#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5r n ARG 15 N 0.00 0.98 0.00 -0.14 1.74 -1.22 -4.95 116.66 113.08 1d5r n ARG 15 Ca 0.00 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 1d5r n ARG 15 Cb 0.00 0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1d5r n ARG 15 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1d5r n TYR 16 N -1.30 0.00 -3.65 -1.55 9.36 -1.25 -3.46 117.16 115.31 1d5r n TYR 16 Ca 0.03 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.23 1d5r n TYR 16 Cb 0.25 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.89 1d5r n TYR 16 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1d5r s GLN 17 N 0.00 0.16 -0.16 2.98 0.74 -1.26 -4.64 119.66 117.49 1d5r s GLN 17 Ca 0.00 0.22 -0.29 0.00 0.05 0.00 0.00 55.36 55.34 1d5r s GLN 17 Cb 0.00 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 1d5r s GLN 17 CO 0.00 -0.02 1.43 -2.00 -0.55 0.00 0.00 175.29 174.15 1d5r s GLU 18 N 0.39 4.10 -0.30 1.67 2.56 -0.40 -4.93 118.70 121.80 1d5r s GLU 18 Ca 0.02 1.75 0.08 0.00 0.00 0.00 0.00 54.97 56.82 1d5r s GLU 18 Cb -0.04 -3.89 0.46 0.00 2.00 0.00 0.00 34.13 32.66 1d5r s GLU 18 CO -0.13 -0.90 1.18 -0.25 -0.56 0.00 0.00 175.26 174.60 1d5r n ASP 19 N 7.20 4.76 -0.01 -1.70 10.43 -1.26 -0.88 116.55 135.09 1d5r n ASP 19 Ca 0.16 -3.67 -0.07 0.00 2.57 0.00 0.00 54.79 53.78 1d5r n ASP 19 Cb 0.45 -0.35 -0.13 0.00 1.84 0.00 0.00 41.12 42.92 1d5r n ASP 19 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1d5r h GLY 20 N 2.23 0.00 0.00 0.44 0.00 -1.97 -3.43 103.07 100.33 1d5r h GLY 20 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1d5r h GLY 20 CO 0.74 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.97 1d5r n PHE 21 N -3.03 0.00 0.00 5.60 3.01 -1.26 -5.11 117.46 116.67 1d5r n PHE 21 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1d5r n PHE 21 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1d5r n PHE 21 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1d5r n ASP 22 N 0.00 0.00 -4.45 4.37 4.64 -1.15 -5.08 116.55 114.87 1d5r n ASP 22 Ca 0.00 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 53.11 1d5r n ASP 22 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 39.96 1d5r n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1d5r s LEU 23 N 0.00 2.57 -1.31 -2.67 1.43 -0.06 -4.99 118.68 113.66 1d5r s LEU 23 Ca 0.00 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 1d5r s LEU 23 Cb 0.00 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.84 1d5r s LEU 23 CO 0.00 0.20 1.76 -0.67 0.23 0.00 0.00 176.35 177.87 1d5r n ASP 24 N 1.01 4.88 -3.67 2.29 2.03 -1.26 -1.27 116.55 120.56 1d5r n ASP 24 Ca -0.16 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.11 1d5r n ASP 24 Cb 0.53 -1.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.13 1d5r n ASP 24 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1d5r s LEU 25 N 4.01 0.45 -0.11 -2.67 0.05 -1.26 -1.80 118.68 117.35 1d5r s LEU 25 Ca 0.53 -0.06 -0.05 0.00 0.05 0.00 0.00 54.13 54.60 1d5r s LEU 25 Cb 0.04 1.71 0.05 0.00 -2.05 0.00 0.00 46.19 45.95 1d5r s LEU 25 CO 0.07 -0.68 0.24 -0.89 -0.55 0.00 0.00 176.35 174.54 1d5r s THR 26 N -2.65 -0.21 -0.23 5.48 2.01 0.28 -2.37 115.64 117.95 1d5r s THR 26 Ca -0.04 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1d5r s THR 26 Cb -0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1d5r s THR 26 CO -0.04 0.09 1.38 -0.31 -0.69 0.00 0.00 174.62 175.06 1d5r s TYR 27 N 1.80 2.55 0.11 4.92 1.51 -1.26 -0.53 117.35 126.45 1d5r s TYR 27 Ca -0.04 0.79 0.07 0.00 -1.01 0.00 0.00 57.07 56.88 1d5r s TYR 27 Cb -0.11 -3.81 -0.21 0.00 -0.11 0.00 0.00 41.96 37.71 1d5r s TYR 27 CO -0.08 -2.13 1.24 0.82 -1.11 0.00 0.00 175.55 174.29 1d5r h ILE 28 N 5.85 1.66 -3.82 2.71 2.04 -0.56 -3.46 117.51 121.92 1d5r h ILE 28 Ca -0.29 -3.38 -0.09 0.00 1.00 0.00 0.00 64.86 62.11 1d5r h ILE 28 Cb 1.12 2.82 -0.13 0.00 -0.74 0.00 0.00 36.82 39.89 1d5r h ILE 28 CO 1.00 0.95 -0.33 -0.31 0.00 0.00 0.00 178.15 179.46 1d5r s TYR 29 N -2.70 0.24 0.41 1.37 1.51 -0.84 -4.98 117.35 112.37 1d5r s TYR 29 Ca 0.01 -0.64 0.15 0.00 -1.01 0.00 0.00 57.07 55.58 1d5r s TYR 29 Cb 0.10 -0.04 1.03 0.00 -0.11 0.00 0.00 41.96 42.94 1d5r s TYR 29 CO 0.82 -0.63 1.90 -1.00 -1.11 0.00 0.00 175.55 175.52 1d5r h PRO 30 N 2.63 0.44 -0.07 -1.71 0.13 -2.00 -1.78 132.00 129.64 1d5r h PRO 30 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1d5r h PRO 30 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1d5r h PRO 30 CO 0.52 0.29 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 1d5r n ASN 31 N -4.50 2.98 -3.96 1.44 2.04 -1.26 -4.87 115.26 107.13 1d5r n ASN 31 Ca 0.16 -1.96 -0.30 0.00 -0.44 0.00 0.00 54.58 52.04 1d5r n ASN 31 Cb 0.57 -0.03 -0.16 0.00 -2.53 0.00 0.00 39.78 37.63 1d5r n ASN 31 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1d5r s ILE 32 N -1.86 1.48 -0.11 1.53 1.01 -0.67 -0.47 121.20 122.12 1d5r s ILE 32 Ca 0.28 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1d5r s ILE 32 Cb 0.19 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1d5r s ILE 32 CO 0.29 0.13 -0.09 -0.63 0.00 0.00 0.00 174.94 174.64 1d5r s ILE 33 N 1.46 3.49 -0.19 2.92 1.01 0.13 0.25 121.20 130.26 1d5r s ILE 33 Ca -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1d5r s ILE 33 Cb -0.16 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1d5r s ILE 33 CO -0.08 0.55 -0.02 0.00 0.00 0.00 0.00 174.94 175.39 1d5r s ALA 34 N -0.12 2.97 0.34 9.38 0.00 0.31 -0.40 121.76 134.24 1d5r s ALA 34 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1d5r s ALA 34 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1d5r s ALA 34 CO 0.03 -0.08 0.22 0.00 0.00 0.00 0.00 175.76 175.93 1d5r s MET 35 N 0.88 1.75 0.60 0.00 0.23 -0.18 0.10 119.30 122.68 1d5r s MET 35 Ca 0.00 -2.03 0.03 0.00 -1.03 0.00 0.00 55.69 52.66 1d5r s MET 35 Cb -0.14 0.05 0.11 0.00 -1.53 0.00 0.00 34.83 33.32 1d5r s MET 35 CO 0.02 -0.57 0.83 0.41 -2.03 0.00 0.00 175.02 173.67 1d5r n GLY 36 N -0.67 1.14 3.67 3.16 0.00 -0.75 -3.42 105.19 108.32 1d5r n GLY 36 Ca 0.03 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1d5r n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1d5r s PHE 37 N -2.56 2.41 -1.07 1.61 5.36 0.64 -4.68 117.98 119.69 1d5r s PHE 37 Ca 0.58 0.54 -0.22 0.00 -0.96 0.00 0.00 56.93 56.86 1d5r s PHE 37 Cb -0.04 -3.76 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 1d5r s PHE 37 CO 0.38 -3.02 1.77 -2.14 -1.46 0.00 0.00 175.22 170.75 1d5r s PRO 38 N 3.46 3.10 0.13 10.12 0.02 -1.26 -4.19 135.00 146.38 1d5r s PRO 38 Ca 0.67 -1.04 -0.30 0.00 0.02 0.00 0.00 61.00 60.35 1d5r s PRO 38 Cb -0.30 -5.28 -0.07 0.00 0.02 0.00 0.00 34.50 28.87 1d5r s PRO 38 CO 0.25 -2.97 1.13 0.00 -0.33 0.00 0.00 177.00 175.08 1d5r s ALA 39 N 7.75 3.37 0.03 -1.55 0.00 -0.51 -4.50 121.76 126.34 1d5r s ALA 39 Ca 0.60 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 53.18 1d5r s ALA 39 Cb -0.01 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 1d5r s ALA 39 CO 0.01 -0.29 1.23 0.93 0.00 0.00 0.00 175.76 177.64 1d5r h GLU 40 N 5.73 0.41 -2.62 0.00 5.08 -1.92 -2.34 114.58 118.92 1d5r h GLU 40 Ca -0.43 -0.31 -0.60 0.00 -1.00 0.00 0.00 59.36 57.02 1d5r h GLU 40 Cb 1.21 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.12 1d5r h GLU 40 CO 0.75 0.93 -0.80 -2.13 -1.00 0.00 0.00 179.01 176.76 1d5r n ARG 41 N -4.38 1.01 -1.16 2.33 0.63 -1.26 -4.83 116.66 109.00 1d5r n ARG 41 Ca -0.08 -3.79 -0.37 0.00 -0.92 0.00 0.00 57.85 52.69 1d5r n ARG 41 Cb 0.51 -1.92 0.03 0.00 0.45 0.00 0.00 32.46 31.53 1d5r n ARG 41 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1d5r n LEU 42 N 2.28 -3.50 0.00 6.15 -0.00 -1.26 -5.00 117.00 115.66 1d5r n LEU 42 Ca 0.25 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1d5r n LEU 42 Cb 0.43 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1d5r n LEU 42 CO 0.18 -4.85 0.00 1.21 -0.00 0.00 0.00 177.39 173.93 1d5r n GLU 43 N 1.34 0.00 0.00 1.47 2.13 -1.22 -5.00 120.64 119.36 1d5r n GLU 43 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1d5r n GLU 43 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1d5r n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1d5r n GLY 44 N -0.29 1.21 0.20 8.31 0.00 -1.26 0.34 105.19 113.69 1d5r n GLY 44 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 46.02 46.68 1d5r n GLY 44 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1d5r h VAL 45 N 0.00 0.13 -3.43 1.61 2.07 -2.00 -3.45 116.25 111.18 1d5r h VAL 45 Ca 0.00 -1.18 -0.52 0.00 0.82 0.00 0.00 66.70 65.81 1d5r h VAL 45 Cb 0.00 2.01 0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1d5r h VAL 45 CO 0.00 0.07 0.64 -0.31 0.02 0.00 0.00 177.57 177.99 1d5r s TYR 46 N -3.19 3.26 0.00 1.57 4.12 0.15 -4.91 117.35 118.36 1d5r s TYR 46 Ca 0.06 1.26 0.00 0.00 0.02 0.00 0.00 57.07 58.40 1d5r s TYR 46 Cb 0.06 -3.59 0.00 0.00 -1.52 0.00 0.00 41.96 36.91 1d5r s TYR 46 CO 0.69 -1.81 0.00 0.54 0.02 0.00 0.00 175.55 175.00 1d5r n ARG 47 N 2.49 0.00 -2.19 -0.62 5.12 -1.26 -3.37 116.66 116.83 1d5r n ARG 47 Ca 0.05 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 