0.00 0.00 66.41 63.65 2nxi h THR 236 Cb 2.11 2.08 0.04 0.00 -1.73 0.00 0.00 68.15 70.65 2nxi h THR 236 CO 0.21 0.15 0.97 -1.10 -0.25 0.00 0.00 175.52 175.51 2nxi s GLN 237 N -3.14 4.17 -0.14 4.72 -1.52 -0.96 -4.77 119.66 118.02 2nxi s GLN 237 Ca 0.05 2.47 -0.05 0.00 -1.95 0.00 0.00 55.36 55.88 2nxi s GLN 237 Cb 0.06 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.57 2nxi s GLN 237 CO 0.71 -0.70 0.04 -1.17 -0.25 0.00 0.00 175.29 173.91 2nxi s LEU 238 N 1.57 3.73 -0.11 2.90 0.20 -0.64 -4.80 118.68 121.52 2nxi s LEU 238 Ca 0.74 0.11 -0.40 0.00 0.69 0.00 0.00 54.13 55.27 2nxi s LEU 238 Cb -0.46 -1.90 -0.17 0.00 -0.43 0.00 0.00 46.19 43.23 2nxi s LEU 238 CO 0.32 0.26 1.46 -2.65 -0.29 0.00 0.00 176.35 175.45 2nxi n PRO 239 N 2.93 0.83 -0.33 0.98 -0.02 -1.26 -0.77 135.00 137.36 2nxi n PRO 239 Ca -0.18 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2nxi n PRO 239 Cb 0.53 -1.92 0.32 0.00 -0.02 0.00 0.00 33.50 32.41 2nxi n PRO 239 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2nxi h LEU 240 N 5.21 0.65 0.10 2.45 5.85 -1.81 -2.14 115.31 125.62 2nxi h LEU 240 Ca -0.47 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2nxi h LEU 240 Cb 1.35 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 2nxi h LEU 240 CO 0.84 0.18 -0.20 0.77 -0.34 0.00 0.00 178.44 179.70 2nxi h SER 241 N 0.64 -0.55 0.00 1.25 4.64 -1.91 -2.18 113.55 115.44 2nxi h SER 241 Ca 0.58 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 2nxi h SER 241 Cb 0.97 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nxi h SER 241 CO -0.43 -0.28 0.10 1.56 -0.87 0.00 0.00 176.83 176.92 2nxi h GLN 242 N -0.37 0.00 -0.69 4.77 4.20 -1.75 -2.89 115.11 118.37 2nxi h GLN 242 Ca 0.03 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.92 2nxi h GLN 242 Cb 0.39 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2nxi h GLN 242 CO -0.11 0.00 0.49 1.25 -0.67 0.00 0.00 178.83 179.79 2nxi h LEU 243 N 0.00 0.09 0.52 1.46 6.46 -1.31 -2.74 115.31 119.79 2nxi h LEU 243 Ca 0.00 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2nxi h LEU 243 Cb 0.19 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2nxi h LEU 243 CO 0.00 0.04 -0.25 -0.08 -0.62 0.00 0.00 178.44 177.53 2nxi h GLU 244 N 0.09 -0.67 -0.58 1.25 4.81 -1.70 -3.13 114.58 114.64 2nxi h GLU 244 Ca 0.33 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2nxi h GLU 244 Cb 1.19 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.63 2nxi h GLU 244 CO -0.03 -0.45 -0.56 0.78 -0.73 0.00 0.00 179.01 178.02 2nxi h GLY 245 N -1.12 -0.93 -0.65 1.92 0.00 -1.72 -1.50 103.07 99.07 2nxi h GLY 245 Ca -0.07 0.73 0.16 0.00 0.00 0.00 0.00 47.33 48.15 2nxi h GLY 245 CO 0.12 -0.07 -0.23 -2.22 0.00 0.00 0.00 176.54 174.13 2nxi h ILE 246 N -0.28 0.16 0.00 2.60 5.03 -1.63 0.26 117.51 123.65 2nxi h ILE 246 Ca 0.10 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.83 2nxi h ILE 246 Cb 0.54 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 2nxi h ILE 246 CO -0.70 0.00 -0.05 0.40 -0.68 0.00 0.00 178.15 177.12 2nxi h ILE 247 N -0.02 0.62 -0.06 -0.67 2.04 -1.22 -0.76 117.51 117.44 2nxi h ILE 247 Ca 0.37 -0.20 -0.21 0.00 1.00 0.00 0.00 64.86 65.82 2nxi h ILE 247 Cb 0.60 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2nxi h ILE 247 CO -0.84 0.05 -0.82 -0.33 0.00 0.00 0.00 178.15 176.20 2nxi h GLU 248 N 0.00 0.50 -0.25 2.37 4.39 -0.20 -2.92 114.58 118.47 2nxi h GLU 248 Ca -0.00 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.18 2nxi h GLU 248 Cb 0.12 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2nxi h GLU 248 CO 0.01 1.09 -0.09 0.00 -1.16 0.00 0.00 179.01 178.86 2nxi h ALA 249 N 0.77 0.35 0.03 3.43 0.00 -0.53 -1.81 119.26 121.50 2nxi h ALA 249 Ca -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2nxi h ALA 249 Cb 1.43 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2nxi h ALA 249 CO 0.15 0.18 -0.36 0.82 0.00 0.00 0.00 179.25 180.04 2nxi h ILE 250 N 0.24 0.25 -0.13 0.00 5.03 -1.26 -0.91 117.51 120.73 2nxi