#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5r s ILE 12 N 0.00 4.33 -0.33 0.55 1.01 -1.26 -1.79 121.20 123.71 2d5r s ILE 12 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 2d5r s ILE 12 Cb 0.00 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2d5r s ILE 12 CO 0.00 0.33 0.37 0.00 0.00 0.00 0.00 174.94 175.63 2d5r s GLU 14 N 2.04 4.38 -0.10 0.00 0.41 -1.26 -1.45 118.70 122.73 2d5r s GLU 14 Ca 0.12 1.89 0.04 0.00 -0.41 0.00 0.00 54.97 56.61 2d5r s GLU 14 Cb -0.16 -3.33 -0.00 0.00 -1.78 0.00 0.00 34.13 28.85 2d5r s GLU 14 CO 0.11 -0.35 -0.22 0.08 -0.49 0.00 0.00 175.26 174.39 2d5r s VAL 15 N 1.20 2.22 0.02 2.63 1.01 0.83 -4.92 120.40 123.39 2d5r s VAL 15 Ca 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2d5r s VAL 15 Cb -0.32 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 2d5r s VAL 15 CO 0.29 0.56 0.00 0.79 0.00 0.00 0.00 175.10 176.74 2d5r n TRP 16 N 3.41 0.03 -0.02 5.22 7.02 -1.26 -1.29 117.44 130.54 2d5r n TRP 16 Ca -0.19 -0.10 -0.12 0.00 -1.02 0.00 0.00 57.50 56.08 2d5r n TRP 16 Cb 0.53 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.35 2d5r n TRP 16 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2d5r h ALA 17 N 1.02 0.15 -0.29 6.99 0.00 -1.50 -2.69 119.26 122.93 2d5r h ALA 17 Ca -0.01 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2d5r h ALA 17 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2d5r h ALA 17 CO 0.02 -0.25 0.49 0.00 0.00 0.00 0.00 179.25 179.52 2d5r n ASN 19 N -3.32 1.32 0.45 0.00 6.94 -1.16 -4.86 115.26 114.62 2d5r n ASN 19 Ca 0.05 -2.69 -0.19 0.00 -0.02 0.00 0.00 54.58 51.72 2d5r n ASN 19 Cb 0.62 -0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.60 2d5r n ASN 19 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2d5r h LEU 20 N 0.19 -1.03 -0.76 -4.53 6.46 -1.08 -2.33 115.31 112.22 2d5r h LEU 20 Ca -0.02 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 2d5r h LEU 20 Cb 1.22 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 41.36 2d5r h LEU 20 CO 0.01 -0.70 0.42 0.44 -0.62 0.00 0.00 178.44 177.98 2d5r h ASP 21 N -1.15 0.58 -0.33 1.25 3.32 -1.89 0.52 116.42 118.72 2d5r h ASP 21 Ca -0.11 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2d5r h ASP 21 Cb 0.90 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2d5r h ASP 21 CO 0.17 0.34 0.19 -0.08 -1.72 0.00 0.00 179.24 178.13 2d5r h GLU 22 N 0.71 0.38 -0.06 3.56 4.81 -1.88 -1.85 114.58 120.25 2d5r h GLU 22 Ca 0.37 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.34 2d5r h GLU 22 Cb 0.34 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2d5r h GLU 22 CO -0.25 0.25 -0.91 0.93 -0.73 0.00 0.00 179.01 178.30 2d5r h GLU 23 N 0.39 0.65 -0.64 1.92 4.39 -0.94 -3.11 114.58 117.24 2d5r h GLU 23 Ca 0.13 -0.63 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 2d5r h GLU 23 Cb 0.01 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2d5r h GLU 23 CO -0.07 1.23 0.37 0.52 -1.16 0.00 0.00 179.01 179.90 2d5r h MET 24 N 0.40 0.87 -0.94 2.33 2.86 -0.83 0.21 114.93 119.82 2d5r h MET 24 Ca -0.09 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2d5r h MET 24 Cb 1.55 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.98 2d5r h MET 24 CO 0.18 0.62 0.60 0.87 1.06 0.00 0.00 176.91 180.24 2d5r h LYS 25 N 0.89 1.25 -0.19 1.72 1.57 -1.32 0.69 116.57 121.18 2d5r h LYS 25 Ca 0.23 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2d5r h LYS 25 Cb -0.01 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 2d5r h LYS 25 CO -0.04 0.85 -0.16 0.87 -0.57 0.00 0.00 179.45 180.39 2d5r h LYS 26 N 1.29 0.45 -0.84 3.15 1.57 -1.22 -2.95 116.57 118.01 2d5r h LYS 26 Ca 0.34 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2d5r h LYS 26 Cb -0.12 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 2d5r h LYS 26 CO -0.07 0.79 0.56 0.82 -0.57 0.00 0.00 179.45 180.97 2d5r h ILE 27 N 0.11 1.17 -0.55 1.86 2.04 -0.36 0.17 117.51 121.94 2d5r h ILE 27 Ca 0.03 -0.37 0.16 0.00 1.00 0.00 0.00 64.86 65.68 2d5r h ILE 27 Cb 0.70 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2d5r h ILE 27 CO 0.04 0.20 0.43 -0.09 0.00 0.00 0.00 178.15 178.73 2d5r h ARG 28 N 1.08 0.00 0.03 2.37 9.65 0.55 -1.80 114.38 126.26 2d5r h ARG 28 Ca 0.33 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.83 2d5r h ARG 28 Cb -0.03 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 2d5r h ARG 28 CO -0.09 0.00 -2.16 0.94 2.80 0.00 0.00 179.97 181.47 2d5r n GLN 29 N -4.20 0.65 -0.36 0.20 -0.06 0.23 -4.41 117.38 109.44 2d5r n GLN 29 Ca 0.10 0.28 0.05 0.00 -2.00 0.00 0.00 57.00 55.44 2d5r n GLN 29 Cb 0.66 -1.60 0.22 0.00 -4.06 0.00 0.00 30.24 25.46 2d5r n GLN 29 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 2d5r h VAL 30 N -0.42 0.99 0.00 1.69 -1.51 -0.44 -0.84 116.25 115.72 2d5r h VAL 30 Ca -0.53 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 2d5r h VAL 30 Cb 1.75 -0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2d5r h VAL 30 CO -0.15 0.19 0.00 -0.29 -1.23 0.00 0.00 177.57 176.09 2d5r h ILE 31 N 1.06 0.00 -0.56 7.19 2.10 -1.53 -0.33 117.51 125.44 2d5r h ILE 31 Ca 0.46 -0.16 -0.05 0.00 1.08 0.00 0.00 64.86 66.20 2d5r h ILE 31 Cb 0.35 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.02 2d5r h ILE 31 CO -0.22 0.00 0.16 0.03 -1.08 0.00 0.00 178.15 177.04 2d5r h ARG 32 N 0.00 0.88 0.00 2.19 2.47 -1.35 -3.17 114.38 115.39 2d5r h ARG 32 Ca 0.00 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2d5r h ARG 32 Cb 0.18 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2d5r h ARG 32 CO 0.00 0.81 -1.85 1.63 0.56 0.00 0.00 179.97 181.12 2d5r n LYS 33 N -4.42 0.62 -3.78 0.04 5.02 -0.97 -4.65 118.16 110.03 2d5r n LYS 33 Ca 0.03 -0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 55.88 2d5r n LYS 33 Cb 0.21 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 2d5r n LYS 33 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2d5r n TYR 34 N -2.26 3.27 0.68 2.13 4.02 -0.17 -4.60 117.16 120.22 2d5r n TYR 34 Ca -0.03 -4.26 0.12 0.00 -0.01 0.00 0.00 57.90 53.72 2d5r n TYR 34 Cb 0.56 -0.60 0.47 0.00 -0.02 0.00 0.00 39.34 39.75 2d5r n TYR 34 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2d5r n ASN 35 N 1.70 0.33 -4.54 7.72 2.04 -1.11 -4.17 115.26 117.23 2d5r n ASN 35 Ca 0.23 0.55 -0.43 0.00 -0.44 0.00 0.00 54.58 54.48 2d5r n ASN 35 Cb 0.37 -0.63 -0.06 0.00 -2.53 0.00 0.00 39.78 36.93 2d5r n ASN 35 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2d5r s TYR 36 N -3.08 3.01 -0.22 -2.53 1.51 0.05 -1.88 117.35 114.21 2d5r s TYR 36 Ca 0.10 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2d5r s TYR 36 Cb 0.13 -3.60 0.03 0.00 -0.11 0.00 0.00 41.96 38.42 2d5r s TYR 36 CO 0.46 -0.96 -0.14 0.54 -1.11 0.00 0.00 175.55 174.33 2d5r s VAL 37 N 3.19 2.28 0.16 0.71 0.11 -0.21 0.14 120.40 126.79 2d5r s VAL 37 Ca 0.28 -1.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.00 2d5r s VAL 37 Cb -0.12 -2.12 -0.07 0.00 -1.53 0.00 0.00 36.38 32.53 2d5r s VAL 37 CO 0.22 0.30 0.64 0.00 -3.33 0.00 0.00 175.10 172.93 2d5r s ALA 38 N 1.25 3.50 0.09 1.54 0.00 0.02 -1.73 121.76 126.42 2d5r s ALA 38 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2d5r s ALA 38 Cb -0.16 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2d5r s ALA 38 CO -0.09 0.38 0.14 0.00 0.00 0.00 0.00 175.76 176.19 2d5r s MET 39 N -1.74 0.82 0.18 0.00 0.23 0.12 -1.10 119.30 117.81 2d5r s MET 39 Ca 0.38 -1.06 -0.17 0.00 -1.03 0.00 0.00 55.69 53.81 2d5r s MET 39 Cb -0.17 0.31 0.03 0.00 -1.53 0.00 0.00 34.83 33.47 2d5r s MET 39 CO 0.20 -0.24 0.50 0.34 -2.03 0.00 0.00 175.02 173.79 2d5r s ASP 40 N -2.89 -0.27 0.24 -1.18 -1.08 -0.80 -4.36 116.67 106.32 2d5r s ASP 40 Ca 0.07 -0.43 0.01 0.00 -0.52 0.00 0.00 52.55 51.68 2d5r s ASP 40 Cb 0.06 0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 42.03 2d5r s ASP 40 CO -0.09 -1.01 0.14 0.42 0.52 0.00 0.00 175.17 175.15 2d5r s THR 41 N -3.85 0.16 -0.04 1.71 -4.23 -1.26 -0.68 115.64 107.44 2d5r s THR 41 Ca 0.08 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2d5r s THR 41 Cb -0.00 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.33 2d5r s THR 41 CO -0.05 0.00 -0.00 -1.61 -0.54 0.00 0.00 174.62 172.42 2d5r s GLU 42 N -4.01 0.43 0.30 3.99 0.41 -0.28 -4.74 118.70 114.79 2d5r s GLU 42 Ca 0.38 0.08 0.02 0.00 -0.41 0.00 0.00 54.97 55.05 2d5r s GLU 42 Cb 0.06 -0.67 -0.05 0.00 -1.78 0.00 0.00 34.13 31.69 2d5r s GLU 42 CO 0.15 -0.19 0.10 -0.59 -0.49 0.00 0.00 175.26 174.24 2d5r s PHE 43 N 1.36 1.66 0.00 1.61 -0.71 -1.26 -0.26 117.98 120.39 2d5r s PHE 43 Ca -0.05 -1.19 -0.00 0.00 -1.04 0.00 0.00 56.93 54.65 2d5r s PHE 43 Cb -0.13 -0.99 -0.01 0.00 -1.21 0.00 0.00 43.02 40.67 2d5r s PHE 43 CO -0.02 -0.30 1.64 -0.35 -1.34 0.00 0.00 175.22 174.85 