1d5r n ARG 47 Cb 0.43 -0.39 -0.03 0.00 -1.16 0.00 0.00 32.46 31.32 1d5r n ARG 47 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1d5r s ASN 48 N -4.14 6.83 -0.11 0.55 -0.87 -1.26 -4.98 114.94 110.96 1d5r s ASN 48 Ca 0.00 2.20 -0.27 0.00 -1.57 0.00 0.00 52.86 53.21 1d5r s ASN 48 Cb 0.00 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 1d5r s ASN 48 CO 0.00 -0.71 0.90 0.20 -2.57 0.00 0.00 177.10 174.91 1d5r s ASN 49 N 1.73 7.12 0.54 -1.22 -0.87 -1.26 -1.42 114.94 119.56 1d5r s ASN 49 Ca 0.65 1.37 0.24 0.00 -1.57 0.00 0.00 52.86 53.55 1d5r s ASN 49 Cb -0.33 -2.50 1.42 0.00 -0.02 0.00 0.00 41.25 39.82 1d5r s ASN 49 CO 0.28 -0.36 2.03 -0.29 -2.57 0.00 0.00 177.10 176.19 1d5r h ILE 50 N 5.05 0.72 -0.30 0.60 2.10 -1.65 -2.11 117.51 121.92 1d5r h ILE 50 Ca -0.33 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.53 1d5r h ILE 50 Cb 1.16 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 1d5r h ILE 50 CO 0.82 0.00 -0.12 0.44 -1.08 0.00 0.00 178.15 178.21 1d5r h ASP 51 N 0.00 0.63 -0.66 2.19 3.32 -1.92 -2.46 116.42 117.52 1d5r h ASP 51 Ca 0.18 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 1d5r h ASP 51 Cb 0.77 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1d5r h ASP 51 CO -0.00 0.88 0.16 0.44 -1.72 0.00 0.00 179.24 178.99 1d5r h ASP 52 N 0.37 1.02 -0.80 6.45 3.32 -1.80 0.33 116.42 125.30 1d5r h ASP 52 Ca 0.07 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1d5r h ASP 52 Cb 0.63 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1d5r h ASP 52 CO 0.04 0.98 0.35 0.58 -1.72 0.00 0.00 179.24 179.47 1d5r h VAL 53 N 1.02 1.26 0.41 -1.35 2.07 -1.49 0.51 116.25 118.68 1d5r h VAL 53 Ca 0.21 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1d5r h VAL 53 Cb 0.37 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1d5r h VAL 53 CO 0.00 0.32 -0.20 0.58 0.02 0.00 0.00 177.57 178.30 1d5r h VAL 54 N 1.16 0.58 -0.39 2.57 2.07 -1.00 0.92 116.25 122.15 1d5r h VAL 54 Ca 0.27 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1d5r h VAL 54 Cb 0.17 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1d5r h VAL 54 CO -0.03 0.05 -0.33 0.03 0.02 0.00 0.00 177.57 177.32 1d5r h ARG 55 N -0.73 -0.25 -0.08 1.57 3.08 -0.57 0.17 114.38 117.57 1d5r h ARG 55 Ca -0.06 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1d5r h ARG 55 Cb 0.52 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1d5r h ARG 55 CO 0.09 -0.17 -0.47 0.35 -1.07 0.00 0.00 179.97 178.71 1d5r h PHE 56 N -0.26 -1.36 -0.84 3.04 3.57 0.20 0.54 116.94 121.84 1d5r h PHE 56 Ca 0.17 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1d5r h PHE 56 Cb 0.54 0.61 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1d5r h PHE 56 CO -0.54 -0.52 0.45 -0.07 -2.23 0.00 0.00 178.31 175.41 1d5r h LEU 57 N -0.56 1.05 -0.30 0.59 3.38 -0.37 -1.34 115.31 117.75 1d5r h LEU 57 Ca 0.05 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1d5r h LEU 57 Cb 0.67 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1d5r h LEU 57 CO -0.39 0.85 -0.48 0.44 0.09 0.00 0.00 178.44 178.96 1d5r h ASP 58 N 1.17 0.95 0.47 -0.43 3.32 -0.30 0.72 116.42 122.31 1d5r h ASP 58 Ca 0.29 -0.51 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 1d5r h ASP 58 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1d5r h ASP 58 CO -0.05 1.28 -0.54 0.77 -1.72 0.00 0.00 179.24 178.98 1d5r h SER 59 N 0.64 0.08 0.00 6.45 4.64 0.22 -3.11 113.55 122.48 1d5r h SER 59 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1d5r h SER 59 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1d5r h SER 59 CO 0.11 0.61 -1.17 0.29 -0.87 0.00 0.00 176.83 175.80 1d5r n LYS 60 N -3.90 1.27 -3.35 4.77 5.02 -0.52 -4.79 118.16 116.66 1d5r n LYS 60 Ca -0.02 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 1d5r n LYS 60 Cb 0.56 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 1d5r n LYS 60 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1d5r s HIS 61 N -2.75 0.02 0.00 2.13 3.76 0.25 -5.06 115.29 113.65 1d5r s HIS 61 Ca 0.01 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.73 1d5r s HIS 61 Cb 0.11 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1d5r s HIS 61 CO 0.65 -0.94 0.00 1.63 -0.85 0.00 0.00 174.74 175.23 1d5r n LYS 62 N 3.93 0.00 -2.82 1.40 5.02 -1.17 -3.93 118.16 120.58 1d5r n LYS 62 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 1d5r n LYS 62 Cb 0.44 -0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.95 1d5r n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1d5r n ASN 63 N 0.00 3.41 -1.11 4.39 4.13 -1.26 -4.72 115.26 120.10 1d5r n ASN 63 Ca 0.00 -3.43 0.03 0.00 1.68 0.00 0.00 54.58 52.87 1d5r n ASN 63 Cb 0.00 -0.54 0.04 0.00 -1.54 0.00 0.00 39.78 37.74 1d5r n ASN 63 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1d5r n HIS 64 N -0.18 0.00 -4.38 3.10 8.25 -1.26 -4.93 115.22 115.82 1d5r n HIS 64 Ca 0.29 -0.49 -0.20 0.00 -0.26 0.00 0.00 57.72 57.07 1d5r n HIS 64 Cb 0.58 -0.13 -0.14 0.00 1.12 0.00 0.00 29.99 31.42 1d5r n HIS 64 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1d5r s TYR 65 N -0.41 1.15 -0.03 4.41 -0.85 -1.26 -1.88 117.35 118.47 1d5r s TYR 65 Ca 0.26 -0.32 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1d5r s TYR 65 Cb 0.29 -0.69 0.01 0.00 0.38 0.00 0.00 41.96 41.94 1d5r s TYR 65 CO -0.11 0.02 -0.09 0.21 -1.52 0.00 0.00 175.55 174.05 1d5r s LYS 66 N -0.93 1.09 0.02 -3.49 2.20 -0.85 -4.38 119.74 113.40 1d5r s LYS 66 Ca 0.02 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1d5r s LYS 66 Cb -0.07 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.22 1d5r s LYS 66 CO 0.01 0.09 0.19 0.42 -0.36 0.00 0.00 175.35 175.69 1d5r s ILE 67 N 0.33 5.36 -0.21 5.43 -1.09 -0.71 -2.18 121.20 128.14 1d5r s ILE 67 Ca -0.06 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 1d5r s ILE 67 Cb -0.10 -3.55 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1d5r s ILE 67 CO 0.01 0.24 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.56 1d5r s TYR 68 N -1.40 2.46 -0.33 3.97 1.51 -0.73 -0.66 117.35 122.17 1d5r s TYR 68 Ca 0.30 -1.66 -0.14 0.00 -1.01 0.00 0.00 57.07 54.56 1d5r s TYR 68 Cb -0.13 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1d5r s TYR 68 CO 0.23 -0.76 0.29 1.21 -1.11 0.00 0.00 175.55 175.41 1d5r s ASN 69 N 1.38 6.12 0.00 2.29 2.47 0.24 -1.82 114.94 125.61 1d5r s ASN 69 Ca -0.03 -0.25 0.23 0.00 0.42 0.00 0.00 52.86 53.24 1d5r s ASN 69 Cb -0.17 -2.17 0.52 0.00 -1.45 0.00 0.00 41.25 37.99 1d5r s ASN 69 CO -0.08 -0.25 1.44 0.18 -3.72 0.00 0.00 177.10 174.67 1d5r n LEU 70 N 5.23 2.74 -4.57 3.21 4.77 -0.71 -1.53 117.00 126.14 1d5r n LEU 70 Ca -0.11 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.35 1d5r n LEU 70 Cb 0.50 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1d5r n LEU 70 CO 0.38 0.56 1.30 0.00 -1.33 0.00 0.00 177.39 178.29 1d5r h ALA 72 N 11.49 0.89 -3.00 0.00 0.00 -1.86 -3.41 119.26 123.37 1d5r h ALA 72 Ca -0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1d5r h ALA 72 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1d5r h ALA 72 CO 1.21 0.64 0.00 -1.91 0.00 0.00 0.00 179.25 179.18 1d5r n GLU 73 N -4.03 0.00 -0.76 0.00 2.13 -1.26 -4.96 120.64 111.75 1d5r n GLU 73 Ca -0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.50 1d5r n GLU 73 Cb 0.51 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.47 1d5r n GLU 73 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1d5r s ARG 74 N 0.00 -1.80 0.23 5.31 1.81 -1.26 -5.09 118.95 118.15 1d5r s ARG 74 Ca 0.00 0.13 -0.22 0.00 -1.72 0.00 0.00 55.73 53.91 1d5r s ARG 74 Cb 0.00 -1.51 0.05 0.00 -0.45 0.00 0.00 34.95 33.04 1d5r s ARG 74 CO 0.00 -4.13 0.87 -1.58 -0.68 0.00 0.00 175.30 169.78 1d5r s HIS 75 N -2.67 -0.09 0.03 -0.53 2.46 -1.26 -4.83 115.29 108.39 1d5r s HIS 75 Ca 0.69 -0.33 -0.02 0.00 0.47 0.00 0.00 55.06 55.88 1d5r s HIS 75 Cb -0.13 0.70 -0.02 0.00 -0.13 0.00 0.00 32.58 33.00 1d5r s HIS 75 CO 0.58 -1.08 0.02 1.52 -2.47 0.00 0.00 174.74 173.31 1d5r s TYR 76 N -3.24 0.28 -0.51 3.88 -0.85 -1.26 -4.99 117.35 110.66 1d5r s TYR 76 Ca 0.13 -0.60 -0.28 0.00 -0.52 0.00 0.00 57.07 55.80 1d5r s TYR 76 Cb -0.04 -0.21 0.01 0.00 0.38 0.00 0.00 41.96 42.11 1d5r s TYR 76 CO 0.05 -0.29 1.40 -0.51 -1.52 0.00 0.00 175.55 174.69 1d5r s ASP 77 N -1.94 6.21 0.00 -0.18 1.01 -1.26 -4.85 116.67 115.66 1d5r s ASP 77 Ca -0.08 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.63 1d5r s ASP 77 Cb -0.04 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1d5r s ASP 77 CO -0.04 -1.61 0.00 0.35 0.21 0.00 0.00 175.17 174.09 1d5r n THR 78 N 6.93 0.00 0.16 -1.27 -2.24 -1.26 -3.85 114.28 112.75 1d5r n THR 78 Ca 0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1d5r n THR 78 Cb 0.49 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 1d5r n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d5r h ALA 79 N 2.00 -0.46 -0.73 6.98 0.00 -1.98 -3.20 119.26 121.88 1d5r h ALA 79 Ca 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1d5r h ALA 79 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1d5r h ALA 79 CO 0.00 -0.54 0.67 0.87 0.00 0.00 0.00 179.25 180.25 1d5r