h ILE 250 Ca 0.06 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.84 2nxi h ILE 250 Cb 0.57 0.25 -0.04 0.00 -3.03 0.00 0.00 36.82 34.57 2nxi h ILE 250 CO 0.03 0.00 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.32 2nxi h LEU 251 N -0.53 -0.34 -0.90 1.44 3.38 -1.50 0.43 115.31 117.30 2nxi h LEU 251 Ca 0.05 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2nxi h LEU 251 Cb 0.60 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2nxi h LEU 251 CO -0.27 -0.14 0.55 -0.33 0.09 0.00 0.00 178.44 178.34 2nxi h GLU 252 N -0.12 0.93 0.00 1.13 5.08 -1.08 0.18 114.58 120.70 2nxi h GLU 252 Ca 0.09 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2nxi h GLU 252 Cb 0.24 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2nxi h GLU 252 CO -0.21 0.62 -0.23 0.82 -1.00 0.00 0.00 179.01 179.01 2nxi h ILE 253 N 0.96 1.56 -0.41 3.13 2.04 -0.85 -3.08 117.51 120.85 2nxi h ILE 253 Ca 0.41 -1.95 0.12 0.00 1.00 0.00 0.00 64.86 64.43 2nxi h ILE 253 Cb 0.27 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2nxi h ILE 253 CO -0.21 0.53 0.31 -0.09 0.00 0.00 0.00 178.15 178.69 2nxi h ARG 254 N -0.53 0.00 0.50 2.37 2.43 0.13 0.11 114.38 119.39 2nxi h ARG 254 Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2nxi h ARG 254 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2nxi h ARG 254 CO 0.05 0.00 -0.24 1.49 -1.51 0.00 0.00 179.97 179.76 2nxi h GLU 255 N 0.00 -0.64 -0.70 0.20 4.57 -0.58 0.82 114.58 118.24 2nxi h GLU 255 Ca 0.19 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 2nxi h GLU 255 Cb 0.81 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 2nxi h GLU 255 CO -0.00 -0.43 0.29 0.28 -1.18 0.00 0.00 179.01 177.97 2nxi h VAL 256 N -0.69 1.24 0.00 0.32 2.07 -1.35 -3.17 116.25 114.67 2nxi h VAL 256 Ca -0.07 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 2nxi h VAL 256 Cb 0.51 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2nxi h VAL 256 CO 0.11 0.30 -0.59 0.00 0.02 0.00 0.00 177.57 177.41 2nxi h ALA 257 N 1.14 0.82 -0.97 1.67 0.00 -0.86 -3.23 119.26 117.83 2nxi h ALA 257 Ca 0.24 -0.54 0.19 0.00 0.00 0.00 0.00 54.91 54.79 2nxi h ALA 257 Cb 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2nxi h ALA 257 CO -0.02 0.74 0.61 0.66 0.00 0.00 0.00 179.25 181.24 2nxi h SER 258 N 0.00 0.65 -0.76 0.00 4.64 -0.79 0.16 113.55 117.45 2nxi h SER 258 Ca -0.01 0.07 0.17 0.00 -0.47 0.00 0.00 61.79 61.55 2nxi h SER 258 Cb 1.20 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 2nxi h SER 258 CO 0.08 0.26 0.52 0.50 -0.87 0.00 0.00 176.83 177.31 2nxi h LYS 259 N 0.65 0.32 -0.24 4.77 3.64 -1.71 -2.23 116.57 121.77 2nxi h LYS 259 Ca 0.53 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2nxi h LYS 259 Cb 0.97 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2nxi h LYS 259 CO -0.29 0.21 0.00 0.66 -2.27 0.00 0.00 179.45 177.76 2nxi n TYR 260 N -4.46 0.29 -1.81 1.91 4.01 0.56 -4.98 117.16 112.68 2nxi n TYR 260 Ca 0.15 -0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2nxi n TYR 260 Cb 0.60 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2nxi n TYR 260 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2nxi s TYR 261 N -1.71 2.59 1.33 -0.72 2.02 -0.84 -4.96 117.35 115.06 2nxi s TYR 261 Ca 0.34 1.16 -0.19 0.00 -0.37 0.00 0.00 57.07 58.01 2nxi s TYR 261 Cb 0.22 -4.02 0.34 0.00 -0.40 0.00 0.00 41.96 38.09 2nxi s TYR 261 CO 0.31 -3.00 0.97 -1.21 -1.57 0.00 0.00 175.55 171.05 2nxi s GLU 262 N -2.05 -2.21 0.00 -0.62 8.01 -1.26 -5.05 118.70 115.52 2nxi s GLU 262 Ca 0.53 0.39 0.00 0.00 0.01 0.00 0.00 54.97 55.90 2nxi s GLU 262 Cb -0.46 -1.44 0.00 0.00 -4.31 0.00 0.00 34.13 27.91 2nxi s GLU 262 CO 0.63 -4.46 0.00 0.25 0.01 0.00 0.00 175.26 171.69 2nxi n THR 263 N -5.37 0.00 0.86 3.63 -2.24 -1.26 -5.19 114.28 104.71 2nxi n THR 263 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 2nxi n THR 263 Cb 0.58 -0.04 0.41 0.00 -2.10 0.00 0.00 70.33 69.18 2nxi n THR 263 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50