2d5r n PRO 44 N -0.58 0.83 0.00 1.99 -0.04 -1.26 -4.91 135.00 131.02 2d5r n PRO 44 Ca -0.01 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2d5r n PRO 44 Cb 0.66 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2d5r n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d5r n GLY 45 N 1.67 -0.53 3.10 0.55 0.00 -1.26 -1.22 105.19 107.50 2d5r n GLY 45 Ca 0.02 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2d5r n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d5r s VAL 46 N 0.00 1.76 0.00 1.61 1.01 -1.26 -4.90 120.40 118.62 2d5r s VAL 46 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2d5r s VAL 46 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2d5r s VAL 46 CO 0.00 0.49 0.00 1.33 0.00 0.00 0.00 175.10 176.92 2d5r n VAL 47 N 4.21 0.00 -4.16 2.92 0.24 -1.26 -4.81 118.33 115.47 2d5r n VAL 47 Ca -0.19 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.34 61.84 2d5r n VAL 47 Cb 0.51 0.47 -0.07 0.00 -1.47 0.00 0.00 33.84 33.28 2d5r n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d5r s ALA 48 N -1.74 3.49 -0.07 2.33 0.00 -1.26 -5.09 121.76 119.42 2d5r s ALA 48 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 51.96 50.00 2d5r s ALA 48 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2d5r s ALA 48 CO 0.00 -0.07 -0.23 0.50 0.00 0.00 0.00 175.76 175.96 2d5r s ARG 49 N -3.85 2.50 0.55 0.00 3.52 -1.26 -4.85 118.95 115.56 2d5r s ARG 49 Ca 0.39 -0.83 -0.22 0.00 -0.13 0.00 0.00 55.73 54.95 2d5r s ARG 49 Cb 0.01 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.30 2d5r s ARG 49 CO 0.22 0.29 1.35 -2.30 -0.81 0.00 0.00 175.30 174.05 2d5r n PRO 50 N 3.16 1.65 -4.56 5.12 -0.02 -1.26 -5.03 135.00 134.06 2d5r n PRO 50 Ca -0.18 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 2d5r n PRO 50 Cb 0.52 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 2d5r n PRO 50 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2d5r s ILE 51 N -1.29 2.12 0.00 4.25 1.01 -1.26 -5.07 121.20 120.96 2d5r s ILE 51 Ca 0.72 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2d5r s ILE 51 Cb -0.42 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2d5r s ILE 51 CO 0.49 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.21 2d5r n GLY 52 N 1.27 -1.30 3.97 6.18 0.00 -1.26 -5.03 105.19 109.03 2d5r n GLY 52 Ca -0.18 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 2d5r n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d5r s GLU 53 N 0.00 3.33 -0.04 1.61 2.02 -1.26 -5.12 118.70 119.24 2d5r s GLU 53 Ca 0.00 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2d5r s GLU 53 Cb 0.00 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2d5r s GLU 53 CO 0.00 0.27 -0.02 -0.06 0.02 0.00 0.00 175.26 175.47 2d5r s PHE 54 N -2.08 0.54 0.27 1.61 0.40 -1.26 -5.00 117.98 112.46 2d5r s PHE 54 Ca 0.38 -0.11 0.36 0.00 -0.60 0.00 0.00 56.93 56.97 2d5r s PHE 54 Cb -0.09 -0.57 1.66 0.00 0.51 0.00 0.00 43.02 44.53 2d5r s PHE 54 CO 0.30 -0.18 2.09 -0.09 0.70 0.00 0.00 175.22 178.05 2d5r h ARG 55 N 7.34 0.00 0.00 0.44 2.43 -2.00 -3.48 114.38 119.12 2d5r h ARG 55 Ca -0.38 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.00 2d5r h ARG 55 Cb 1.14 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2d5r h ARG 55 CO 0.45 0.01 0.53 -1.13 -1.51 0.00 0.00 179.97 178.32 2d5r n SER 56 N -3.11 -0.71 -0.04 -3.80 3.41 -1.26 -4.97 113.62 103.14 2d5r n SER 56 Ca -0.00 -1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 57.36 2d5r n SER 56 Cb 0.24 1.11 0.05 0.00 -0.26 0.00 0.00 64.21 65.35 2d5r n SER 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2d5r h ASN 57 N 1.18 0.73 -0.53 4.04 -0.73 -1.99 -1.29 115.58 116.99 2d5r h ASN 57 Ca -0.13 -0.34 -0.04 0.00 1.87 0.00 0.00 56.30 57.66 2d5r h ASN 57 Cb 0.70 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 2d5r h ASN 57 CO 0.18 1.06 0.18 0.00 -0.37 0.00 0.00 177.43 178.48 2d5r h ALA 58 N 0.97 0.69 -0.58 1.57 0.00 -1.95 -1.25 119.26 118.70 2d5r h ALA 58 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2d5r h ALA 58 Cb 0.97 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2d5r h ALA 58 CO 0.09 0.33 0.19 0.22 0.00 0.00 0.00 179.25 180.08 2d5r h ASP 59 N 0.72 0.85 -0.29 0.00 3.58 -1.90 -1.29 116.42 118.08 2d5r h ASP 59 Ca 0.17 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 2d5r h ASP 59 Cb 0.25 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2d5r h ASP 59 CO -0.01 0.83 0.17 0.22 -2.88 0.00 0.00 179.24 177.57 2d5r h TYR 60 N 0.82 0.39 -0.92 0.28 3.20 -0.95 0.11 116.97 119.90 2d5r h TYR 60 Ca 0.19 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2d5r h TYR 60 Cb 0.28 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 2d5r h TYR 60 CO 0.02 0.30 0.60 1.96 -1.64 0.00 0.00 178.16 179.41 2d5r h GLN 61 N 0.37 1.15 -0.35 1.82 1.08 -1.01 0.45 115.11 118.63 2d5r h GLN 61 Ca 0.10 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2d5r h GLN 61 Cb 0.03 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2d5r h GLN 61 CO -0.02 0.76 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.62 2d5r h TYR 62 N 1.19 0.76 -0.01 2.96 3.20 -0.82 -1.62 116.97 122.63 2d5r h TYR 62 Ca 0.36 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2d5r h TYR 62 Cb -0.03 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2d5r h TYR 62 CO -0.01 0.84 -0.27 1.96 -1.64 0.00 0.00 178.16 179.04 2d5r h GLN 63 N 0.47 0.03 -0.35 1.82 1.08 -0.36 0.23 115.11 118.02 2d5r h GLN 63 Ca 0.09 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 2d5r h GLN 63 Cb 0.59 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2d5r h GLN 63 CO 0.03 0.29 -0.13 1.25 -0.95 0.00 0.00 178.83 179.32 2d5r h LEU 64 N 0.02 0.72 -0.15 1.46 6.46 -0.68 -1.91 115.31 121.23 2d5r h LEU 64 Ca 0.00 -0.39 -0.03 0.00 -0.12 0.00 0.00 57.88 57.34 2d5r h LEU 64 Cb 0.49 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2d5r h LEU 64 CO 0.04 0.95 -0.02 0.25 -0.62 0.00 0.00 178.44 179.04 2d5r h LEU 65 N 0.49 0.27 0.02 2.25 6.46 -0.69 -3.13 115.31 120.98 2d5r h LEU 65 Ca 0.08 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2d5r h LEU 65 Cb 0.66 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 2d5r h LEU 65 CO 0.04 0.54 -0.23 -0.09 -0.62 0.00 0.00 178.44 178.08 2d5r h ARG 66 N -0.01 -0.36 0.00 1.25 2.43 -0.47 0.21 114.38 117.42 2d5r h ARG 66 Ca 0.04 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2d5r h ARG 66 Cb 0.41 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2d5r h ARG 66 CO 0.01 -0.24 -0.01 0.00 -1.51 0.00 0.00 179.97 178.22 2d5r n ASN 68 N -3.32 2.07 -0.29 0.00 4.13 -0.70 -3.77 115.26 113.38 2d5r n ASN 68 Ca -0.03 0.12 -0.05 0.00 1.68 0.00 0.00 54.58 56.30 2d5r n ASN 68 Cb 0.10 -0.74 0.06 0.00 -1.54 0.00 0.00 39.78 37.67 2d5r n ASN 68 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2d5r h VAL 69 N -0.02 1.25 0.00 2.41 2.07 -0.37 -1.89 116.25 119.69 2d5r h VAL 69 Ca -0.47 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2d5r h VAL 69 Cb 1.96 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2d5r h VAL 69 CO 0.01 0.29 -0.15 0.44 0.02 0.00 0.00 177.57 178.19 2d5r h ASP 70 N 1.10 0.00 0.55 0.57 3.32 -1.41 -3.18 116.42 117.37 2d5r h ASP 70 Ca 0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 2d5r h ASP 70 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2d5r h ASP 70 CO -0.03 0.15 -1.53 0.18 -1.72 0.00 0.00 179.24 176.28 2d5r n LEU 71 N -3.97 0.56 -4.85 1.55 4.77 -0.90 -4.99 117.00 109.17 2d5r n LEU 71 Ca -0.02 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 2d5r n LEU 71 Cb 0.24 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2d5r n LEU 71 CO 0.33 0.05 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.59 2d5r s LEU 72 N -5.32 3.63 -0.11 2.23 2.01 -0.76 -4.77 118.68 115.59 2d5r s LEU 72 Ca -0.04 -0.47 -0.00 0.00 0.01 0.00 0.00 54.13 53.63 2d5r s LEU 72 Cb 0.10 -2.24 -0.02 0.00 0.01 0.00 0.00 46.19 44.04 2d5r s LEU 72 CO 0.83 -0.33 -0.08 -0.54 1.01 0.00 0.00 176.35 177.24 2d5r s LYS 73 N -3.99 3.16 0.44 1.70 1.02 -1.26 -4.91 119.74 115.90 2d5r s LYS 73 Ca 0.40 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 2d5r s LYS 73 Cb -0.06 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.49 2d5r s LYS 73 CO 0.27 0.42 1.38 -1.50 -0.92 0.00 0.00 175.35 175.00 2d5r s ILE 74 N -0.16 2.26 -0.16 2.17 2.07 -1.26 -4.29 121.20 121.83 2d5r s ILE 74 Ca 0.01 0.23 0.10 0.00 -1.41 0.00 0.00 60.65 59.58 2d5r s ILE 74 Cb -0.13 -3.13 -0.17 0.00 0.13 0.00 0.00 42.46 39.16 2d5r s ILE 74 CO 0.03 0.03 -0.01 -0.38 -1.91 0.00 0.00 174.94 172.70 2d5r n ILE 75 N -0.10 1.05 -3.68 2.00 5.41 0.65 -4.72 119.36 119.96 2d5r n ILE 75 Ca 0.05 -0.57 -0.14 0.00 1.00 0.00 0.00 62.75 63.08 2d5r n ILE 75 Cb 0.42 -0.76 -0.08 