h LYS 80 N -0.90 0.00 -5.42 0.00 6.56 -1.99 -3.39 116.57 111.43 1d5r h LYS 80 Ca -0.05 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.91 1d5r h LYS 80 Cb 0.53 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.05 1d5r h LYS 80 CO 0.08 0.00 0.10 -0.06 -2.06 0.00 0.00 179.45 177.51 1d5r s PHE 81 N -4.71 3.15 -1.06 -1.35 0.40 -1.21 -4.91 117.98 108.30 1d5r s PHE 81 Ca -0.04 0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1d5r s PHE 81 Cb 0.18 -3.12 -0.15 0.00 0.51 0.00 0.00 43.02 40.44 1d5r s PHE 81 CO 0.62 -0.64 3.19 -1.71 0.70 0.00 0.00 175.22 177.37 1d5r n ASN 82 N 6.01 7.51 -0.86 1.36 5.15 -1.26 -4.77 115.26 128.40 1d5r n ASN 82 Ca -0.02 -2.53 0.00 0.00 -0.60 0.00 0.00 54.58 51.43 1d5r n ASN 82 Cb 0.49 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 1d5r n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d5r s ARG 84 N -1.58 3.91 -0.44 0.00 3.00 -1.26 -4.99 118.95 117.58 1d5r s ARG 84 Ca 0.00 0.39 0.03 0.00 -1.00 0.00 0.00 55.73 55.16 1d5r s ARG 84 Cb 0.00 -3.17 0.12 0.00 0.00 0.00 0.00 34.95 31.90 1d5r s ARG 84 CO 0.00 0.66 0.18 0.08 0.00 0.00 0.00 175.30 176.22 1d5r s VAL 85 N -1.15 2.19 0.18 7.11 1.01 -1.26 -1.74 120.40 126.74 1d5r s VAL 85 Ca 0.26 -2.77 -0.30 0.00 0.00 0.00 0.00 61.98 59.18 1d5r s VAL 85 Cb -0.16 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1d5r s VAL 85 CO 0.15 -0.74 1.03 0.00 0.00 0.00 0.00 175.10 175.54 1d5r s ALA 86 N 0.31 3.33 -0.23 5.51 0.00 0.16 -4.88 121.76 125.97 1d5r s ALA 86 Ca 0.15 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1d5r s ALA 86 Cb -0.23 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1d5r s ALA 86 CO -0.04 -0.08 0.06 -0.65 0.00 0.00 0.00 175.76 175.05 1d5r s GLN 87 N -0.53 3.70 -0.43 0.00 -0.21 -1.26 -0.59 119.66 120.34 1d5r s GLN 87 Ca 0.47 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.47 1d5r s GLN 87 Cb -0.27 -3.27 0.29 0.00 1.00 0.00 0.00 33.01 30.76 1d5r s GLN 87 CO 0.34 -0.08 0.66 0.66 -2.12 0.00 0.00 175.29 174.74 1d5r n TYR 88 N 4.59 0.76 -2.44 0.91 4.02 -0.58 -4.98 117.16 119.45 1d5r n TYR 88 Ca -0.16 -3.77 -0.38 0.00 -0.01 0.00 0.00 57.90 53.58 1d5r n TYR 88 Cb 0.52 -0.41 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 1d5r n TYR 88 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1d5r s PRO 89 N -1.98 4.32 0.19 -0.72 0.04 -1.24 -4.20 135.00 131.41 1d5r s PRO 89 Ca 0.39 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 1d5r s PRO 89 Cb 0.24 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.97 1d5r s PRO 89 CO -0.09 -0.06 0.49 -0.59 0.04 0.00 0.00 177.00 176.79 1d5r s PHE 90 N -1.39 -0.05 0.33 0.56 -0.12 -0.83 -4.78 117.98 111.68 1d5r s PHE 90 Ca 0.52 -0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 56.83 1d5r s PHE 90 Cb -0.28 0.33 -0.10 0.00 -0.63 0.00 0.00 43.02 42.33 1d5r s PHE 90 CO 0.36 -0.88 1.30 -1.21 -0.05 0.00 0.00 175.22 174.74 1d5r s GLU 91 N -3.88 4.36 -0.24 1.99 0.41 -1.26 -3.27 118.70 116.80 1d5r s GLU 91 Ca 0.10 2.20 -0.39 0.00 -0.41 0.00 0.00 54.97 56.47 1d5r s GLU 91 Cb -0.00 -3.07 -0.15 0.00 -1.78 0.00 0.00 34.13 29.13 1d5r s GLU 91 CO -0.03 -0.18 1.79 -3.47 -0.49 0.00 0.00 175.26 172.89 1d5r n ASP 92 N 0.80 2.64 -0.12 -0.19 4.64 -1.26 -0.49 116.55 122.56 1d5r n ASP 92 Ca -0.00 1.03 -0.02 0.00 -1.38 0.00 0.00 54.79 54.43 1d5r n ASP 92 Cb 0.42 -1.20 -0.01 0.00 -1.04 0.00 0.00 41.12 39.30 1d5r n ASP 92 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1d5r n HIS 93 N 5.83 0.00 -4.23 -0.67 8.25 -1.26 -5.02 115.22 118.12 1d5r n HIS 93 Ca 0.26 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.48 1d5r n HIS 93 Cb 0.17 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 30.12 1d5r n HIS 93 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1d5r s ASN 94 N -2.15 4.41 0.64 0.41 0.02 0.35 -4.92 114.94 113.70 1d5r s ASN 94 Ca 0.00 -0.90 -0.08 0.00 -1.02 0.00 0.00 52.86 50.86 1d5r s ASN 94 Cb 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 41.25 40.66 1d5r s ASN 94 CO 0.00 -0.27 0.98 -2.16 0.02 0.00 0.00 177.10 175.67 1d5r s PRO 95 N -3.78 2.85 0.73 -0.60 0.04 -1.26 -4.74 135.00 128.24 1d5r s PRO 95 Ca 0.36 0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 1d5r s PRO 95 Cb -0.01 -2.17 0.09 0.00 0.04 0.00 0.00 34.50 32.44 1d5r s PRO 95 CO 0.21 -0.86 1.03 -1.25 0.04 0.00 0.00 177.00 176.18 1d5r s PRO 96 N -5.14 1.94 0.36 0.56 0.04 -1.26 -4.69 135.00 126.80 1d5r s PRO 96 Ca 0.56 -0.45 -0.28 0.00 0.04 0.00 0.00 61.00 60.87 1d5r s PRO 96 Cb -0.11 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1d5r s PRO 96 CO 0.47 -1.39 1.36 -0.65 0.04 0.00 0.00 177.00 176.83 1d5r s GLN 97 N -5.28 4.20 0.20 4.56 -0.21 -1.26 -4.91 119.66 116.97 1d5r s GLN 97 Ca 0.63 2.31 -0.13 0.00 0.02 0.00 0.00 55.36 58.19 1d5r s GLN 97 Cb -0.09 -2.98 0.24 0.00 1.00 0.00 0.00 33.01 31.18 1d5r s GLN 97 CO 0.45 -0.35 1.66 1.25 -2.12 0.00 0.00 175.29 176.18 1d5r h LEU 98 N 3.12 -0.32 0.00 2.90 7.12 -1.99 -1.11 115.31 125.03 1d5r h LEU 98 Ca -0.50 0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1d5r h LEU 98 Cb 1.23 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1d5r h LEU 98 CO 0.64 -0.12 0.00 -0.62 -0.13 0.00 0.00 178.44 178.21 1d5r n GLU 99 N -5.29 0.24 0.08 1.25 1.02 -1.26 -2.30 120.64 114.38 1d5r n GLU 99 Ca 0.07 0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 57.22 1d5r n GLU 99 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 1d5r n GLU 99 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1d5r h LEU 100 N 0.00 0.32 0.89 -4.62 5.85 -1.56 -3.40 115.31 112.79 1d5r h LEU 100 Ca 0.00 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1d5r h LEU 100 Cb 0.07 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.00 1d5r h LEU 100 CO 0.00 1.10 -0.43 0.40 -0.34 0.00 0.00 178.44 179.18 1d5r h ILE 101 N 0.12 0.00 -0.02 4.05 2.04 -1.58 -2.76 117.51 119.36 1d5r h ILE 101 Ca -0.06 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1d5r h ILE 101 Cb 1.60 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1d5r h ILE 101 CO 0.15 0.00 -0.33 0.50 0.00 0.00 0.00 178.15 178.47 1d5r h LYS 102 N -1.21 -0.45 -0.70 2.37 3.64 -1.77 -0.95 116.57 117.51 1d5r h LYS 102 Ca -0.12 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1d5r h LYS 102 Cb 0.91 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1d5r h LYS 102 CO 0.20 -0.30 0.46 -1.00 -2.27 0.00 0.00 179.45 176.54 1d5r h PRO 103 N -0.47 0.60 -0.55 1.90 0.13 -1.76 -1.59 132.00 130.26 1d5r h PRO 103 Ca 0.07 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1d5r h PRO 103 Cb 0.57 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1d5r h PRO 103 CO -0.29 0.40 0.32 0.35 -0.23 0.00 0.00 178.00 178.55 1d5r h PHE 104 N 0.62 0.75 -0.46 1.56 3.57 -0.95 -1.38 116.94 120.64 1d5r h PHE 104 Ca 0.31 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1d5r h PHE 104 Cb 0.42 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1d5r h PHE 104 CO -0.00 0.53 0.08 0.00 -2.23 0.00 0.00 178.31 176.69 1d5r h GLU 106 N 0.68 0.73 0.76 0.00 5.08 -1.15 -0.94 114.58 119.75 1d5r h GLU 106 Ca 0.15 -0.62 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1d5r h GLU 106 Cb 0.31 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1d5r h GLU 106 CO 0.00 1.23 -0.49 0.22 -1.00 0.00 0.00 179.01 178.97 1d5r h ASP 107 N 0.49 -1.26 -0.52 1.42 1.82 -0.99 0.51 116.42 117.89 1d5r h ASP 107 Ca -0.06 0.07 0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1d5r h ASP 107 Cb 1.44 0.37 -0.05 0.00 0.68 0.00 0.00 39.33 41.77 1d5r h ASP 107 CO 0.16 -0.74 0.25 0.25 -1.61 0.00 0.00 179.24 177.55 1d5r h LEU 108 N -1.18 0.34 -1.64 2.28 6.46 -1.26 -0.58 115.31 119.73 1d5r h LEU 108 Ca -0.10 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 1d5r h LEU 108 Cb 0.96 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1d5r h LEU 108 CO 0.09 0.23 -0.20 -0.78 -0.62 0.00 0.00 178.44 177.16 1d5r h ASP 109 N 0.48 0.00 0.48 1.25 3.58 -0.96 -0.94 116.42 120.31 1d5r h ASP 109 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1d5r h ASP 109 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1d5r h ASP 109 CO -0.18 0.20 -0.23 -0.61 -2.88 0.00 0.00 179.24 175.53 1d5r h GLN 110 N 0.00 -0.63 -0.91 0.28 5.75 0.16 -2.29 115.11 117.47 1d5r h GLN 110 Ca -0.00 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1d5r h GLN 110 Cb 0.45 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1d5r h GLN 110 CO 0.03 -0.32 0.52 2.35 -2.65 0.00 0.00 178.83 178.76 1d5r h TRP 111 N -0.96 1.23 0.00 3.99 2.91 -1.13 -2.58 115.95 119.40 1d5r h TRP 111 Ca -0.07 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.90 1d5r h TRP 111 Cb 0.60 -0.40 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1d5r h TRP 111 CO 0.01 0.83 -0.15 -0.07 -1.03 0.00 0.00 178.44 178.03 1d5r h LEU 112 N 1.26 0.00 -2.74 0.65 3.38 -1.25 -3.13 115.31 113.48 1d5r h LEU 112 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1d5r h LEU 112 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1d5r h LEU 112 CO -0.06 0.15 0.04 -1.54 0.09 0.00 0.00 178.44 177.12 1d5r n SER 113 N -3.24 4.69 -4.29 -0.43 3.41 -0.86 -4.77 113.62 108.13 1d5r n SER 113 Ca 0.01 -2.35 -0.34 0.00 -0.26 0.00 0.00 58.87 55.93 1d5r n SER 113 Cb 0.45 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 1d5r n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1d5r n GLU 114 N 1.08 -1.72 0.08 4.33 -0.58 -1.17 -4.80 120.64 117.86 1d5r n GLU 114 Ca 0.03 0.21 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1d5r n GLU 114 Cb 0.52 -4.33 -0.04 0.00 -0.57 0.00 0.00 31.44 27.03 1d5r n GLU 114 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1d5r h ASP 115 N -1.51 0.00 0.00 1.62 2.03 -1.65 -3.42 116.42 113.49 1d5r h ASP 115 Ca -0.63 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.67 1d5r h ASP 115 Cb 1.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 1d5r h ASP 115 CO 0.76 0.58 0.00 0.47 -1.03 0.00 0.00 179.24 180.01 1d5r n ASP 116 N -3.08 0.00 0.00 4.15 9.92 -1.26 -5.07 116.55 121.21 1d5r n ASP 116 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1d5r n ASP 116 Cb 0.80 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 1d5r n ASP 116 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1d5r n ASN 117 N -2.28 0.00 -0.34 -2.24 3.02 -1.24 -5.00 115.26 107.18 1d5r n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1d5r n ASN 117 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1d5r n ASN 117 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d5r n HIS 118 N 0.00 0.00 -4.00 3.10 1.44 -1.22 -3.07 115.22 111.47 1d5r n HIS 118 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1d5r n HIS 118 Cb 0.00 0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.02 1d5r n HIS 118 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1d5r s VAL 119 N 0.00 0.20 -0.04 0.61 1.01 -0.79 -4.63 120.40 116.76 1d5r s VAL 119 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1d5r s VAL 119 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.20 1d5r s VAL 119 CO 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 175.10 175.02 1d5r s ALA 120 N -0.23 0.80 -0.34 5.51 0.00 0.38 -2.02 121.76 125.86 1d5r s ALA 120 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1d5r s ALA 120 Cb -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1d5r s ALA 120 CO -0.00 0.06 0.09 0.00 0.00 0.00 0.00 175.76 175.91 1d5r s ALA 121 N 0.64 3.00 -0.12 0.00 0.00 -0.93 0.18 121.76 124.54 1d5r s ALA 121 Ca -0.10 -1.92 -0.10 0.00 0.00 0.00 0.00 51.96 49.84 1d5r s ALA 121 Cb -0.13 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1d5r s ALA 121 CO 0.01 -1.42 0.22 0.42 0.00 0.00 0.00 175.76 174.99 1d5r s ILE 122 N 1.31 5.36 0.07 0.00 1.09 0.46 -1.78 121.20 127.71 1d5r s ILE 122 Ca -0.01 0.39 -0.11 0.00 -1.10 0.00 0.00 60.65 59.82 1d5r s ILE 122 Cb -0.20 -3.52 0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1d5r s ILE 122 CO 0.00 0.54 0.25 -1.38 -0.10 0.00 0.00 174.94 174.25 1d5r s HIS 123 N -0.52 0.01 0.00 3.97 -3.43 -0.76 -1.01 115.29 113.55 1d5r s HIS 123 Ca 0.16 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 1d5r s HIS 123 Cb -0.13 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1d5r s HIS 123 CO 0.05 -0.52 0.00 0.00 -2.00 0.00 0.00 174.74 172.27 1d5r h LYS 125 N 0.00 0.00 -0.37 0.00 3.64 -1.92 -3.11 116.57 114.81 1d5r h LYS 125 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d5r h LYS 125 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1d5r h LYS 125 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1d5r n ALA 126 N -2.69 2.25 -3.25 5.00 0.00 -1.26 -0.26 120.51 120.30 1d5r n ALA 126 Ca -0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 53.44 52.17 1d5r n ALA 126 Cb 0.08 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.09 1d5r n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d5r n GLY 127 N 0.75 -0.36 0.00 0.00 0.00 -1.22 -4.59 105.19 99.76 1d5r n GLY 127 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1d5r n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1d5r n LYS 128 N -3.70 0.00 -0.01 1.61 4.81 -1.26 -4.84 118.16 114.77 1d5r n LYS 128 Ca -0.23 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.11 1d5r n LYS 128 Cb 0.65 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.66 1d5r n LYS 128 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1d5r h GLY 129 N 0.00 0.06 0.78 3.14 0.00 -1.95 -2.28 103.07 102.82 1d5r h GLY 129 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1d5r h GLY 129 CO 0.00 -0.08 0.01 3.21 0.00 0.00 0.00 176.54 179.68 1d5r h ARG 130 N -0.06 0.10 -0.80 4.80 3.08 -1.94 -2.60 114.38 116.97 1d5r h ARG 130 Ca 0.08 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1d5r h ARG 130 Cb 0.17 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1d5r h ARG 130 CO -0.17 0.32 0.53 1.15 -1.07 0.00 0.00 179.97 180.72 1d5r h THR 131 N -0.13 1.16 -0.75 2.04 2.02 -1.90 -3.02 112.91 112.33 1d5r h THR 131 Ca 0.02 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1d5r h THR 131 Cb 0.26 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1d5r h THR 131 CO 0.00 0.19 0.31 1.23 0.37 0.00 0.00 175.52 177.61 1d5r h GLY 132 N 1.02 1.19 0.99 2.16 0.00 -1.17 -2.27 103.07 105.00 1d5r h GLY 132 Ca 0.31 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1d5r h GLY 132 CO -0.08 0.61 -0.03 -2.08 0.00 0.00 0.00 176.54 174.96 1d5r h VAL 133 N 1.07 0.95 -0.46 4.60 2.07 -1.34 -1.57 116.25 121.57 1d5r h VAL 133 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1d5r h VAL 133 Cb 0.20 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1d5r h VAL 133 CO -0.02 0.00 0.05 0.24 0.02 0.00 0.00 177.57 177.86 1d5r h MET 134 N -0.07 0.78 -0.15 1.57 2.86 -1.55 -0.80 114.93 117.56 1d5r h MET 134 Ca -0.01 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1d5r h MET 134 Cb 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1d5r h MET 134 CO 0.01 0.81 -0.01 0.82 1.06 0.00 0.00 176.91 179.60 1d5r h ILE 135 N 0.64 1.26 -0.42 -1.22 2.04 -1.40 -1.17 117.51 117.24 1d5r h ILE 135 Ca 0.14 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1d5r h ILE 135 Cb 0.42 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1d5r h ILE 135 CO 0.01 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.55 1d5r h ALA 137 N 1.55 0.98 -0.24 0.00 0.00 -0.86 -2.26 119.26 118.44 1d5r h ALA 137 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1d5r h ALA 137 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1d5r h ALA 137 CO -0.01 0.42 0.02 -0.92 0.00 0.00 0.00 179.25 178.77 1d5r h TYR 138 N 1.05 0.44 -0.95 0.00 3.20 0.07 -1.67 116.97 119.12 1d5r h TYR 138 Ca 0.28 -0.07 0.21 0.00 3.14 0.00 0.00 58.73 62.29 1d5r h TYR 138 Cb -0.08 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 37.99 1d5r h TYR 138 CO -0.01 0.55 0.61 -0.07 -1.64 0.00 0.00 178.16 177.60 1d5r h LEU 139 N 0.20 0.50 0.07 2.82 3.38 -0.30 0.52 115.31 122.50 1d5r h LEU 139 Ca 0.07 0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.81 1d5r h LEU 139 Cb 0.36 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1d5r h LEU 139 CO 0.01 0.18 -1.18 -0.07 0.09 0.00 0.00 178.44 177.47 1d5r h LEU 140 N 0.49 0.89 -0.28 1.67 3.38 -1.20 0.70 115.31 120.95 1d5r h LEU 140 Ca 0.51 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1d5r h LEU 140 Cb 1.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1d5r h LEU 140 CO -0.24 1.58 -0.10 -0.74 0.09 0.00 0.00 178.44 179.03 1d5r h HIS 141 N 0.32 0.65 -0.36 1.13 2.76 -0.15 -3.03 115.15 116.47 1d5r h HIS 141 Ca -0.17 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 57.76 1d5r h HIS 141 Cb 1.84 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.63 1d5r h HIS 141 CO 0.11 0.79 -0.15 -0.09 -1.30 0.00 0.00 177.93 177.30 1d5r h ARG 142 N 0.32 0.64 0.00 5.26 1.12 -0.13 -3.47 114.38 118.12 1d5r h ARG 142 Ca 0.07 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1d5r h ARG 142 Cb 0.60 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1d5r h ARG 142 CO 0.04 0.77 0.00 0.41 -3.11 0.00 0.00 179.97 178.07 1d5r n GLY 143 N -0.47 1.31 0.19 2.80 0.00 -0.92 -5.01 105.19 103.10 1d5r n GLY 143 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1d5r n GLY 143 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1d5r h LYS 144 N 0.95 0.61 -5.74 1.61 1.63 -1.14 -3.44 116.57 111.04 1d5r h LYS 144 Ca 0.00 -0.25 -0.59 0.00 -0.85 0.00 0.00 60.65 58.97 1d5r h LYS 144 Cb 0.00 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 31.47 1d5r h LYS 144 CO 0.00 0.81 -0.65 -0.06 -3.45 0.00 0.00 179.45 176.10 1d5r s PHE 145 N -4.71 2.32 -0.01 1.91 0.40 -1.13 -5.05 117.98 111.70 1d5r s PHE 145 Ca -0.13 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 55.63 1d5r s PHE 145 Cb 0.08 -1.42 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 1d5r s PHE 145 CO 0.79 0.45 0.09 1.28 0.70 0.00 0.00 175.22 178.53 1d5r n LEU 146 N -0.79 0.00 -4.28 -0.37 7.99 -1.26 -4.50 117.00 113.79 1d5r n LEU 146 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.63 1d5r n LEU 146 Cb 0.65 0.01 -0.16 0.00 -0.11 0.00 0.00 43.42 43.81 1d5r n LEU 146 CO 0.44 0.01 -0.55 -0.54 -1.51 0.00 0.00 177.39 175.25 1d5r s LYS 147 N -2.28 2.67 0.20 3.23 1.02 -1.26 -5.01 119.74 