0.00 -0.71 0.00 0.00 39.64 38.51 2d5r n ILE 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2d5r s GLN 76 N -2.37 0.69 -0.04 0.38 0.74 -0.66 -1.94 119.66 116.46 2d5r s GLN 76 Ca -0.13 0.55 0.05 0.00 0.05 0.00 0.00 55.36 55.89 2d5r s GLN 76 Cb 0.05 0.33 -0.01 0.00 1.10 0.00 0.00 33.01 34.48 2d5r s GLN 76 CO 0.56 -0.12 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.82 2d5r s LEU 77 N -0.13 1.97 -0.09 3.68 0.20 -0.33 -1.13 118.68 122.85 2d5r s LEU 77 Ca -0.03 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.44 2d5r s LEU 77 Cb -0.03 -1.04 0.01 0.00 -0.43 0.00 0.00 46.19 44.69 2d5r s LEU 77 CO 0.02 0.19 -0.18 -0.83 -0.29 0.00 0.00 176.35 175.26 2d5r s GLY 78 N -0.11 1.08 -0.06 7.98 0.00 0.14 -0.38 107.32 115.98 2d5r s GLY 78 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2d5r s GLY 78 CO 0.02 -0.08 -0.06 1.08 0.00 0.00 0.00 173.10 174.06 2d5r s LEU 79 N 0.55 1.31 -0.12 0.66 1.43 -0.18 -1.91 118.68 120.42 2d5r s LEU 79 Ca -0.16 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2d5r s LEU 79 Cb -0.17 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.51 2d5r s LEU 79 CO 0.06 -0.05 -0.23 -0.89 0.23 0.00 0.00 176.35 175.46 2d5r s THR 80 N 1.02 2.06 -0.10 5.49 2.01 -0.26 0.08 115.64 125.93 2d5r s THR 80 Ca -0.09 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 2d5r s THR 80 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2d5r s THR 80 CO -0.00 0.56 0.09 -0.36 -0.69 0.00 0.00 174.62 174.21 2d5r s PHE 81 N 0.54 3.42 0.22 4.92 0.40 0.20 -0.80 117.98 126.88 2d5r s PHE 81 Ca -0.14 0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2d5r s PHE 81 Cb -0.17 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 2d5r s PHE 81 CO 0.04 0.63 0.39 -1.64 0.70 0.00 0.00 175.22 175.35 2d5r s MET 82 N -0.99 1.41 0.33 0.44 -1.94 0.12 -4.23 119.30 114.44 2d5r s MET 82 Ca 0.15 -1.27 0.04 0.00 -1.71 0.00 0.00 55.69 52.89 2d5r s MET 82 Cb -0.12 0.43 0.04 0.00 2.01 0.00 0.00 34.83 37.18 2d5r s MET 82 CO 0.04 -0.56 0.29 0.27 -0.01 0.00 0.00 175.02 175.05 2d5r n ASN 83 N -0.33 1.88 -0.15 3.03 0.23 -0.76 -0.77 115.26 118.40 2d5r n ASN 83 Ca -0.03 -2.09 0.21 0.00 -0.53 0.00 0.00 54.58 52.15 2d5r n ASN 83 Cb 0.63 -0.07 0.62 0.00 -2.08 0.00 0.00 39.78 38.87 2d5r n ASN 83 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2d5r h GLU 84 N 0.00 0.18 -0.59 -3.83 4.57 -1.92 -0.09 114.58 112.91 2d5r h GLU 84 Ca -0.20 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2d5r h GLU 84 Cb 0.76 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2d5r h GLU 84 CO 0.31 0.12 0.00 1.04 -1.18 0.00 0.00 179.01 179.30 2d5r n GLN 85 N -4.40 2.52 -2.10 1.92 3.00 -1.26 -4.93 117.38 112.13 2d5r n GLN 85 Ca 0.16 -2.10 -0.09 0.00 -0.01 0.00 0.00 57.00 54.96 2d5r n GLN 85 Cb 0.71 -1.52 -0.01 0.00 0.00 0.00 0.00 30.24 29.43 2d5r n GLN 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2d5r n GLY 86 N 1.30 0.08 3.90 1.08 0.00 -0.05 -5.03 105.19 106.48 2d5r n GLY 86 Ca 0.19 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2d5r n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d5r s GLU 87 N -4.32 3.40 0.19 1.61 2.02 -1.26 -4.82 118.70 115.53 2d5r s GLU 87 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 2d5r s GLU 87 Cb 0.00 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 2d5r s GLU 87 CO 0.00 0.63 0.40 0.71 0.02 0.00 0.00 175.26 177.02 2d5r s TYR 88 N -1.44 3.48 0.50 1.61 1.51 -1.26 -1.83 117.35 119.91 2d5r s TYR 88 Ca 0.32 0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 56.60 2d5r s TYR 88 Cb -0.13 -1.92 -0.07 0.00 -0.11 0.00 0.00 41.96 39.74 2d5r s TYR 88 CO 0.25 0.37 1.12 -1.25 -1.11 0.00 0.00 175.55 174.93 2d5r s PRO 89 N -3.17 3.61 0.25 -1.71 0.04 -1.26 -4.93 135.00 127.84 2d5r s PRO 89 Ca 0.40 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.73 2d5r s PRO 89 Cb -0.11 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 2d5r s PRO 89 CO 0.28 -0.63 1.61 -0.35 0.04 0.00 0.00 177.00 177.95 2d5r n PRO 90 N -0.91 2.60 0.00 0.56 -0.04 -1.26 -4.38 135.00 131.57 2d5r n PRO 90 Ca 0.09 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2d5r n PRO 90 Cb 0.50 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2d5r n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d5r n GLY 91 N 2.79 1.23 3.69 0.55 0.00 -1.26 -4.88 105.19 107.32 2d5r n GLY 91 Ca 0.12 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2d5r n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d5r s THR 92 N 0.00 5.07 -0.04 2.61 2.01 -1.26 -4.42 115.64 119.61 2d5r s THR 92 Ca 0.00 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.28 2d5r s THR 92 Cb 0.00 -3.94 -0.13 0.00 0.01 0.00 0.00 72.50 68.45 2d5r s THR 92 CO 0.00 0.21 0.14 -1.54 -0.69 0.00 0.00 174.62 172.74 2d5r n SER 93 N 4.33 2.94 -4.21 3.53 3.41 -0.94 -4.70 113.62 117.98 2d5r n SER 93 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 2d5r n SER 93 Cb 0.51 1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 65.47 2d5r n SER 93 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d5r s THR 94 N -2.48 1.65 -0.07 6.66 2.01 -0.74 -0.63 115.64 122.04 2d5r s THR 94 Ca -0.04 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.13 2d5r s THR 94 Cb 0.05 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2d5r s THR 94 CO 0.36 0.47 -0.21 0.26 -0.69 0.00 0.00 174.62 174.82 2d5r s TRP 95 N -0.36 2.17 -0.31 4.92 0.51 0.11 -0.92 118.94 125.07 2d5r s TRP 95 Ca 0.05 -0.79 0.01 0.00 -2.12 0.00 0.00 56.10 53.25 2d5r s TRP 95 Cb -0.09 -1.46 0.07 0.00 -0.81 0.00 0.00 33.47 31.18 2d5r s TRP 95 CO 0.00 -0.31 0.00 -1.14 -0.51 0.00 0.00 176.95 175.00 2d5r s GLN 96 N 0.26 2.09 -0.12 4.98 0.74 -0.52 -1.01 119.66 126.06 2d5r s GLN 96 Ca -0.13 -1.51 -0.22 0.00 0.05 0.00 0.00 55.36 53.55 2d5r s GLN 96 Cb -0.16 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 2d5r s GLN 96 CO 0.06 -0.74 0.67 -0.06 -0.55 0.00 0.00 175.29 174.67 2d5r s PHE 97 N 1.10 3.49 -0.24 1.67 0.40 0.48 -0.12 117.98 124.77 2d5r s PHE 97 Ca -0.01 1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 57.37 2d5r s PHE 97 Cb -0.20 -2.80 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 2d5r s PHE 97 CO -0.04 -0.02 0.04 -0.80 0.70 0.00 0.00 175.22 175.10 2d5r s ASN 98 N 0.94 4.93 0.25 1.36 0.01 -0.41 -1.19 114.94 120.83 2d5r s ASN 98 Ca 0.34 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2d5r s ASN 98 Cb -0.17 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 2d5r s ASN 98 CO 0.14 -0.02 0.43 -0.36 -1.51 0.00 0.00 177.10 175.79 2d5r s PHE 99 N 1.51 3.48 0.06 2.20 0.40 -0.82 -0.52 117.98 124.28 2d5r s PHE 99 Ca 0.06 0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 56.36 2d5r s PHE 99 Cb -0.15 -1.82 -0.07 0.00 0.51 0.00 0.00 43.02 41.49 2d5r s PHE 99 CO 0.02 0.31 1.48 0.21 0.70 0.00 0.00 175.22 177.94 2d5r s LYS 100 N -3.73 4.26 -0.06 0.44 2.20 -0.14 -4.49 119.74 118.22 2d5r s LYS 100 Ca 0.38 2.12 -0.05 0.00 -0.36 0.00 0.00 55.97 58.07 2d5r s LYS 100 Cb -0.10 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2d5r s LYS 100 CO 0.31 -0.59 0.15 0.12 -0.36 0.00 0.00 175.35 174.98 2d5r s PHE 101 N 2.07 -0.17 -0.27 4.03 5.36 -1.22 -4.95 117.98 122.84 2d5r s PHE 101 Ca 0.67 0.43 0.03 0.00 -0.96 0.00 0.00 56.93 57.10 2d5r s PHE 101 Cb -0.36 0.02 0.06 0.00 -0.34 0.00 0.00 43.02 42.40 2d5r s PHE 101 CO 0.29 -0.11 -0.09 1.21 -1.46 0.00 0.00 175.22 175.06 2d5r s ASN 102 N 0.41 4.50 0.05 6.13 3.84 -1.26 -3.06 114.94 125.54 2d5r s ASN 102 Ca -0.03 -1.43 0.09 0.00 0.21 0.00 0.00 52.86 51.70 2d5r s ASN 102 Cb -0.04 -1.57 0.41 0.00 -0.55 0.00 0.00 41.25 39.50 2d5r s ASN 102 CO -0.02 -0.21 1.28 0.18 -2.79 0.00 0.00 177.10 175.55 2d5r n LEU 103 N 4.43 0.10 -0.04 3.21 4.77 -1.26 0.17 117.00 128.38 2d5r n LEU 103 Ca -0.13 0.53 0.01 0.00 -0.03 0.00 0.00 56.01 56.39 2d5r n LEU 103 Cb 0.42 -0.