118.30 1d5r s LYS 147 Ca -0.02 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 1d5r s LYS 147 Cb 0.03 -2.23 0.17 0.00 -0.52 0.00 0.00 37.83 35.28 1d5r s LYS 147 CO 0.18 0.36 1.60 0.00 -0.92 0.00 0.00 175.35 176.58 1d5r h ALA 148 N 6.13 0.14 -0.03 5.17 0.00 -1.95 -0.29 119.26 128.43 1d5r h ALA 148 Ca -0.31 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1d5r h ALA 148 Cb 1.18 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1d5r h ALA 148 CO 0.48 -0.58 0.03 0.37 0.00 0.00 0.00 179.25 179.55 1d5r h GLN 149 N -0.11 0.00 -0.19 0.00 4.15 -1.96 -0.84 115.11 116.15 1d5r h GLN 149 Ca 0.26 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.57 1d5r h GLN 149 Cb 0.53 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1d5r h GLN 149 CO -0.67 0.00 -0.32 0.93 -1.93 0.00 0.00 178.83 176.84 1d5r h GLU 150 N 0.00 0.56 -0.36 1.69 5.08 -1.48 -2.48 114.58 117.60 1d5r h GLU 150 Ca 0.01 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 1d5r h GLU 150 Cb 0.06 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1d5r h GLU 150 CO -0.00 0.95 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 1d5r h ALA 151 N 0.60 0.49 -0.27 3.43 0.00 -1.07 -2.16 119.26 120.28 1d5r h ALA 151 Ca 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1d5r h ALA 151 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1d5r h ALA 151 CO 0.07 0.33 0.16 -0.07 0.00 0.00 0.00 179.25 179.75 1d5r h LEU 152 N 0.48 0.33 -0.87 0.00 4.07 -1.23 -1.61 115.31 116.47 1d5r h LEU 152 Ca 0.09 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1d5r h LEU 152 Cb 0.59 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1d5r h LEU 152 CO 0.03 0.29 -0.04 0.44 -1.08 0.00 0.00 178.44 178.08 1d5r h ASP 153 N 0.34 0.78 0.71 -0.43 3.45 -1.46 -2.39 116.42 117.43 1d5r h ASP 153 Ca 0.10 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 1d5r h ASP 153 Cb 0.02 -0.21 0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1d5r h ASP 153 CO -0.02 0.87 -0.34 0.15 -1.57 0.00 0.00 179.24 178.32 1d5r h PHE 154 N 0.74 -0.89 -0.42 4.55 3.57 -1.10 -1.40 116.94 121.98 1d5r h PHE 154 Ca 0.14 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.70 1d5r h PHE 154 Cb 0.50 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1d5r h PHE 154 CO 0.03 -0.55 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.46 1d5r h TYR 155 N -0.96 -0.42 -0.23 0.41 3.20 -1.22 -1.42 116.97 116.32 1d5r h TYR 155 Ca -0.10 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1d5r h TYR 155 Cb 0.74 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 1d5r h TYR 155 CO -0.02 -0.26 -0.09 0.78 -1.64 0.00 0.00 178.16 176.93 1d5r h GLY 156 N -0.09 0.12 1.02 1.82 0.00 -1.26 0.68 103.07 105.37 1d5r h GLY 156 Ca 0.21 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 1d5r h GLY 156 CO -0.48 -0.11 0.30 0.83 0.00 0.00 0.00 176.54 177.07 1d5r h GLU 157 N -0.05 1.04 0.16 4.80 5.08 -0.76 0.36 114.58 125.22 1d5r h GLU 157 Ca 0.12 -0.18 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1d5r h GLU 157 Cb 0.23 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1d5r h GLU 157 CO -0.26 0.85 -1.37 0.28 -1.00 0.00 0.00 179.01 177.51 1d5r h VAL 158 N 1.00 1.37 0.23 3.13 2.07 -1.01 1.69 116.25 124.72 1d5r h VAL 158 Ca 0.24 -2.92 -0.33 0.00 0.82 0.00 0.00 66.70 64.51 1d5r h VAL 158 Cb 0.18 2.94 0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1d5r h VAL 158 CO -0.02 0.86 -1.51 -0.09 0.02 0.00 0.00 177.57 176.82 1d5r h ARG 159 N 0.09 0.48 -6.01 1.57 9.65 0.42 -3.22 114.38 117.36 1d5r h ARG 159 Ca -0.19 -0.83 -0.56 0.00 -1.10 0.00 0.00 59.98 57.30 1d5r h ARG 159 Cb 2.04 0.31 -0.09 0.00 -1.39 0.00 0.00 29.97 30.84 1d5r h ARG 159 CO 0.22 1.39 -0.55 0.95 2.80 0.00 0.00 179.97 184.78 1d5r s THR 160 N -2.60 2.68 -0.98 0.20 -4.23 0.11 -3.76 115.64 107.06 1d5r s THR 160 Ca -0.10 -1.77 0.23 0.00 -1.18 0.00 0.00 61.69 58.87 1d5r s THR 160 Cb 0.05 -2.93 -0.11 0.00 1.34 0.00 0.00 72.50 70.84 1d5r s THR 160 CO 0.92 -0.13 1.16 0.54 -0.54 0.00 0.00 174.62 176.57 1d5r n ARG 161 N -1.13 0.02 -0.13 3.99 1.74 -1.23 -0.68 116.66 119.24 1d5r n ARG 161 Ca -0.03 -0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.15 1d5r n ARG 161 Cb 0.63 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.71 1d5r n ARG 161 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1d5r n ASP 162 N -1.52 2.42 -3.93 0.55 3.85 -1.26 -4.69 116.55 111.96 1d5r n ASP 162 Ca 0.05 -3.14 -0.31 0.00 -0.71 0.00 0.00 54.79 50.67 1d5r n ASP 162 Cb 0.34 -0.45 0.01 0.00 -1.35 0.00 0.00 41.12 39.67 1d5r n ASP 162 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1d5r n LYS 163 N -1.35 -4.61 -3.75 0.11 5.02 -1.26 -4.93 118.16 107.38 1d5r n LYS 163 Ca 0.17 0.52 -0.28 0.00 -2.02 0.00 0.00 58.31 56.70 1d5r n LYS 163 Cb 0.66 -5.36 -0.11 0.00 -0.02 0.00 0.00 35.03 30.21 1d5r n LYS 163 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d5r n LYS 164 N -4.49 1.94 0.00 1.97 5.02 -1.26 -4.82 118.16 116.52 1d5r n LYS 164 Ca 0.05 -4.47 0.00 0.00 -2.02 0.00 0.00 58.31 51.86 1d5r n LYS 164 Cb 0.52 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1d5r n LYS 164 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d5r n GLY 165 N 1.70 0.79 3.57 0.72 0.00 -1.26 -4.84 105.19 105.87 1d5r n GLY 165 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1d5r n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5r s VAL 166 N 0.41 4.28 -0.03 1.61 1.01 -1.26 -4.32 120.40 122.10 1d5r s VAL 166 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.90 1d5r s VAL 166 Cb 0.00 -4.56 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 1d5r s VAL 166 CO 0.00 -1.04 0.08 0.35 0.00 0.00 0.00 175.10 174.49 1d5r n THR 167 N 6.58 0.17 -2.04 3.92 -2.24 -1.26 -4.85 114.28 114.57 1d5r n THR 167 Ca 0.08 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1d5r n THR 167 Cb 0.49 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1d5r n THR 167 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1d5r s ILE 168 N -2.29 3.61 0.39 2.28 1.01 -1.26 -4.90 121.20 120.05 1d5r s ILE 168 Ca -0.02 0.72 0.15 0.00 0.00 0.00 0.00 60.65 61.50 1d5r s ILE 168 Cb 0.03 -3.53 0.37 0.00 0.01 0.00 0.00 42.46 39.33 1d5r s ILE 168 CO 0.24 -0.14 1.82 1.55 0.00 0.00 0.00 174.94 178.41 1d5r h PRO 169 N 10.12 0.47 -0.77 2.79 0.13 -1.87 0.81 132.00 143.68 1d5r h PRO 169 Ca -0.37 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1d5r h PRO 169 Cb 1.17 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1d5r h PRO 169 CO 0.97 0.31 0.38 0.77 -0.23 0.00 0.00 178.00 180.20 1d5r h SER 170 N 0.48 0.99 -0.12 1.44 0.02 -1.90 0.46 113.55 114.92 1d5r h SER 170 Ca 0.52 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1d5r h SER 170 Cb 1.20 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1d5r h SER 170 CO -0.24 0.83 -0.13 1.56 -1.14 0.00 0.00 176.83 177.70 1d5r h GLN 171 N 1.09 0.30 -0.87 3.45 4.20 -1.24 -2.96 115.11 119.08 1d5r h GLN 171 Ca 0.27 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.86 1d5r h GLN 171 Cb 0.10 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 1d5r h GLN 171 CO -0.04 0.72 0.57 0.00 -0.67 0.00 0.00 178.83 179.41 1d5r h ARG 172 N -0.11 0.99 -0.71 1.46 3.08 -0.78 -2.32 114.38 115.99 1d5r h ARG 172 Ca 0.02 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.09 1d5r h ARG 172 Cb 0.67 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1d5r h ARG 172 CO 0.03 0.65 0.37 -0.09 -1.07 0.00 0.00 179.97 179.87 1d5r h ARG 173 N 1.02 0.64 0.00 0.04 2.43 0.03 -1.75 114.38 116.78 1d5r h ARG 173 Ca 0.36 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1d5r h ARG 173 Cb 0.13 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1d5r h ARG 173 CO -0.12 0.42 -0.00 1.88 -1.51 0.00 0.00 179.97 180.64 1d5r h TYR 174 N 0.65 0.00 -0.01 2.20 -1.99 -1.26 -0.70 116.97 115.86 1d5r h TYR 174 Ca 0.33 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.88 1d5r h TYR 174 Cb 0.29 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1d5r h TYR 174 CO -0.09 0.00 -0.82 0.28 -0.00 0.00 0.00 178.16 177.53 1d5r h VAL 175 N 0.00 1.48 -0.06 -2.88 2.07 -1.33 -2.37 116.25 113.16 1d5r h VAL 175 Ca -0.00 -2.50 -0.20 0.00 0.82 0.00 0.00 66.70 64.83 1d5r h VAL 175 Cb 0.39 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1d5r h VAL 175 CO 0.00 0.73 -0.79 1.88 0.02 0.00 0.00 177.57 179.41 1d5r h TYR 176 N 0.11 0.57 -0.27 1.57 -1.99 -1.18 -2.02 116.97 113.76 1d5r h TYR 176 Ca -0.03 -0.27 0.04 0.00 2.00 0.00 0.00 58.73 60.46 1d5r h TYR 176 Cb 1.42 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 40.03 1d5r h TYR 176 CO 0.03 1.04 0.06 1.88 -0.00 0.00 0.00 178.16 181.17 1d5r h TYR 177 N 0.27 0.11 -0.20 4.88 0.99 -1.03 0.37 116.97 122.35 1d5r h TYR 177 Ca -0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1d5r h TYR 177 Cb 1.38 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 39.10 1d5r h TYR 177 CO 0.05 0.04 0.01 -0.92 -0.00 0.00 0.00 178.16 177.34 1d5r h TYR 178 N 0.17 0.37 -0.86 4.88 3.20 -1.38 -2.38 116.97 120.97 1d5r h TYR 178 Ca 0.13 -0.06 0.17 0.00 3.14 0.00 0.00 58.73 62.10 1d5r h TYR 178 Cb 0.12 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 1d5r h TYR 178 CO -0.16 0.52 0.56 1.03 -1.64 0.00 0.00 178.16 178.47 1d5r h SER 179 N 0.12 0.51 -0.27 -2.11 0.87 -1.12 -1.53 113.55 110.01 1d5r h SER 179 Ca 0.06 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1d5r h SER 179 Cb 0.36 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1d5r h SER 179 CO 0.01 0.24 0.11 0.22 -0.53 0.00 0.00 176.83 176.88 1d5r h TYR 180 N 0.53 0.42 -0.63 2.24 3.20 -0.43 -2.47 116.97 119.83 1d5r h TYR 180 Ca 0.44 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 1d5r h TYR 180 Cb 0.90 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1d5r h TYR 180 CO -0.00 0.43 0.25 -0.07 -1.64 0.00 0.00 178.16 177.13 1d5r h LEU 181 N 0.29 0.88 0.67 2.82 3.38 -0.91 -2.94 115.31 119.50 1d5r h LEU 181 Ca 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1d5r h LEU 181 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1d5r h LEU 181 CO -0.01 0.81 -0.36 -0.07 0.09 0.00 0.00 178.44 178.90 1d5r h LEU 182 N 0.89 -0.87 -1.42 1.67 3.38 -1.22 0.13 115.31 117.87 1d5r h LEU 182 Ca 0.21 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1d5r h LEU 182 Cb 0.21 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1d5r h LEU 182 CO -0.02 -0.58 0.51 0.07 0.09 0.00 0.00 178.44 178.52 1d5r h LYS 183 N -0.95 0.60 -0.00 1.13 2.10 -1.53 0.53 116.57 118.45 1d5r h LYS 183 Ca -0.09 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1d5r h LYS 183 Cb 0.74 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1d5r h LYS 183 CO 0.13 0.40 -0.22 0.09 -2.00 0.00 0.00 179.45 177.84 1d5r n ASN 184 N -4.51 0.63 -3.67 7.07 3.02 -1.11 -4.94 115.26 111.74 1d5r n ASN 184 Ca 0.14 -0.54 -0.23 0.00 -0.03 0.00 0.00 54.58 53.91 1d5r n ASN 184 Cb 0.40 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1d5r n ASN 184 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1d5r n HIS 185 N -0.98 -1.94 -4.16 3.10 8.25 0.25 -4.98 115.22 114.76 1d5r n HIS 185 Ca 0.12 0.75 -0.26 0.00 -0.26 0.00 0.00 57.72 58.06 1d5r n HIS 185 Cb 0.32 -4.10 -0.07 0.00 1.12 0.00 0.00 29.99 27.26 1d5r n HIS 185 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1d5r s LEU 186 N -6.52 3.53 -0.07 2.41 1.43 -0.11 -5.04 118.68 114.31 1d5r s LEU 186 Ca 0.15 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1d5r s LEU 186 Cb -0.04 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1d5r s LEU 186 CO 0.82 0.07 -0.12 -1.81 0.23 0.00 0.00 176.35 175.54 1d5r s ASP 187 N -3.08 4.17 0.71 2.29 -0.00 -1.26 -4.72 116.67 114.78 1d5r s ASP 187 Ca 0.29 -0.19 -0.15 0.00 -0.00 0.00 0.00 52.55 52.50 1d5r s ASP 187 Cb -0.09 -1.11 0.03 0.00 -0.00 0.00 0.00 42.92 41.74 1d5r s ASP 187 CO 0.21 0.30 1.18 -0.47 -0.00 0.00 0.00 175.17 176.40 1d5r s TYR 188 N -0.47 2.20 -0.26 4.23 5.04 -1.26 -5.04 117.35 121.78 1d5r s TYR 188 Ca 0.06 1.59 -0.14 0.00 -2.44 0.00 0.00 57.07 56.14 1d5r s TYR 188 Cb -0.12 -3.40 0.09 0.00 0.35 0.00 0.00 41.96 38.88 1d5r s TYR 188 CO 0.02 -2.37 0.63 1.03 -1.34 0.00 0.00 175.55 173.52 1d5r s ARG 189 N -3.92 0.62 0.10 4.97 0.52 -1.26 -5.13 118.95 114.86 1d5r s ARG 189 Ca 0.73 1.19 -0.32 0.00 -0.52 0.00 0.00 55.73 56.80 1d5r s ARG 189 Cb -0.27 0.24 -0.12 0.00 0.52 0.00 0.00 34.95 35.33 1d5r s ARG 189 CO 0.44 -0.16 1.79 -0.35 0.02 0.00 0.00 175.30 177.03 1d5r n PRO 190 N 4.54 2.58 -3.87 3.54 -0.04 -1.26 -4.80 135.00 135.69 1d5r n PRO 190 Ca -0.19 0.94 -0.36 0.00 -0.04 0.00 0.00 63.50 63.85 1d5r n PRO 190 Cb 0.56 -2.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.09 1d5r n PRO 190 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d5r s VAL 191 N 2.49 3.38 0.15 0.52 1.01 -1.26 -5.01 120.40 121.68 1d5r s VAL 191 Ca 0.83 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1d5r s VAL 191 Cb -0.55 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 1d5r s VAL 191 CO 0.39 0.17 0.82 0.00 0.00 0.00 0.00 175.10 176.48 1d5r s ALA 192 N 1.41 3.40 0.25 5.51 0.00 -1.26 -4.28 121.76 126.79 1d5r s ALA 192 Ca 0.02 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 1d5r s ALA 192 Cb -0.17 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1d5r s ALA 192 CO -0.01 0.20 0.24 -0.51 0.00 0.00 0.00 175.76 175.67 1d5r s LEU 193 N -0.81 1.21 -0.13 0.00 1.43 0.11 -3.62 118.68 116.88 1d5r s LEU 193 Ca 0.38 -1.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1d5r s LEU 193 Cb -0.23 0.66 -0.01 0.00 0.03 0.00 0.00 46.19 46.65 1d5r s LEU 193 CO 0.27 -0.97 -0.17 -0.76 0.23 0.00 0.00 176.35 174.94 1d5r s LEU 194 N -3.21 2.44 -0.40 1.79 1.43 -0.89 -0.85 118.68 118.99 1d5r s LEU 194 Ca 0.37 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 1d5r s LEU 194 Cb 0.04 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1d5r s LEU 194 CO 0.17 0.14 0.49 0.12 0.23 0.00 0.00 176.35 177.50 1d5r s PHE 195 N 0.46 3.15 -0.10 0.29 5.99 0.18 -2.72 117.98 125.23 1d5r s PHE 195 Ca -0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 56.93 56.53 1d5r s PHE 195 Cb -0.16 -2.97 -0.27 0.00 0.00 0.00 0.00 43.02 39.61 1d5r s PHE 195 CO 0.05 -0.68 0.46 0.45 -0.00 0.00 0.00 175.22 175.50 1d5r h HIS 196 N 8.69 0.51 -1.36 10.12 3.86 -1.58 0.16 115.15 135.54 1d5r h HIS 196 Ca -0.27 -0.37 0.35 0.00 -1.16 0.00 0.00 60.37 58.92 1d5r h HIS 196 Cb 1.11 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.44 1d5r h HIS 196 CO 0.67 1.71 0.88 -1.59 0.86 0.00 0.00 177.93 180.46 1d5r s LYS 197 N -2.54 0.29 0.05 2.45 -2.85 -1.24 -2.53 119.74 113.37 1d5r s LYS 197 Ca -0.21 -0.16 0.04 0.00 -1.00 0.00 0.00 55.97 54.64 1d5r s LYS 197 Cb 0.06 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1d5r s LYS 197 CO 0.78 -0.13 -0.11 -1.64 0.10 0.00 0.00 175.35 174.35 1d5r s MET 198 N -2.29 0.68 -0.05 1.78 -1.94 0.14 -1.76 119.30 115.86 1d5r s MET 198 Ca 0.15 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1d5r s MET 198 Cb 0.05 -0.58 0.02 0.00 2.01 0.00 0.00 34.83 36.33 1d5r s MET 198 CO -0.05 0.13 -0.07 1.41 -0.01 0.00 0.00 175.02 176.44 1d5r s MET 199 N -1.42 1.07 -0.00 2.03 1.75 -0.33 0.12 119.30 122.52 1d5r s MET 199 Ca -0.04 -0.19 -0.23 0.00 -1.25 0.00 0.00 55.69 53.98 1d5r s MET 199 Cb -0.09 -1.01 -0.05 0.00 2.84 0.00 0.00 34.83 36.52 1d5r s MET 199 CO 0.01 -0.06 0.68 -0.06 -0.65 0.00 0.00 175.02 174.94 1d5r s PHE 200 N 0.88 3.67 -0.04 4.11 0.40 0.73 -1.13 117.98 126.60 1d5r s PHE 200 Ca -0.12 1.30 -0.10 0.00 -0.60 0.00 0.00 56.93 57.42 1d5r s PHE 200 Cb -0.15 -2.73 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 1d5r s PHE 200 CO 0.01 0.26 0.45 1.49 0.70 0.00 0.00 175.22 178.13 1d5r h GLU 201 N 5.93 -0.33 0.00 0.44 4.57 -0.93 -3.04 114.58 121.23 1d5r h GLU 201 Ca -0.44 0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.43 1d5r h GLU 201 Cb 1.20 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1d5r h GLU 201 CO 0.72 -0.22 -0.14 0.25 -1.18 0.00 0.00 179.01 178.44 1d5r n THR 202 N -4.50 0.00 -3.71 0.32 -2.24 -1.15 -3.86 114.28 99.14 1d5r n THR 202 Ca -0.04 -1.28 -0.37 0.00 -2.27 0.00 0.00 64.05 60.08 1d5r n THR 202 Cb 0.14 -0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1d5r n THR 202 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1d5r s ILE 203 N -1.53 4.50 0.46 2.28 -1.09 -1.24 -4.78 121.20 119.80 1d5r s ILE 203 Ca 0.23 -0.22 -0.25 0.00 -2.23 0.00 0.00 60.65 58.18 1d5r s ILE 203 Cb -0.02 -3.17 -0.08 0.00 -1.58 0.00 0.00 42.46 37.61 1d5r s ILE 203 CO 0.15 0.24 1.38 -2.65 -1.23 0.00 0.00 174.94 172.82 1d5r n PRO 204 N 4.95 2.06 -3.60 2.79 -0.02 -1.26 -4.79 135.00 135.13 1d5r n PRO 204 Ca -0.15 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 1d5r n PRO 204 Cb 0.51 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1d5r n PRO 204 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1d5r s MET 205 N -2.48 2.83 0.00 -0.52 -1.94 -0.13 -3.30 119.30 113.76 1d5r s MET 205 Ca 0.63 -2.44 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 1d5r s MET 205 Cb -0.46 -3.93 0.00 0.00 2.01 0.00 0.00 34.83 32.45 1d5r s MET 205 CO 0.56 -1.21 0.00 1.19 -0.01 0.00 0.00 175.02 175.55 1d5r n PHE 206 N 3.75 0.00 -3.27 -0.03 3.01 -0.41 -4.47 117.46 116.04 1d5r n PHE 206 Ca 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.50 1d5r n PHE 206 Cb 0.41 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.82 1d5r n PHE 206 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1d5r s SER 207 N -1.51 -0.41 -1.23 4.37 0.15 0.15 -4.96 113.70 110.25 1d5r s SER 207 Ca 0.00 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.95 1d5r s SER 207 Cb 0.00 1.53 -0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1d5r s SER 207 CO 0.00 -0.29 0.67 0.61 1.20 0.00 0.00 173.24 175.43 1d5r n GLY 208 N 5.39 -0.71 4.05 9.45 0.00 -1.26 -1.67 105.19 120.45 1d5r n GLY 208 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1d5r n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5r n GLY 209 N -1.79 2.55 0.00 -0.02 0.00 -1.26 -4.92 105.19 99.75 1d5r n GLY 209 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1d5r n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d5r n THR 210 N -1.87 0.00 -4.03 2.61 -2.24 -0.67 -4.38 114.28 103.71 1d5r n THR 