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 2d5r n LEU 103 CO 0.21 -0.45 -0.85 0.41 -1.33 0.00 0.00 177.39 175.39 2d5r n THR 104 N -1.62 0.75 -0.07 -5.08 -1.04 -1.26 -4.69 114.28 101.27 2d5r n THR 104 Ca 0.01 -0.68 -0.14 0.00 -2.04 0.00 0.00 64.05 61.20 2d5r n THR 104 Cb 0.08 -0.30 -0.05 0.00 -1.82 0.00 0.00 70.33 68.25 2d5r n THR 104 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2d5r n GLU 105 N -2.56 0.39 -1.79 -2.82 1.02 -0.89 -5.05 120.64 108.94 2d5r n GLU 105 Ca -0.17 0.16 -0.36 0.00 -0.02 0.00 0.00 57.16 56.77 2d5r n GLU 105 Cb 0.85 -1.16 0.06 0.00 -0.02 0.00 0.00 31.44 31.17 2d5r n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d5r s ASP 106 N -6.39 4.73 0.32 1.62 1.01 0.13 -5.01 116.67 113.07 2d5r s ASP 106 Ca -0.24 2.54 -0.20 0.00 0.71 0.00 0.00 52.55 55.37 2d5r s ASP 106 Cb 0.07 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 2d5r s ASP 106 CO 0.32 -1.92 0.83 -0.04 0.21 0.00 0.00 175.17 174.57 2d5r s MET 107 N -3.40 4.25 -0.02 8.23 -1.94 -1.26 -4.80 119.30 120.36 2d5r s MET 107 Ca 0.81 0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 55.46 2d5r s MET 107 Cb -0.35 -2.58 0.11 0.00 2.01 0.00 0.00 34.83 34.02 2d5r s MET 107 CO 0.38 0.21 1.17 1.52 -0.01 0.00 0.00 175.02 178.29 2d5r s TYR 108 N -1.82 -0.10 -0.26 -0.03 1.13 -1.26 -4.75 117.35 110.25 2d5r s TYR 108 Ca 0.52 -0.03 -0.11 0.00 -1.41 0.00 0.00 57.07 56.04 2d5r s TYR 108 Cb -0.14 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 2d5r s TYR 108 CO 0.19 -0.39 0.21 0.00 -2.51 0.00 0.00 175.55 173.05 2d5r s ALA 109 N -2.65 3.56 0.11 9.51 0.00 -0.35 -4.98 121.76 126.95 2d5r s ALA 109 Ca 0.12 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2d5r s ALA 109 Cb 0.02 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 2d5r s ALA 109 CO -0.03 -0.45 1.26 1.04 0.00 0.00 0.00 175.76 177.57 2d5r n GLN 110 N 4.84 -0.31 -0.37 0.00 1.13 -1.26 -1.48 117.38 119.94 2d5r n GLN 110 Ca -0.13 1.24 0.05 0.00 -1.94 0.00 0.00 57.00 56.21 2d5r n GLN 110 Cb 0.52 -1.82 0.20 0.00 0.11 0.00 0.00 30.24 29.25 2d5r n GLN 110 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2d5r h ASP 111 N 0.00 1.00 -0.58 1.08 3.04 -1.97 -1.91 116.42 117.08 2d5r h ASP 111 Ca 0.11 0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.92 2d5r h ASP 111 Cb 0.28 -0.18 -0.03 0.00 -1.04 0.00 0.00 39.33 38.37 2d5r h ASP 111 CO -0.65 0.59 0.33 0.28 -2.04 0.00 0.00 179.24 177.75 2d5r h SER 112 N 1.10 0.71 -0.57 4.15 0.02 -1.58 0.21 113.55 117.59 2d5r h SER 112 Ca 0.46 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2d5r h SER 112 Cb 0.30 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2d5r h SER 112 CO -0.21 0.58 0.10 0.40 -1.14 0.00 0.00 176.83 176.56 2d5r h ILE 113 N 0.78 1.25 -0.53 3.27 1.08 -0.98 -0.75 117.51 121.64 2d5r h ILE 113 Ca 0.21 -0.96 -0.06 0.00 -0.39 0.00 0.00 64.86 63.65 2d5r h ILE 113 Cb 0.02 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2d5r h ILE 113 CO -0.04 0.35 0.09 -0.33 -0.69 0.00 0.00 178.15 177.54 2d5r h GLU 114 N 0.84 0.87 -0.46 2.37 5.08 -0.97 -0.01 114.58 122.31 2d5r h GLU 114 Ca 0.18 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2d5r h GLU 114 Cb 0.40 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2d5r h GLU 114 CO 0.01 0.85 0.29 1.25 -1.00 0.00 0.00 179.01 180.41 2d5r h LEU 115 N 0.76 0.49 -1.07 1.33 5.85 -0.33 -1.70 115.31 120.64 2d5r h LEU 115 Ca 0.16 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2d5r h LEU 115 Cb 0.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2d5r h LEU 115 CO 0.01 0.35 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.23 2d5r h LEU 116 N 0.59 0.46 -0.38 2.25 3.38 -0.87 -1.95 115.31 118.77 2d5r h LEU 116 Ca 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2d5r h LEU 116 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2d5r h LEU 116 CO -0.06 0.64 0.10 0.74 0.09 0.00 0.00 178.44 179.96 2d5r h THR 117 N 0.43 1.22 0.00 0.22 2.02 -0.56 -2.04 112.91 114.20 2d5r h THR 117 Ca 0.07 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2d5r h THR 117 Cb 0.54 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2d5r h THR 117 CO 0.03 0.26 -0.15 0.74 0.37 0.00 0.00 175.52 176.78 2d5r h THR 118 N 0.48 0.80 0.00 3.16 2.02 -1.00 -2.45 112.91 115.92 2d5r h THR 118 Ca 0.12 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2d5r h THR 118 Cb 0.29 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2d5r h THR 118 CO -0.00 0.14 0.00 -1.20 0.37 0.00 0.00 175.52 174.83 2d5r n SER 119 N -3.93 0.16 0.00 4.18 7.64 -0.76 -4.92 113.62 115.98 2d5r n SER 119 Ca -0.02 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2d5r n SER 119 Cb 0.24 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2d5r n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d5r n GLY 120 N 1.45 0.96 3.69 0.23 0.00 -0.92 -4.84 105.19 105.75 2d5r n GLY 120 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2d5r n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d5r s ILE 121 N -2.00 3.35 -0.86 -0.61 -1.09 -0.83 -4.93 121.20 114.21 2d5r s ILE 121 Ca 0.00 0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 59.01 2d5r s ILE 121 Cb 0.00 -3.47 0.21 0.00 -1.58 0.00 0.00 42.46 37.61 2d5r s ILE 121 CO 0.00 -0.01 0.86 -1.10 -1.23 0.00 0.00 174.94 173.46 2d5r s GLN 122 N 2.73 3.64 0.32 2.79 -0.21 -1.26 -4.56 119.66 123.10 2d5r s GLN 122 Ca 0.70 -2.38 0.03 0.00 0.02 0.00 0.00 55.36 53.73 2d5r s GLN 122 Cb -0.36 -4.53 0.61 0.00 1.00 0.00 0.00 33.01 29.74 2d5r s GLN 122 CO 0.30 -1.38 1.90 0.74 -2.12 0.00 0.00 175.29 174.73 2d5r h PHE 123 N 7.90 0.99 -0.63 0.91 -1.00 -1.96 -1.98 116.94 121.18 2d5r h PHE 123 Ca 0.12 0.03 0.10 0.00 2.81 0.00 0.00 57.97 61.03 2d5r h PHE 123 Cb 1.03 -0.32 -0.07 0.00 3.61 0.00 0.00 35.95 40.19 2d5r h PHE 123 CO 1.05 0.47 0.24 -0.22 -1.61 0.00 0.00 178.31 178.24 2d5r h LYS 124 N 0.93 0.41 0.00 1.51 3.11 -1.91 0.21 116.57 120.83 2d5r h LYS 124 Ca 0.41 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.12 2d5r h LYS 124 Cb 0.35 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2d5r h LYS 124 CO -0.17 0.27 -0.47 -0.22 -2.81 0.00 0.00 179.45 176.05 2d5r h LYS 125 N 0.43 0.00 -0.43 1.90 3.64 -1.79 -2.33 116.57 117.99 2d5r h LYS 125 Ca 0.32 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 2d5r h LYS 125 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2d5r h LYS 125 CO -0.31 0.47 -0.24 0.45 -2.27 0.00 0.00 179.45 177.55 2d5r h HIS 126 N 0.00 1.08 -0.01 1.91 3.86 -0.38 0.29 115.15 121.89 2d5r h HIS 126 Ca -0.00 -0.28 -0.09 0.00 -1.16 0.00 0.00 60.37 58.84 2d5r h HIS 126 Cb 1.01 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 2d5r h HIS 126 CO 0.00 1.08 -0.42 1.49 0.86 0.00 0.00 177.93 180.95 2d5r h GLU 127 N 0.76 0.02 0.03 2.45 4.81 -0.47 -0.70 114.58 121.47 2d5r h GLU 127 Ca 0.09 -0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 58.93 2d5r h GLU 127 Cb 0.82 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.14 2d5r h GLU 127 CO 0.07 0.43 -2.37 0.39 -0.73 0.00 0.00 179.01 176.81 2d5r n GLU 128 N -4.04 0.67 -0.00 1.92 1.02 -0.90 -4.68 120.64 114.63 2d5r n GLU 128 Ca -0.02 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 2d5r n GLU 128 Cb 0.45 -1.56 0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2d5r n GLU 128 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2d5r n GLU 129 N -3.29 -0.36 -1.48 3.49 1.02 0.99 -5.07 120.64 115.94 2d5r n GLU 129 Ca -0.42 -0.75 -0.37 0.00 -0.02 0.00 0.00 57.16 55.60 2d5r n GLU 129 Cb 1.01 -1.06 0.06 0.00 -0.02 0.00 0.00 31.44 31.43 2d5r n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d5r n GLY 130 N 0.16 -0.72 3.78 0.62 0.00 -0.27 -1.59 105.19 107.17 2d5r n GLY 130 Ca 0.02 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2d5r n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d5r s ILE 131 N -1.68 3.46 -0.31 -0.61 1.01 0.32 -4.08 121.20 119.31 2d5r s ILE 131 Ca 0.73 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 62.13 2d5r s ILE 131 Cb -0.39 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2d5r s ILE 131 CO 0.50 -0.19 0.42 -1.61 0.00 0.00 0.00 174.94 174.06 2d5r s GLU 132 N -3.26 3.81 0.36 2.79 0.41 -1.26 -0.97 118.70 120.59 2d5r s GLU 132 Ca 0.70 -0.09 0.07 0.00 -0.41 0.00 0.00 54.97 55.24 2d5r s GLU 132 Cb -0.20 -3.73 0.78 0.00 -1.78 0.00 0.00 34.13 29.20 2d5r s GLU 132 CO 0.24 -0.44 1.92 1.79 -0.49 0.00 0.00 175.26 178.28 2d5r h THR 133 N 5.48 0.94 -0.56 3.63 1.35 -1.95 -0.56 112.91 121.24 2d5r h THR 133 Ca -0.30 -0.25 0.04 0.00 -0.55 0.00 0.00 66.41 65.36 2d5r h THR 133 Cb 1.15 0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 2d5r h THR 133 CO 0.69 0.13 0.30 1.56 -0.25 0.00 0.00 175.52 177.96 2d5r h GLN 134 N 0.72 0.57 -0.16 4.72 7.50 -1.93 0.39 115.11 126.92 2d5r h GLN 134 Ca 0.37 -0.03 -0.19 0.00 0.50 0.00 0.00 58.65 59.30 2d5r h GLN 134 Cb 0.47 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 2d5r h GLN 134 CO -0.14 0.38 -0.66 -0.92 -1.50 0.00 0.00 178.83 175.98 2d5r h TYR 135 N 0.59 0.80 -0.45 2.96 -0.00 -1.72 -2.98 116.97 116.17 2d5r h TYR 135 Ca 0.25 -0.32 -0.06 0.00 -0.00 0.00 0.00 58.73 58.59 2d5r h TYR 135 Cb 0.13 -0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 36.70 2d5r h TYR 135 CO -0.09 1.10 0.02 0.35 -0.00 0.00 0.00 178.16 179.54 2d5r h PHE 136 N 0.44 0.76 0.26 -3.82 3.57 -0.48 -1.78 116.94 115.89 2d5r h PHE 136 Ca -0.02 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2d5r h PHE 136 Cb 1.25 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2d5r h PHE 136 CO 0.06 0.70 -0.24 0.00 -2.23 0.00 0.00 178.31 176.60 2d5r h ALA 137 N 1.34 -0.51 -0.60 