210 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1d5r n THR 210 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1d5r n THR 210 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d5r n ASN 212 N -0.31 3.16 -4.69 0.00 3.02 -1.26 -5.01 115.26 110.16 1d5r n ASN 212 Ca -0.03 -3.31 -0.38 0.00 -0.03 0.00 0.00 54.58 50.84 1d5r n ASN 212 Cb 0.63 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 1d5r n ASN 212 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1d5r n PRO 213 N 1.06 1.23 -3.72 3.52 -0.04 -1.26 -1.07 135.00 134.73 1d5r n PRO 213 Ca 0.28 0.47 -0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1d5r n PRO 213 Cb 0.42 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.37 1d5r n PRO 213 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1d5r s GLN 214 N -3.00 0.58 0.08 0.54 -0.44 -0.10 0.61 119.66 117.93 1d5r s GLN 214 Ca 0.77 0.39 -0.02 0.00 -2.50 0.00 0.00 55.36 54.00 1d5r s GLN 214 Cb -0.41 0.28 -0.03 0.00 -1.64 0.00 0.00 33.01 31.20 1d5r s GLN 214 CO 0.45 -0.11 0.03 -0.59 0.50 0.00 0.00 175.29 175.57 1d5r s PHE 215 N -0.24 0.54 -0.01 1.67 -0.12 -1.26 0.45 117.98 119.00 1d5r s PHE 215 Ca -0.04 -1.03 0.04 0.00 -0.05 0.00 0.00 56.93 55.85 1d5r s PHE 215 Cb -0.03 -0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 1d5r s PHE 215 CO 0.02 -0.44 -0.13 0.08 -0.05 0.00 0.00 175.22 174.70 1d5r s VAL 216 N -3.94 1.03 -0.14 -2.49 1.01 -0.60 -1.63 120.40 113.63 1d5r s VAL 216 Ca 0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1d5r s VAL 216 Cb 0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1d5r s VAL 216 CO -0.07 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 1d5r s VAL 217 N -0.21 2.96 0.09 2.92 1.01 0.11 -2.45 120.40 124.83 1d5r s VAL 217 Ca 0.03 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1d5r s VAL 217 Cb -0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1d5r s VAL 217 CO -0.00 0.51 -0.24 0.00 0.00 0.00 0.00 175.10 175.37 1d5r s GLN 219 N -1.73 2.31 6.78 0.00 0.74 0.32 -0.81 119.66 127.27 1d5r s GLN 219 Ca 0.10 -1.33 0.00 0.00 0.05 0.00 0.00 55.36 54.19 1d5r s GLN 219 Cb -0.10 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.98 1d5r s GLN 219 CO 0.04 -0.60 0.00 1.28 -0.55 0.00 0.00 175.29 175.46 1d5r n LEU 220 N 4.51 0.00 -0.96 3.68 4.77 -1.17 -1.55 117.00 126.28 1d5r n LEU 220 Ca -0.13 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1d5r n LEU 220 Cb 0.43 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.72 1d5r n LEU 220 CO 0.23 0.00 0.65 0.29 -1.33 0.00 0.00 177.39 177.24 1d5r n LYS 221 N 13.86 2.39 -3.88 3.23 5.02 -1.26 -4.85 118.16 132.67 1d5r n LYS 221 Ca 0.00 -1.67 -0.36 0.00 -2.02 0.00 0.00 58.31 54.26 1d5r n LYS 221 Cb 0.00 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 1d5r n LYS 221 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1d5r s VAL 222 N -1.59 4.11 -0.49 -0.18 1.01 -0.60 -5.05 120.40 117.60 1d5r s VAL 222 Ca 0.30 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1d5r s VAL 222 Cb 0.18 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1d5r s VAL 222 CO 0.17 0.38 1.12 -1.59 0.00 0.00 0.00 175.10 175.19 1d5r s LYS 223 N 1.34 3.66 0.14 2.72 -2.85 -1.26 -0.52 119.74 122.98 1d5r s LYS 223 Ca 0.05 0.46 0.24 0.00 -1.00 0.00 0.00 55.97 55.71 1d5r s LYS 223 Cb -0.15 -3.93 0.26 0.00 -2.06 0.00 0.00 37.83 31.95 1d5r s LYS 223 CO 0.02 -1.42 1.25 -0.84 0.10 0.00 0.00 175.35 174.46 1d5r h ILE 224 N 6.21 0.00 -2.38 3.79 3.07 -1.24 -3.48 117.51 123.48 1d5r h ILE 224 Ca -0.23 -0.61 -0.08 0.00 1.55 0.00 0.00 64.86 65.49 1d5r h ILE 224 Cb 1.06 1.17 -0.23 0.00 -0.27 0.00 0.00 36.82 38.55 1d5r h ILE 224 CO 1.13 0.00 -0.06 -0.47 -1.05 0.00 0.00 178.15 177.70 1d5r s TYR 225 N -3.21 -0.62 -0.06 0.16 5.04 -0.91 -4.97 117.35 112.77 1d5r s TYR 225 Ca 0.05 1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 56.16 1d5r s TYR 225 Cb 0.12 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.68 1d5r s TYR 225 CO 0.74 -0.30 0.02 0.45 -1.34 0.00 0.00 175.55 175.12 1d5r s SER 226 N 0.31 1.49 0.37 4.32 0.15 -1.26 0.07 113.70 119.14 1d5r s SER 226 Ca -0.00 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 1d5r s SER 226 Cb -0.04 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1d5r s SER 226 CO 0.01 -0.21 0.61 -0.94 1.20 0.00 0.00 173.24 173.90 1d5r s SER 227 N 2.02 6.32 0.84 5.45 1.04 -0.64 -5.04 113.70 123.68 1d5r s SER 227 Ca 0.05 0.61 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 1d5r s SER 227 Cb -0.12 -2.10 0.10 0.00 0.10 0.00 0.00 66.02 63.99 1d5r s SER 227 CO -0.05 -0.34 1.19 0.54 0.98 0.00 0.00 173.24 175.56 1d5r s ASN 228 N -3.89 4.24 0.35 7.02 4.22 -1.26 -4.55 114.94 121.07 1d5r s ASN 228 Ca 0.42 0.75 -0.28 0.00 -2.14 0.00 0.00 52.86 51.62 1d5r s ASN 228 Cb -0.10 -1.21 -0.09 0.00 1.28 0.00 0.00 41.25 41.13 1d5r s ASN 228 CO 0.37 -2.07 1.21 -0.55 -2.04 0.00 0.00 177.10 174.02 1d5r s SER 229 N -4.54 6.79 0.00 3.54 0.15 -1.26 -4.70 113.70 113.67 1d5r s SER 229 Ca 0.63 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.76 1d5r s SER 229 Cb -0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1d5r s SER 229 CO 0.50 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1d5r n GLY 230 N 0.83 -1.30 3.80 9.45 0.00 0.20 -5.00 105.19 113.17 1d5r n GLY 230 Ca 0.01 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1d5r n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d5r s PRO 231 N -3.75 3.21 0.44 1.61 0.04 -1.26 -4.92 135.00 130.37 1d5r s PRO 231 Ca 0.00 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.48 1d5r s PRO 231 Cb 0.00 -2.02 0.99 0.00 0.04 0.00 0.00 34.50 33.51 1d5r s PRO 231 CO 0.00 -0.90 1.87 1.79 0.04 0.00 0.00 177.00 179.80 1d5r h THR 232 N 0.30 0.74 -2.22 1.26 1.35 -1.65 -3.43 112.91 109.27 1d5r h THR 232 Ca -0.47 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.30 1d5r h THR 232 Cb 1.22 1.67 -0.23 0.00 -1.73 0.00 0.00 68.15 69.09 1d5r h THR 232 CO 0.57 0.25 -0.14 -0.60 -0.25 0.00 0.00 175.52 175.35 1d5r s ARG 233 N -3.87 0.56 -0.22 4.72 3.52 -1.17 -5.01 118.95 117.48 1d5r s ARG 233 Ca -0.01 1.15 -0.08 0.00 -0.13 0.00 0.00 55.73 56.66 1d5r s ARG 233 Cb 0.12 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 1d5r s ARG 233 CO 0.65 -0.17 0.08 0.50 -0.81 0.00 0.00 175.30 175.54 1d5r s ARG 234 N 1.96 3.83 -0.46 5.12 6.06 -1.26 -1.08 118.95 133.13 1d5r s ARG 234 Ca -0.08 -0.40 0.08 0.00 -2.50 0.00 0.00 55.73 52.83 1d5r s ARG 234 Cb -0.08 -3.30 0.27 0.00 0.06 0.00 0.00 34.95 31.90 1d5r s ARG 234 CO -0.17 0.04 0.62 -1.91 -2.50 0.00 0.00 175.30 171.38 1d5r n GLU 235 N 4.27 1.32 -1.13 5.12 2.13 0.18 -5.02 120.64 127.50 1d5r n GLU 235 Ca -0.16 -3.68 0.00 0.00 0.66 0.00 0.00 57.16 53.98 1d5r n GLU 235 Cb 0.52 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1d5r n GLU 235 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1d5r n ASP 236 N 1.06 -1.17 0.00 4.31 2.03 -1.26 -1.96 116.55 119.56 1d5r n ASP 236 Ca 0.24 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1d5r n ASP 236 Cb 0.51 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1d5r n ASP 236 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1d5r n LYS 237 N 1.74 0.00 -4.80 -0.67 5.02 -1.26 -4.95 118.16 113.24 1d5r n LYS 237 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1d5r n LYS 237 Cb 0.00 -1.01 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 1d5r n LYS 237 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1d5r s PHE 238 N -0.61 2.78 -0.01 2.13 0.08 -0.83 -2.95 117.98 118.57 1d5r s PHE 238 Ca 0.00 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.99 1d5r s PHE 238 Cb 0.00 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1d5r s PHE 238 CO 0.00 0.24 -0.12 -1.64 -0.10 0.00 0.00 175.22 173.60 1d5r s MET 239 N -0.77 1.04 0.08 0.44 -1.94 -1.15 -0.65 119.30 116.35 1d5r s MET 239 Ca 0.12 -0.43 0.09 0.00 -1.71 0.00 0.00 55.69 53.76 1d5r s MET 239 Cb -0.11 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 1d5r s MET 239 CO 0.01 0.25 -0.25 0.71 -0.01 0.00 0.00 175.02 175.73 1d5r s TYR 240 N -0.21 2.15 -0.30 -0.03 1.51 -0.24 -0.19 117.35 120.03 1d5r s TYR 240 Ca 0.03 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1d5r s TYR 240 Cb -0.06 -1.23 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 1d5r s TYR 240 CO -0.00 0.19 0.10 -0.06 -1.11 0.00 0.00 175.55 174.66 1d5r s PHE 241 N -0.92 1.52 -0.15 2.71 0.40 0.12 -1.55 117.98 120.12 1d5r s PHE 241 Ca 0.11 -1.59 -0.03 0.00 -0.60 0.00 0.00 56.93 54.81 1d5r s PHE 241 Cb -0.10 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1d5r s PHE 241 CO 0.03 -0.86 -0.04 -1.21 0.70 0.00 0.00 175.22 173.85 1d5r s GLU 242 N 1.68 3.59 0.34 0.44 2.02 -1.26 0.25 118.70 125.75 1d5r s GLU 242 Ca 0.09 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 1d5r s GLU 242 Cb -0.17 -2.88 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 1d5r s GLU 242 CO -0.25 0.29 1.18 -0.06 0.02 0.00 0.00 175.26 176.43 1d5r s PHE 243 N 0.24 3.25 0.19 1.61 0.08 -1.05 -4.93 117.98 117.37 1d5r s PHE 243 Ca -0.03 1.57 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 1d5r s