2.41 0.00 -0.15 0.76 119.26 122.52 2d5r h ALA 137 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2d5r h ALA 137 Cb 0.39 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2d5r h ALA 137 CO 0.01 -0.81 0.26 1.49 0.00 0.00 0.00 179.25 180.20 2d5r h GLU 138 N -0.52 0.46 -0.70 0.00 4.81 -1.35 -1.51 114.58 115.76 2d5r h GLU 138 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2d5r h GLU 138 Cb 0.48 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2d5r h GLU 138 CO -0.04 0.30 0.41 -0.07 -0.73 0.00 0.00 179.01 178.88 2d5r h LEU 139 N 0.47 0.84 -0.49 1.64 3.38 -0.87 -0.87 115.31 119.42 2d5r h LEU 139 Ca 0.29 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2d5r h LEU 139 Cb 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2d5r h LEU 139 CO -0.25 0.66 0.20 -0.07 0.09 0.00 0.00 178.44 179.07 2d5r h LEU 140 N 0.95 0.23 -0.11 1.67 3.38 0.12 -2.73 115.31 118.82 2d5r h LEU 140 Ca 0.25 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2d5r h LEU 140 Cb -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2d5r h LEU 140 CO -0.05 0.17 0.02 0.24 0.09 0.00 0.00 178.44 178.91 2d5r h MET 141 N 0.39 0.18 -1.31 1.13 2.86 -0.97 -3.16 114.93 114.05 2d5r h MET 141 Ca 0.23 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2d5r h MET 141 Cb 0.21 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2d5r h MET 141 CO -0.21 0.36 0.11 0.25 1.06 0.00 0.00 176.91 178.48 2d5r n THR 142 N -4.86 1.65 -1.10 2.22 -2.24 -0.37 -3.52 114.28 106.06 2d5r n THR 142 Ca -0.06 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2d5r n THR 142 Cb 0.16 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2d5r n THR 142 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2d5r n SER 143 N 0.58 0.00 -2.14 3.42 7.64 -1.06 -4.97 113.62 117.09 2d5r n SER 143 Ca 0.09 -1.00 -0.18 0.00 1.01 0.00 0.00 58.87 58.79 2d5r n SER 143 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2d5r n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d5r n GLY 144 N 0.00 -0.35 0.07 0.23 0.00 -1.23 -4.58 105.19 99.33 2d5r n GLY 144 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2d5r n GLY 144 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d5r n VAL 145 N -4.09 0.92 0.53 1.61 0.31 -1.25 -4.71 118.33 111.64 2d5r n VAL 145 Ca -0.18 -0.66 0.12 0.00 -0.01 0.00 0.00 64.34 63.60 2d5r n VAL 145 Cb 0.65 -0.41 0.17 0.00 -0.91 0.00 0.00 33.84 33.34 2d5r n VAL 145 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2d5r n VAL 146 N -2.53 0.33 -3.35 2.52 0.24 -1.25 -4.96 118.33 109.33 2d5r n VAL 146 Ca -0.23 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 2d5r n VAL 146 Cb 0.93 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 34.43 2d5r n VAL 146 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2d5r s LEU 147 N -1.63 -1.18 -0.26 1.34 2.96 -1.23 -4.22 118.68 114.45 2d5r s LEU 147 Ca 0.34 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 2d5r s LEU 147 Cb 0.21 2.03 0.00 0.00 0.50 0.00 0.00 46.19 48.93 2d5r s LEU 147 CO 0.30 -0.25 0.00 0.00 -1.32 0.00 0.00 176.35 175.08 2d5r n GLU 149 N 0.01 0.00 -2.71 0.00 -0.58 -1.26 -4.95 120.64 111.15 2d5r n GLU 149 Ca -0.02 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.69 2d5r n GLU 149 Cb 0.28 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.26 2d5r n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d5r n GLY 150 N 1.67 1.85 3.90 0.62 0.00 -1.26 -5.14 105.19 106.83 2d5r n GLY 150 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2d5r n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d5r s VAL 151 N -0.92 5.15 -0.23 1.61 1.01 -1.26 -4.91 120.40 120.84 2d5r s VAL 151 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 2d5r s VAL 151 Cb 0.41 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2d5r s VAL 151 CO -0.09 0.02 -0.11 -0.54 0.00 0.00 0.00 175.10 174.38 2d5r s LYS 152 N -2.70 2.76 -0.16 2.72 -0.14 -0.79 -4.33 119.74 117.11 2d5r s LYS 152 Ca 0.41 -1.01 -0.15 0.00 -1.36 0.00 0.00 55.97 53.87 2d5r s LYS 152 Cb -0.12 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 2d5r s LYS 152 CO 0.25 -0.38 0.33 -1.58 -0.76 0.00 0.00 175.35 173.21 2d5r s TRP 153 N 1.27 3.46 -0.11 3.18 0.52 -0.38 -1.04 118.94 125.84 2d5r s TRP 153 Ca -0.00 0.64 0.00 0.00 0.02 0.00 0.00 56.10 56.76 2d5r s TRP 153 Cb -0.16 -2.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 2d5r s TRP 153 CO -0.07 0.20 -0.11 -0.51 0.02 0.00 0.00 176.95 176.48 2d5r s LEU 154 N 0.59 2.86 0.31 2.99 1.43 -0.71 -0.28 118.68 125.87 2d5r s LEU 154 Ca 0.18 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2d5r s LEU 154 Cb -0.13 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 2d5r s LEU 154 CO 0.05 0.22 0.46 -0.94 0.23 0.00 0.00 176.35 176.37 2d5r s SER 155 N 0.02 0.55 -0.08 2.29 1.04 -0.02 -0.70 113.70 116.81 2d5r s SER 155 Ca -0.03 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.06 2d5r s SER 155 Cb -0.14 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.64 2d5r s SER 155 CO 0.04 -1.24 0.04 0.12 0.98 0.00 0.00 173.24 173.19 2d5r s PHE 156 N -3.36 0.34 -1.19 5.02 2.19 -1.26 0.12 117.98 119.84 2d5r s PHE 156 Ca 0.28 -0.04 -0.26 0.00 0.33 0.00 0.00 56.93 57.25 2d5r s PHE 156 Cb -0.00 -0.65 0.02 0.00 -1.31 0.00 0.00 43.02 41.07 2d5r s PHE 156 CO 0.16 -0.31 0.72 1.58 1.83 0.00 0.00 175.22 179.20 2d5r n HIS 157 N 5.23 -1.66 1.11 10.12 -0.00 -1.26 -4.88 115.22 123.88 2d5r n HIS 157 Ca -0.05 0.29 0.11 0.00 -0.00 0.00 0.00 57.72 58.06 2d5r n HIS 157 Cb 0.50 -3.15 0.35 0.00 -0.00 0.00 0.00 29.99 27.69 2d5r n HIS 157 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2d5r n SER 158 N -2.46 1.90 -0.25 0.26 3.41 -1.26 -4.63 113.62 110.60 2d5r n SER 158 Ca -0.11 -1.75 -0.03 0.00 -0.26 0.00 0.00 58.87 56.72 2d5r n SER 158 Cb 0.58 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2d5r n SER 158 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2d5r h GLY 159 N 4.95 0.07 1.33 5.00 0.00 -1.90 -0.57 103.07 111.94 2d5r h GLY 159 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 47.33 47.59 2d5r h GLY 159 CO 0.00 -0.23 -0.41 -0.97 0.00 0.00 0.00 176.54 174.94 2d5r h TYR 160 N -0.10 0.88 -0.25 5.60 -1.99 -1.94 -1.20 116.97 117.97 2d5r h TYR 160 Ca 0.28 -0.26 0.04 0.00 2.00 0.00 0.00 58.73 60.79 2d5r h TYR 160 Cb 0.56 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 2d5r h TYR 160 CO -0.67 1.02 0.00 -0.44 -0.00 0.00 0.00 178.16 178.07 2d5r h ASP 161 N 0.60 -0.09 1.05 3.88 3.32 -1.52 0.21 116.42 123.87 2d5r h ASP 161 Ca 0.05 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2d5r h ASP 161 Cb 0.95 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2d5r h ASP 161 CO 0.09 -0.02 -0.48 -0.26 -1.72 0.00 0.00 179.24 176.86 2d5r h PHE 162 N 0.08 0.00 -0.10 4.55 -1.00 -1.15 -2.67 116.94 116.64 2d5r h PHE 162 Ca 0.12 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 2d5r h PHE 162 Cb 0.15 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 2d5r h PHE 162 CO -0.19 0.48 0.04 0.78 -1.61 0.00 0.00 178.31 177.81 2d5r h GLY 163 N 2.58 0.17 1.16 -1.45 0.00 -0.27 0.14 103.07 105.40 2d5r h GLY 163 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2d5r h GLY 163 CO 0.06 0.08 0.42 -0.97 0.00 0.00 0.00 176.54 176.14 2d5r h TYR 164 N 0.02 1.08 -0.38 5.60 -1.99 -0.56 -1.49 116.97 119.25 2d5r h TYR 164 Ca 0.03 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 2d5r h TYR 164 Cb 0.16 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 2d5r h TYR 164 CO -0.02 0.76 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.82 2d5r h LEU 165 N 1.11 0.66 -1.22 3.88 3.38 -1.21 -2.11 115.31 119.80 2d5r h LEU 165 Ca 0.28 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2d5r h LEU 165 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2d5r h LEU 165 CO -0.04 0.81 0.31 0.40 0.09 0.00 0.00 178.44 180.01 2d5r h ILE 166 N 0.49 1.19 -0.57 1.22 1.08 -0.72 -0.17 117.51 120.03 2d5r h ILE 166 Ca 0.11 -0.51 -0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2d5r h ILE 166 Cb 0.48 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 2d5r h ILE 166 CO 0.02 0.22 0.25 0.50 -0.69 0.00 0.00 178.15 178.45 2d5r h LYS 167 N 0.85 0.85 0.15 2.37 3.64 -1.00 -1.73 116.57 121.69 2d5r h LYS 167 Ca 0.21 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2d5r h LYS 167 Cb 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2d5r h LYS 167 CO -0.03 0.71 -0.07 0.82 -2.27 0.00 0.00 179.45 178.61 2d5r h ILE 168 N 0.79 1.00 -0.45 2.00 2.04 -0.81 -0.21 117.51 121.87 2d5r h ILE 168 Ca 0.19 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.21 2d5r h ILE 168 Cb 0.17 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2d5r h ILE 168 CO -0.02 0.20 0.30 -0.07 0.00 0.00 0.00 178.15 178.56 2d5r h LEU 169 N -0.64 0.41 0.00 1.44 3.38 -1.02 -1.91 115.31 116.96 2d5r h LEU 169 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2d5r h LEU 169 Cb 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2d5r h LEU 169 CO 0.03 0.28 -1.00 0.35 0.09 0.00 0.00 178.44 178.19 2d5r n THR 170 N -4.48 0.03 -3.89 0.22 -2.24 -0.65 -4.97 114.28 98.30 2d5r n THR 170 Ca 0.05 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2d5r n THR 170 Cb 0.17 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.04 2d5r n THR 170 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2d5r n ASN 171 N -1.66 -3.95 -3.74 3.42 5.15 -0.11 -4.96 115.26 109.41 2d5r n ASN 171 Ca 0.03 -0.80 -0.09 0.00 -0.60 0.00 0.00 54.58 53.12 2d5r n ASN 171 Cb 0.37 -3.86 -0.03 0.00 -0.53 0.00 0.00 39.78 35.74 2d5r n ASN 171 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2d5r s SER 172 N -3.54 -0.32 0.72 1.20 1.04 -1.10 -5.05 113.70 106.66 2d5r s SER 172 Ca 0.52 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.33 2d5r s SER 172 Cb -0.26 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2d5r s SER 172 CO 0.83 -1.17 0.77 0.59 0.98 0.00 0.00 173.24 175.24 2d5r n ASN 173 N -0.40 -0.29 -4.78 7.02 5.03 -1.26 -4.62 115.26 115.95 2d5r n ASN 173 Ca -0.08 0.63 -0.33 0.00 0.87 0.00 0.00 54.58 55.67 2d5r n ASN 173 Cb 0.61 -1.32 0.03 0.00 -1.02 0.00 0.00 39.78 38.09 2d5r n ASN 173 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2d5r s LEU 174 N -1.78 3.45 0.31 3.41 1.43 -1.26 -4.95 118.68 119.29 2d5r s LEU 174 Ca 0.70 1.98 -0.28 0.00 -1.03 0.00 0.00 54.13 55.49 2d5r s LEU 174 Cb -0.35 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.19 2d5r s LEU 174 CO 0.54 -1.48 1.22 -2.65 0.23 0.00 0.00 176.35 174.20 2d5r n PRO 175 N -2.21 1.88 -0.17 1.29 -0.02 -1.26 -4.89 135.00 129.62 2d5r n PRO 175 Ca 0.10 0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 62.22 2d5r n PRO 175 Cb 0.52 -2.19 0.20 0.00 -0.02 0.00 0.00 33.50 32.02 2d5r n PRO 175 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2d5r h GLU 176 N 2.57 0.91 -5.91 -0.52 5.08 -1.99 -3.43 114.58 111.29 2d5r h GLU 176 Ca -0.44 -0.13 -0.59 0.00 -1.00 0.00 0.00 59.36 57.19 2d5r h GLU 176 Cb 1.30 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 2d5r h GLU 176 CO 0.63 0.73 -0.17 -1.21 -1.00 0.00 0.00 179.01 177.99 2d5r s GLU 177 N -5.47 4.12 0.20 2.33 0.41 -1.26 -4.97 118.70 114.06 2d5r s GLU 177 Ca -0.10 0.44 -0.10 0.00 -0.41 0.00 0.00 54.97 54.80 2d5r s GLU 177 Cb 0.16 -3.31 0.22 0.00 -1.78 0.00 0.00 34.13 29.42 2d5r s GLU 177 CO 0.80 0.48 1.80 1.49 -0.49 0.00 0.00 175.26 179.33 2d5r h GLU 178 N 5.49 0.63 -0.44 1.61 4.81 -1.95 -2.40 114.58 122.32 2d5r h GLU 178 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2d5r h GLU 178 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2d5r h GLU 178 CO 0.67 0.41 0.13 -0.07 -0.73 0.00 0.00 179.01 179.43 2d5r h LEU 179 N 0.64 0.58 -0.63 1.64 3.38 -1.96 -2.21 115.31 116.76 2d5r h LEU 179 Ca 0.28 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 2d5r h LEU 179 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2d5r h LEU 179 CO -0.18 0.57 -0.19 0.44 0.09 0.00 0.00 178.44 179.17 2d5r h ASP 180 N 0.63 0.89 -0.79 -0.43 3.32 -1.84 -2.11 116.42 116.09 2d5r h ASP 180 Ca 0.15 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2d5r h ASP 180 Cb 0.20 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 2d5r h ASP 180 CO -0.01 1.06 0.51 0.15 -1.72 0.00 0.00 179.24 179.24 2d5r h PHE 181 N 0.77 0.99 0.00 4.55 3.57 -0.98 -1.96 116.94 123.88 2d5r h PHE 181 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2d5r h PHE 181 Cb 0.73 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2d5r h PHE 181 CO 0.04 0.63 -0.44 0.74 -2.23 0.00 0.00 178.31 177.05 2d5r h PHE 182 N 1.07 0.00 -0.26 0.41 -1.00 -1.29 0.14 116.94 116.01 2d5r h PHE 182 Ca 0.29 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.03 2d5r h PHE 182 Cb -0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 2d5r h PHE 182 CO -0.02 0.44 0.00 0.93 -1.61 0.00 0.00 178.31 178.05 2d5r h GLU 183 N 0.00 0.46 -0.47 1.51 4.39 -0.84 -1.51 114.58 118.12 2d5r h GLU 183 Ca -0.00 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 2d5r h GLU 183 Cb 0.95 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2d5r h GLU 183 CO 0.06 0.63 -0.20 0.82 -1.16 0.00 0.00 179.01 179.16 2d5r h ILE 184 N 0.24 1.27 -0.73 3.13 2.04 -1.18 -2.79 117.51 119.48 2d5r h ILE 184 Ca 0.07 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.64 2d5r h ILE 184 Cb 0.42 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2d5r h ILE 184 CO 0.01 0.46 0.44 0.25 0.00 0.00 0.00 178.15 179.31 2d5r h LEU 185 N 0.81 0.68 -1.15 1.44 6.46 -0.56 -2.20 115.31 120.79 2d5r h LEU 185 Ca 0.11 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2d5r h LEU 185 Cb 0.75 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 2d5r h LEU 185 CO 0.06 0.45 0.19 0.03 -0.62 0.00 0.00 178.44 178.55 2d5r h ARG 186 N 0.82 0.79 -0.22 1.25 3.08 -1.02 0.44 114.38 119.51 2d5r h ARG 186 Ca 0.32 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2d5r h ARG 186 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2d5r h ARG 186 CO -0.16 0.67 0.10 -0.07 -1.07 0.00 0.00 179.97 179.44 2d5r h LEU 187 N 0.77 0.30 0.14 3.04 3.38 -1.15 -1.37 115.31 120.42 2d5r h LEU 187 Ca 0.18 -0.13 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2d5r h LEU 187 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2d5r h LEU 187 CO -0.01 0.35 -1.40 -0.26 0.09 0.00 0.00 178.44 177.21 2d5r h PHE 188 N 0.23 0.52 -2.31 1.13 -1.00 -1.32 -3.14 116.94 111.05 2d5r h PHE 188 Ca 0.08 -0.38 -0.59 0.00 2.81 0.00 0.00 57.97 59.89 2d5r h PHE 188 Cb 0.13 -0.02 -0.40 0.00 3.61 0.00 0.00 35.95 39.27 2d5r h PHE 188 CO -0.02 1.36 -0.85 1.19 -1.61 0.00 0.00 178.31 178.37 2d5r n PHE 189 N -3.51 1.22 0.12 -0.55 3.01 0.15 -3.56 117.46 114.33 2d5r n PHE 189 Ca -0.13 -3.79 0.17 0.00 1.01 0.00 0.00 57.45 54.71 2d5r n PHE 189 Cb 1.04 -0.32 0.73 0.00 -0.01 0.00 0.00 39.48 40.92 2d5r n PHE 189 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d5r h PRO 190 N 4.63 0.00 -4.54 -1.08 0.13 -1.41 -3.40 132.00 126.33 2d5r h PRO 190 Ca 0.16 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.69 2d5r h PRO 190 Cb 0.80 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.57 2d5r h PRO 190 CO 0.59 0.00 -0.82 0.08 -0.23 0.00 0.00 178.00 177.62 2d5r s VAL 191 N -4.88 1.51 -0.02 1.56 1.01 -1.26 -4.74 120.40 113.58 2d5r s VAL 191 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2d5r s VAL 191 Cb 0.17 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2d5r s VAL 191 CO 0.65 0.29 -0.00 -0.63 0.00 0.00 0.00 175.10 175.41 2d5r s ILE 192 N 1.48 0.16 -0.22 2.22 1.01 -1.26 -1.25 121.20 123.34 2d5r s ILE 192 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2d5r s ILE 192 Cb -0.15 -0.24 0.04 0.00 0.01 0.00 0.00 42.46 42.13 2d5r s ILE 192 CO -0.09 0.12 -0.15 -0.31 0.00 0.00 0.00 174.94 174.52 2d5r s TYR 193 N 0.84 2.97 -0.42 3.97 4.12 0.62 -1.19 117.35 128.26 2d5r s TYR 193 Ca -0.08 -1.97 -0.18 0.00 0.02 0.00 0.00 57.07 54.86 2d5r s TYR 193 Cb -0.12 -1.90 0.02 0.00 -1.52 0.00 0.00 41.96 38.45 2d5r s TYR 193 CO -0.02 -0.84 0.48 0.34 0.02 0.00 0.00 175.55 175.54 2d5r s ASP 194 N 1.21 6.23 0.39 2.29 3.68 -1.26 -0.84 116.67 128.37 2d5r s ASP 194 Ca -0.02 -0.57 0.11 0.00 2.13 0.00 0.00 52.55 54.20 2d5r s ASP 194 Cb -0.17 -2.25 0.90 0.00 -1.45 0.00 0.00 42.92 39.96 2d5r s ASP 194 CO -0.09 -0.62 1.91 0.58 0.13 0.00 0.00 175.17 177.08 2d5r h VAL 195 N 5.75 0.85 -0.08 1.11 2.07 0.51 -0.83 116.25 125.64 2d5r h VAL 195 Ca -0.26 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 2d5r h VAL 195 Cb 1.11 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2d5r h VAL 195 CO 0.81 0.11 -0.52 0.50 0.02 0.00 0.00 177.57 178.49 2d5r h LYS 196 N 0.59 0.21 -0.14 1.57 3.64 -1.93 -0.69 116.57 119.83 2d5r h LYS 196 Ca 0.39 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2d5r h LYS 196 Cb 0.69 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2d5r h LYS 196 CO -0.15 0.69 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.73 2d5r h TYR 197 N 0.17 0.33 -0.54 1.91 3.20 -1.55 -2.84 116.97 117.65 2d5r h TYR 197 Ca 0.00 -0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.89 2d5r h TYR 197 Cb 0.98 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2d5r h TYR 197 CO 0.02 0.61 0.37 -0.07 -1.64 0.00 0.00 178.16 177.45 2d5r h LEU 198 N -0.05 0.28 -2.57 2.82 3.38 -0.96 -1.25 115.31 116.95 2d5r h LEU 198 Ca 0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2d5r h LEU 198 Cb 0.53 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2d5r h LEU 198 CO 0.02 0.17 -0.01 0.24 0.09 0.00 0.00 178.44 178.95 2d5r h MET 199 N 0.31 0.00 0.00 1.13 2.86 -0.87 -1.46 114.93 116.89 2d5r h MET 199 Ca 0.25 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2d5r h MET 199 Cb 0.59 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2d5r h MET 199 CO -0.06 0.01 -0.12 0.87 1.06 0.00 0.00 176.91 178.66 2d5r h LYS 200 N 0.00 0.00 -0.01 1.72 1.57 -1.26 -2.22 116.57 116.37 2d5r h LYS 200 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d5r h LYS 200 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2d5r h LYS 200 CO 0.00 0.12 -0.35 0.43 -0.57 0.00 0.00 179.45 179.08 2d5r n SER 201 N -3.33 0.97 -4.23 0.86 7.64 -0.55 -4.68 113.62 110.30 2d5r n SER 201 Ca -0.00 -0.79 -0.42 0.00 1.01 0.00 0.00 58.87 58.67 2d5r n SER 201 Cb 0.34 0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 2d5r n SER 201 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d5r h LYS 203 N 8.34 0.10 -0.66 0.00 3.64 -1.83 -0.98 116.57 125.17 2d5r h LYS 203 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2d5r h LYS 203 Cb 1.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2d5r h LYS 203 CO 0.86 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 178.20 2d5r n ASN 204 N -4.97 4.58 -4.30 4.20 3.02 -1.26 -4.90 115.26 111.63 2d5r n ASN 204 Ca 0.37 -2.35 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 2d5r n ASN 204 Cb 1.30 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 39.76 2d5r n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d5r s LEU 205 N -1.67 2.47 0.22 3.41 1.43 -0.37 -5.06 118.68 119.11 2d5r s LEU 205 Ca 0.50 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 2d5r s LEU 205 Cb 0.31 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2d5r s LEU 205 CO 0.26 0.14 0.51 -1.59 0.23 0.00 0.00 176.35 175.90 2d5r s LYS 206 N 0.48 1.47 0.60 1.70 -2.85 -1.26 -4.76 119.74 115.12 2d5r s LYS 206 Ca -0.12 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2d5r s LYS 206 Cb -0.16 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2d5r s LYS 206 CO 0.05 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.29 2d5r n GLY 207 N -0.36 -1.99 1.63 0.59 0.00 -1.26 -4.30 105.19 99.50 2d5r n GLY 207 Ca -0.06 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2d5r n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d5r n GLY 208 N -0.03 -0.72 0.21 -0.02 0.00 -1.26 -4.77 105.19 98.61 2d5r n GLY 208 Ca 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 2d5r n GLY 208 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d5r h LEU 209 N 0.00 -0.03 -1.17 0.99 3.38 -1.99 -1.62 115.31 114.87 2d5r h LEU 209 Ca -0.17 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2d5r h LEU 209 Cb 0.50 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2d5r h LEU 209 CO 0.13 0.00 0.24 -0.61 0.09 0.00 0.00 178.44 178.29 2d5r h GLN 210 N 0.23 0.82 -0.06 1.13 5.75 -1.98 -0.20 115.11 120.79 2d5r h GLN 210 Ca 0.28 -0.12 -0.18 0.00 -0.15 0.00 0.00 58.65 58.48 2d5r h GLN 210 Cb 0.40 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2d5r h GLN 210 CO -0.38 0.67 -0.75 1.49 -2.65 0.00 0.00 178.83 177.22 2d5r h GLU 211 N 0.81 0.36 -0.13 1.69 4.81 -1.76 -2.55 114.58 117.81 2d5r h GLU 211 Ca 0.20 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2d5r h GLU 211 Cb 0.15 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2d5r h GLU 211 CO -0.02 0.95 -0.66 0.28 -0.73 0.00 0.00 179.01 178.84 2d5r h VAL 212 N 0.24 1.34 -0.65 0.32 2.07 -0.90 -1.29 116.25 117.38 2d5r h VAL 212 Ca -0.03 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 2d5r h VAL 212 Cb 1.32 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2d5r h VAL 212 CO 0.12 0.60 0.33 0.00 0.02 0.00 0.00 177.57 178.65 2d5r h ALA 213 N 0.90 0.84 -0.01 1.67 0.00 -1.00 0.84 119.26 122.50 2d5r h ALA 213 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d5r h ALA 213 Cb 1.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2d5r h ALA 213 CO 0.12 0.38 0.00 1.49 0.00 0.00 0.00 179.25 181.25 2d5r h GLU 214 N 0.90 0.01 -0.30 0.00 4.57 -1.30 0.56 114.58 119.02 2d5r h GLU 214 Ca 0.23 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2d5r h GLU 214 Cb 0.09 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2d5r h GLU 214 CO -0.03 0.14 0.05 1.96 -1.18 0.00 0.00 179.01 179.95 2d5r h GLN 215 N -0.12 0.44 -0.01 1.92 4.20 -0.94 -1.97 115.11 118.63 2d5r h GLN 215 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2d5r h GLN 215 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2d5r h GLN 215 CO -0.00 0.43 -0.31 1.28 -0.67 0.00 0.00 178.83 179.56 2d5r n LEU 216 N -4.35 1.51 -3.40 1.46 4.77 0.26 -4.98 117.00 112.28 2d5r n LEU 216 Ca 0.01 -0.49 -0.20 0.00 -0.03 0.00 0.00 56.01 55.30 2d5r n LEU 216 Cb 0.19 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2d5r n LEU 216 CO 0.37 0.28 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.09 2d5r n GLU 217 N -0.27 -2.21 -3.90 3.23 1.02 0.17 -4.99 120.64 113.69 2d5r n GLU 217 Ca 0.12 0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 57.69 2d5r n GLU 217 Cb 0.40 -5.31 -0.04 0.00 -0.02 0.00 0.00 31.44 26.47 2d5r n GLU 217 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d5r s LEU 218 N -5.79 4.35 -0.54 -4.62 1.43 0.31 -5.02 118.68 108.80 2d5r s LEU 218 Ca 0.43 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.57 2d5r s LEU 218 Cb -0.09 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.17 2d5r s LEU 218 CO 0.78 0.16 1.05 -0.70 0.23 0.00 0.00 176.35 177.87 2d5r s GLU 219 N -2.53 3.47 0.08 1.70 2.56 -1.26 -4.82 118.70 117.90 2d5r s GLU 219 Ca 0.36 0.07 -0.30 0.00 0.00 0.00 0.00 54.97 55.10 2d5r s GLU 219 Cb -0.13 -4.00 -0.06 0.00 2.00 0.00 0.00 34.13 31.94 2d5r s GLU 219 CO 0.28 -1.50 1.14 -0.98 -0.56 0.00 0.00 175.26 173.63 2d5r s ARG 220 N 4.34 4.50 -0.13 4.30 3.03 -1.26 -4.92 118.95 128.80 2d5r s ARG 220 Ca 0.38 1.70 0.00 0.00 2.03 0.00 0.00 55.73 59.84 2d5r s ARG 220 Cb -0.10 -3.34 0.02 0.00 -1.03 0.00 0.00 34.95 30.50 2d5r s ARG 220 CO 0.24 -0.13 -0.12 0.42 -1.13 0.00 0.00 175.30 174.57 2d5r s ILE 221 N 0.69 1.40 0.00 4.99 1.01 -1.26 -5.09 121.20 122.94 2d5r s ILE 221 Ca 0.55 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2d5r s ILE 221 Cb -0.28 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2d5r s ILE 221 CO 0.31 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.29 2d5r n GLY 222 N 4.74 -2.12 3.55 6.18 0.00 -1.26 -4.59 105.19 111.68 2d5r n GLY 222 Ca -0.16 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 2d5r n GLY 222 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2d5r n PRO 223 N -0.06 0.73 -0.23 1.61 -0.02 -1.26 -4.80 135.00 130.96 2d5r n PRO 223 Ca 0.00 -0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.03 2d5r n PRO 223 Cb 0.00 -3.35 -0.01 0.00 -0.02 0.00 0.00 33.50 30.12 2d5r n PRO 223 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2d5r n GLN 224 N 8.74 0.59 0.00 -0.52 1.13 -1.26 -2.33 117.38 123.73 2d5r n GLN 224 Ca 0.44 -0.79 0.00 0.00 -1.94 0.00 0.00 57.00 54.71 2d5r n GLN 224 Cb 0.45 -2.14 0.00 0.00 0.11 0.00 0.00 30.24 28.66 2d5r n GLN 224 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2d5r n HIS 225 N 4.89 0.00 -4.31 1.08 8.25 -1.26 -5.06 115.22 118.81 2d5r n HIS 225 Ca 0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.43 2d5r n HIS 225 Cb 0.05 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 2d5r n HIS 225 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2d5r s GLN 226 N 0.00 1.23 0.17 -0.41 -0.21 -0.98 -4.95 119.66 114.51 2d5r s GLN 226 Ca 0.00 -1.52 -0.25 0.00 0.02 0.00 0.00 55.36 53.62 2d5r s GLN 226 Cb 0.00 -0.97 0.05 0.00 1.00 0.00 0.00 33.01 33.09 2d5r s GLN 226 CO 0.00 0.16 1.57 0.00 -2.12 0.00 0.00 175.29 174.90 2d5r h ALA 227 N 2.72 -0.27 0.06 6.09 0.00 -1.88 -0.96 119.26 125.02 2d5r h ALA 227 Ca -0.38 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2d5r h ALA 227 Cb 1.21 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2d5r h ALA 227 CO 0.61 -0.79 -0.13 0.78 0.00 0.00 0.00 179.25 179.72 2d5r h GLY 228 N -0.23 -0.21 0.68 0.00 0.00 -1.85 -1.22 103.07 100.25 2d5r h GLY 228 Ca 0.18 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.72 2d5r h GLY 228 CO -0.66 -0.13 0.36 0.23 0.00 0.00 0.00 176.54 176.34 2d5r h SER 229 N -0.25 0.54 -0.64 0.19 0.87 -1.75 -2.45 113.55 110.06 2d5r h SER 229 Ca 0.03 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2d5r h SER 229 Cb 0.27 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2d5r h SER 229 CO -0.09 0.35 0.16 0.44 -0.53 0.00 0.00 176.83 177.16 2d5r h ASP 230 N 0.67 0.96 -0.30 6.23 3.32 -0.96 -2.72 116.42 123.63 2d5r h ASP 230 Ca 0.29 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2d5r h ASP 230 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2d5r h ASP 230 CO -0.18 0.94 0.16 0.77 -1.72 0.00 0.00 179.24 179.21 2d5r h SER 231 N 0.94 0.42 0.28 6.45 4.64 -0.82 -0.26 113.55 125.20 2d5r h SER 231 Ca 0.20 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2d5r h SER 231 Cb 0.35 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2d5r h SER 231 CO 0.00 0.36 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.12 2d5r h LEU 232 N 0.47 -0.32 -0.79 5.97 3.38 -1.15 -1.68 115.31 121.20 2d5r h LEU 232 Ca 0.12 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2d5r h LEU 232 Cb 0.06 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2d5r h LEU 232 CO -0.02 -0.10 0.47 -0.07 0.09 0.00 0.00 178.44 178.81 2d5r h LEU 233 N -0.52 0.73 -0.05 1.67 3.38 -1.23 -1.64 115.31 117.64 2d5r h LEU 233 Ca -0.04 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2d5r h LEU 233 Cb 0.39 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2d5r h LEU 233 CO 0.06 0.46 -0.09 0.74 0.09 0.00 0.00 178.44 179.70 2d5r h THR 234 N 0.86 0.76 -0.73 0.22 2.02 -0.87 0.18 112.91 115.34 2d5r h THR 234 Ca 0.35 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.56 2d5r h THR 234 Cb 0.19 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2d5r h THR 234 CO -0.18 0.00 0.46 1.23 0.37 0.00 0.00 175.52 177.40 2d5r h GLY 235 N -0.13 1.06 1.08 2.16 0.00 -0.93 0.82 103.07 107.13 2d5r h GLY 235 Ca 0.05 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2d5r h GLY 235 CO -0.13 0.28 0.06 -0.33 0.00 0.00 0.00 176.54 176.42 2d5r h MET 236 N 0.89 1.11 -0.55 4.80 2.07 -0.89 -2.62 114.93 119.73 2d5r h MET 236 Ca 0.30 -0.32 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 2d5r h MET 236 Cb 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 2d5r h MET 236 CO -0.12 1.04 -0.01 0.00 1.07 0.00 0.00 176.91 178.90 2d5r h ALA 237 N 1.03 0.75 0.62 6.32 0.00 -0.01 -2.37 119.26 125.60 2d5r h ALA 237 Ca 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2d5r h ALA 237 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2d5r h ALA 237 CO 0.02 0.58 -0.34 0.35 0.00 0.00 0.00 179.25 179.86 2d5r h PHE 238 N 0.87 -0.89 -0.65 0.00 3.57 -0.65 -0.74 116.94 118.45 2d5r h PHE 238 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2d5r h PHE 238 Cb 0.55 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2d5r h PHE 238 CO 0.04 -0.53 0.38 0.74 -2.23 0.00 0.00 178.31 176.71 2d5r h PHE 239 N -0.89 0.86 0.31 0.41 -1.00 -1.50 0.39 116.94 115.52 2d5r h PHE 239 Ca -0.08 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 2d5r h PHE 239 Cb 0.71 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2d5r h PHE 239 CO -0.07 0.59 -0.15 -0.22 -1.61 0.00 0.00 178.31 176.86 2d5r h LYS 240 N 0.88 -0.40 -0.68 1.51 3.64 -1.39 -2.66 116.57 117.47 2d5r h LYS 240 Ca 0.23 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2d5r h LYS 240 Cb -0.01 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2d5r h LYS 240 CO -0.04 -0.23 0.45 0.52 -2.27 0.00 0.00 179.45 177.87 2d5r h MET 241 N -0.47 0.72 0.00 1.90 2.86 -0.87 0.07 114.93 119.14 2d5r h MET 241 Ca -0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2d5r h MET 241 Cb 0.35 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2d5r h MET 241 CO 0.07 0.48 -0.10 -0.09 1.06 0.00 0.00 176.91 178.33 2d5r h ARG 242 N 0.75 0.00 0.01 1.72 1.12 0.11 -0.90 114.38 117.18 2d5r h ARG 242 Ca 0.28 0.00 -0.39 0.00 -1.11 0.00 0.00 59.98 58.76 2d5r h ARG 242 Cb 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.06 2d5r h ARG 242 CO -0.09 0.10 -2.46 0.39 -3.11 0.00 0.00 179.97 174.81 2d5r n GLU 243 N -3.61 0.65 0.20 0.20 -0.58 -0.76 -1.33 120.64 115.42 2d5r n GLU 243 Ca -0.02 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2d5r n GLU 243 Cb 0.22 -1.53 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 2d5r n GLU 243 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2d5r h MET 244 N -0.06 -0.50 0.00 3.49 4.05 -0.95 -3.39 114.93 117.56 2d5r h MET 244 Ca -0.58 0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 58.79 2d5r h MET 244 Cb 1.89 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 32.79 2d5r h MET 244 CO -0.10 -0.21 -1.90 1.19 0.23 0.00 0.00 176.91 176.12 2d5r n PHE 245 N -5.21 0.00 -4.70 1.39 3.01 -0.38 -4.92 117.46 106.65 2d5r n PHE 245 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.02 2d5r n PHE 245 Cb 0.28 -0.52 -0.12 0.00 -0.01 0.00 0.00 39.48 39.11 2d5r n PHE 245 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2d5r s PHE 246 N -3.01 2.87 -0.30 1.38 0.40 -0.98 -4.99 117.98 113.35 2d5r s PHE 246 Ca -0.07 -0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2d5r s PHE 246 Cb 0.10 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 2d5r s PHE 246 CO 0.73 0.22 1.53 0.39 0.70 0.00 0.00 175.22 178.79 2d5r n GLU 247 N 2.44 0.91 -1.14 0.44 -0.58 -1.26 -3.64 120.64 117.81 2d5r n GLU 247 Ca -0.18 -0.73 -0.05 0.00 -0.42 0.00 0.00 57.16 55.78 2d5r n GLU 247 Cb 0.53 -2.01 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 2d5r n GLU 247 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2d5r n ASP 248 N 3.92 -5.89 -3.31 1.62 8.00 -0.44 -4.91 116.55 115.55 2d5r n ASP 248 Ca 0.19 0.12 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 2d5r n ASP 248 Cb 0.15 -3.82 -0.04 0.00 -0.02 0.00 0.00 41.12 37.38 2d5r n ASP 248 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2d5r s HIS 249 N -1.42 -1.24 -0.00 1.24 2.46 -1.26 -4.99 115.29 110.08 2d5r s HIS 249 Ca 0.00 1.44 -0.30 0.00 0.47 0.00 0.00 55.06 56.67 2d5r s HIS 249 Cb 0.00 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 2d5r s HIS 249 CO 0.00 -0.77 1.31 0.42 -2.47 0.00 0.00 174.74 173.22 2d5r s ILE 250 N 2.73 3.91 -0.44 0.89 1.09 -1.26 -4.96 121.20 123.16 2d5r s ILE 250 Ca 0.14 1.29 -0.28 0.00 -1.10 0.00 0.00 60.65 60.71 2d5r s ILE 250 Cb -0.15 -3.83 -0.02 0.00 -1.06 0.00 0.00 42.46 37.41 2d5r s ILE 250 CO -0.18 0.02 1.77 -0.62 -0.10 0.00 0.00 174.94 175.83 2d5r s ASP 251 N 1.59 5.72 0.32 3.58 3.68 -1.26 -4.88 116.67 125.42 2d5r s ASP 251 Ca 0.60 0.90 0.01 0.00 2.13 0.00 0.00 52.55 56.19 2d5r s ASP 251 Cb -0.29 -2.53 0.55 0.00 -1.45 0.00 0.00 42.92 39.20 2d5r s ASP 251 CO 0.26 -1.92 1.95 0.44 0.13 0.00 0.00 175.17 176.03 2d5r h ASP 252 N 13.38 0.86 -0.85 -0.34 3.45 -1.95 -0.33 116.42 130.64 2d5r h ASP 252 Ca -0.30 -0.01 0.12 0.00 0.43 0.00 0.00 57.03 57.27 2d5r h ASP 252 Cb 1.16 -0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 39.67 2d5r h ASP 252 CO 1.11 0.59 0.55 0.00 -1.57 0.00 0.00 179.24 179.91 2d5r h ALA 253 N 1.53 1.77 0.00 3.45 0.00 -1.91 -1.54 119.26 122.56 2d5r h ALA 253 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2d5r h ALA 253 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2d5r h ALA 253 CO -0.10 0.03 -2.02 1.17 0.00 0.00 0.00 179.25 178.33 2d5r n LYS 254 N -4.53 0.66 0.00 0.00 4.81 -0.84 -4.77 118.16 113.49 2d5r n LYS 254 Ca 0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2d5r n LYS 254 Cb 0.38 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2d5r n LYS 254 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2d5r n TYR 255 N -2.54 0.00 -2.15 5.64 4.02 -0.19 -4.94 117.16 117.00 2d5r n TYR 255 Ca -0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 2d5r n TYR 255 Cb 0.82 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.11 2d5r n TYR 255 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d5r n GLY 257 N 3.63 0.76 3.53 0.00 0.00 -0.33 -4.90 105.19 107.89 2d5r n GLY 257 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2d5r n GLY 257 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2d5r s HIS 258 N -3.00 3.21 -0.07 1.61 5.04 -1.14 -4.99 115.29 115.95 2d5r s HIS 258 Ca 0.00 -0.12 -0.14 0.00 -1.54 0.00 0.00 55.06 53.27 2d5r s HIS 258 Cb 0.00 -2.65 -0.05 0.00 0.04 0.00 0.00 32.58 29.92 2d5r s HIS 258 CO 0.00 -0.45 0.35 -0.51 -2.34 0.00 0.00 174.74 171.79 2d5r s LEU 259 N 1.95 4.39 0.18 8.88 1.43 -1.26 -4.16 118.68 130.09 2d5r s LEU 259 Ca 0.10 0.77 -0.33 0.00 -1.03 0.00 0.00 54.13 53.65 2d5r s LEU 259 Cb -0.17 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.46 2d5r s LEU 259 CO 0.11 0.26 1.67 0.00 0.23 0.00 0.00 176.35 178.62 2d5r n TYR 260 N 2.42 2.52 0.00 0.29 9.36 -1.26 -2.44 117.16 128.05 2d5r n TYR 260 Ca -0.14 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2d5r n TYR 260 Cb 0.53 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 2d5r n TYR 260 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2d5r n GLY 261 N 3.75 2.76 0.27 2.98 0.00 -1.26 -4.33 105.19 109.36 2d5r n GLY 261 Ca 0.17 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.65 2d5r n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36