PHE 243 Cb -0.14 -3.43 0.18 0.00 -0.57 0.00 0.00 43.02 39.06 1d5r s PHE 243 CO 0.03 -1.18 1.81 -1.35 -0.10 0.00 0.00 175.22 174.43 1d5r h PRO 244 N 3.27 0.63 -5.71 0.24 0.11 -1.97 -3.41 132.00 125.17 1d5r h PRO 244 Ca -0.48 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.06 1d5r h PRO 244 Cb 1.22 -0.14 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 1d5r h PRO 244 CO 0.65 0.41 -0.82 -0.65 -0.21 0.00 0.00 178.00 177.38 1d5r s GLN 245 N -6.12 1.26 0.05 1.05 1.11 -1.26 -5.08 119.66 110.66 1d5r s GLN 245 Ca -0.13 -0.77 -0.36 0.00 0.01 0.00 0.00 55.36 54.11 1d5r s GLN 245 Cb 0.15 -1.29 -0.15 0.00 -1.01 0.00 0.00 33.01 30.71 1d5r s GLN 245 CO 0.75 0.34 1.53 -2.30 0.01 0.00 0.00 175.29 175.61 1d5r n PRO 246 N 2.15 1.60 -2.84 2.91 -0.02 -1.26 -4.89 135.00 132.65 1d5r n PRO 246 Ca -0.16 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1d5r n PRO 246 Cb 0.54 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1d5r n PRO 246 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d5r s LEU 247 N 1.39 4.03 0.17 2.45 0.20 0.04 -4.77 118.68 122.19 1d5r s LEU 247 Ca 0.85 0.67 -0.31 0.00 0.69 0.00 0.00 54.13 56.03 1d5r s LEU 247 Cb -0.85 -3.23 -0.09 0.00 -0.43 0.00 0.00 46.19 41.59 1d5r s LEU 247 CO 0.47 -0.77 1.49 -2.16 -0.29 0.00 0.00 176.35 175.08 1d5r s PRO 248 N 3.30 4.26 0.00 0.98 0.04 -1.26 0.50 135.00 142.82 1d5r s PRO 248 Ca 0.37 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 1d5r s PRO 248 Cb -0.13 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1d5r s PRO 248 CO 0.16 -0.52 0.02 0.54 0.04 0.00 0.00 177.00 177.24 1d5r s VAL 249 N 0.90 0.05 -0.27 -0.36 0.11 -0.03 -4.90 120.40 115.91 1d5r s VAL 249 Ca 0.66 -0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 1d5r s VAL 249 Cb -0.41 -0.18 0.08 0.00 -1.53 0.00 0.00 36.38 34.34 1d5r s VAL 249 CO 0.33 -0.25 0.67 0.00 -3.33 0.00 0.00 175.10 172.53 1d5r n GLY 251 N 4.26 0.75 3.67 0.00 0.00 -1.26 -4.87 105.19 107.73 1d5r n GLY 251 Ca -0.20 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1d5r n GLY 251 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5r s ASP 252 N -4.00 6.80 0.02 1.61 1.01 -1.26 -1.02 116.67 119.83 1d5r s ASP 252 Ca 0.00 0.98 0.05 0.00 0.71 0.00 0.00 52.55 54.29 1d5r s ASP 252 Cb 0.00 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1d5r s ASP 252 CO 0.00 -0.32 -0.15 -0.51 0.21 0.00 0.00 175.17 174.40 1d5r s ILE 253 N 1.97 1.21 -0.04 0.77 2.07 0.11 -3.03 121.20 124.27 1d5r s ILE 253 Ca 0.33 -0.92 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1d5r s ILE 253 Cb -0.16 -1.07 -0.02 0.00 0.13 0.00 0.00 42.46 41.34 1d5r s ILE 253 CO 0.11 0.14 -0.20 -0.75 -1.91 0.00 0.00 174.94 172.33 1d5r s LYS 254 N -0.90 2.34 -0.08 3.50 2.20 0.01 -1.01 119.74 125.80 1d5r s LYS 254 Ca 0.04 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1d5r s LYS 254 Cb -0.07 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1d5r s LYS 254 CO 0.01 0.59 -0.09 0.08 -0.36 0.00 0.00 175.35 175.57 1d5r s VAL 255 N -0.66 1.00 -0.08 4.02 1.01 -0.50 -1.00 120.40 124.20 1d5r s VAL 255 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1d5r s VAL 255 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1d5r s VAL 255 CO -0.00 0.34 -0.11 -0.70 0.00 0.00 0.00 175.10 174.63 1d5r s GLU 256 N 1.14 1.65 0.02 2.72 2.12 -1.02 -1.05 118.70 124.27 1d5r s GLU 256 Ca -0.06 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1d5r s GLU 256 Cb -0.14 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 1d5r s GLU 256 CO -0.02 -0.06 0.07 -0.06 -0.54 0.00 0.00 175.26 174.65 1d5r s PHE 257 N 0.98 3.22 0.15 5.30 0.40 -0.22 -1.56 117.98 126.25 1d5r s PHE 257 Ca -0.09 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1d5r s PHE 257 Cb -0.15 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1d5r s PHE 257 CO -0.00 0.53 -0.05 -0.06 0.70 0.00 0.00 175.22 176.34 1d5r s PHE 258 N -1.24 1.17 -0.22 0.36 0.40 0.17 -1.01 117.98 117.61 1d5r s PHE 258 Ca 0.24 -0.91 -0.05 0.00 -0.60 0.00 0.00 56.93 55.61 1d5r s PHE 258 Cb -0.12 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1d5r s PHE 258 CO 0.16 -0.10 0.00 -1.58 0.70 0.00 0.00 175.22 174.40 1d5r s HIS 259 N -3.53 3.02 -0.53 0.36 5.65 0.19 -0.92 115.29 119.52 1d5r s HIS 259 Ca 0.19 -0.59 -0.26 0.00 0.25 0.00 0.00 55.06 54.66 1d5r s HIS 259 Cb 0.05 -2.12 0.03 0.00 -1.18 0.00 0.00 32.58 29.36 1d5r s HIS 259 CO 0.01 -0.35 1.00 0.15 -0.65 0.00 0.00 174.74 174.90 1d5r s LYS 260 N 1.27 3.45 -0.10 2.88 -0.14 -0.23 -1.34 119.74 125.53 1d5r s LYS 260 Ca 0.04 0.01 -0.18 0.00 -1.36 0.00 0.00 55.97 54.48 1d5r s LYS 260 Cb -0.15 -4.00 -0.04 0.00 -1.68 0.00 0.00 37.83 31.96 1d5r s LYS 260 CO 0.01 -1.45 0.48 -1.14 -0.76 0.00 0.00 175.35 172.49 1d5r s GLN 261 N 4.15 4.30 0.22 1.68 2.00 -1.26 -4.60 119.66 126.16 1d5r s GLN 261 Ca 0.36 0.47 -0.31 0.00 -2.00 0.00 0.00 55.36 53.88 1d5r s GLN 261 Cb -0.10 -3.41 -0.15 0.00 0.80 0.00 0.00 33.01 30.15 1d5r s GLN 261 CO 0.23 0.22 1.09 0.27 -0.50 0.00 0.00 175.29 176.60 1d5r n ASN 262 N 3.44 1.28 -3.42 6.67 0.23 -1.26 -2.81 115.26 119.40 1d5r n ASN 262 Ca -0.08 1.16 -0.25 0.00 -0.53 0.00 0.00 54.58 54.88 1d5r n ASN 262 Cb 0.52 -1.24 0.01 0.00 -2.08 0.00 0.00 39.78 36.98 1d5r n ASN 262 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1d5r n LYS 263 N 1.36 -3.98 -3.67 -3.83 4.76 -1.26 -4.97 118.16 106.58 1d5r n LYS 263 Ca 0.13 0.57 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 1d5r n LYS 263 Cb 0.28 -5.33 -0.10 0.00 -1.84 0.00 0.00 35.03 28.03 1d5r n LYS 263 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1d5r s MET 264 N -6.08 0.33 0.09 1.97 -1.94 -1.12 -5.08 119.30 107.47 1d5r s MET 264 Ca 0.44 0.97 -0.33 0.00 -1.71 0.00 0.00 55.69 55.06 1d5r s MET 264 Cb -0.22 0.24 -0.14 0.00 2.01 0.00 0.00 34.83 36.71 1d5r s MET 264 CO 0.54 -0.23 1.52 -0.07 -0.01 0.00 0.00 175.02 176.76 1d5r h LEU 265 N 7.95 -1.46 -9.62 -0.03 3.38 -1.93 -3.42 115.31 110.18 1d5r h LEU 265 Ca -0.20 0.15 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1d5r h LEU 265 Cb 1.13 0.53 0.05 0.00 0.09 0.00 0.00 40.66 42.45 1d5r h LEU 265 CO 0.16 -0.55 1.00 -1.59 0.09 0.00 0.00 178.44 177.55 1d5r s LYS 266 N -5.60 4.15 0.31 1.13 0.00 -1.26 -4.99 119.74 113.47 1d5r s LYS 266 Ca -0.16 2.55 0.04 0.00 0.00 0.00 0.00 55.97 58.40 1d5r s LYS 266 Cb 0.05 -3.19 -0.02 0.00 0.00 0.00 0.00 37.83 34.67 1d5r s LYS 266 CO 0.57 -0.74 0.46 -1.59 0.00 0.00 0.00 175.35 174.05 1d5r s LYS 267 N 1.47 3.35 -0.11 1.78 -2.85 -1.26 -4.69 119.74 117.44 1d5r s LYS 267 Ca 0.75 -0.67 -0.18 0.00 -1.00 0.00 0.00 55.97 54.86 1d5r s LYS 267 Cb -0.48 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.46 1d5r s LYS 267 CO 0.33 0.22 0.47 -0.51 0.10 0.00 0.00 175.35 175.96 1d5r s ASP 268 N -4.05 6.69 0.00 0.03 1.01 -0.45 -4.88 116.67 115.02 1d5r s ASP 268 Ca 0.39 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.17 1d5r s ASP 268 Cb -0.09 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1d5r s ASP 268 CO 0.32 0.03 1.28 -0.54 0.21 0.00 0.00 175.17 176.47 1d5r s LYS 269 N 0.49 4.34 -0.09 8.23 1.02 -1.26 0.54 119.74 133.02 1d5r s LYS 269 Ca 0.26 1.82 -0.07 0.00 0.02 0.00 0.00 55.97 58.00 1d5r s LYS 269 Cb -0.15 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1d5r s LYS 269 CO 0.10 -0.45 -0.13 -1.33 -0.92 0.00 0.00 175.35 172.63 1d5r n MET 270 N 4.88 0.28 -3.83 1.68 2.81 -0.18 -4.86 117.12 117.89 1d5r n MET 270 Ca 0.11 0.33 -0.03 0.00 -1.81 0.00 0.00 57.70 56.31 1d5r n MET 270 Cb 0.45 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.74 1d5r n MET 270 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1d5r s PHE 271 N -1.83 0.01 0.20 2.03 -0.12 -1.18 -4.39 117.98 112.68 1d5r s PHE 271 Ca -0.11 -0.34 -0.22 0.00 -0.05 0.00 0.00 56.93 56.21 1d5r s PHE 271 Cb 0.02 0.67 0.05 0.00 -0.63 0.00 0.00 43.02 43.12 1d5r s PHE 271 CO 0.16 -0.81 0.62 -3.38 -0.05 0.00 0.00 175.22 171.76 1d5r s HIS 272 N -2.49 -0.40 -0.14 3.49 -3.43 -1.26 -1.05 115.29 110.00 1d5r s HIS 272 Ca 0.19 0.11 -0.29 0.00 -0.80 0.00 0.00 55.06 54.28 1d5r s HIS 272 Cb -0.02 0.58 0.07 0.00 -1.43 0.00 0.00 32.58 31.79 1d5r s HIS 272 CO 0.03 -0.96 0.71 -0.59 -2.00 0.00 0.00 174.74 171.93 1d5r s PHE 273 N -3.81 -0.70 -0.02 0.38 -0.12 -0.22 -1.39 117.98 112.11 1d5r s PHE 273 Ca 0.04 1.43 0.02 0.00 -0.05 0.00 0.00 56.93 58.37 1d5r s PHE 273 Cb -0.02 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 1d5r s PHE 273 CO -0.07 -0.51 -0.04 -1.58 -0.05 0.00 0.00 175.22 172.97 1d5r s TRP 274 N -0.56 2.97 0.09 3.49 0.52 -1.26 -1.41 118.94 122.78 1d5r s TRP 274 Ca -0.06 0.03 -0.08 0.00 0.02 0.00 0.00 56.10 56.00 1d5r s TRP 274 Cb -0.02 -1.66 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 1d5r s TRP 274 CO 0.06 0.40 0.18 0.08 0.02 0.00 0.00 176.95 177.69 1d5r s VAL 275 N -0.97 0.15 -0.11 4.03 1.01 -0.18 -4.91 120.40 119.42 1d5r s VAL 275 Ca 0.16 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1d5r s VAL 275 Cb -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1d5r s VAL 275 CO 0.06 -0.66 -0.22 0.21 0.00 0.00 0.00 175.10 174.49 1d5r s ASN 276 N -2.85 3.01 0.58 3.32 3.84 -1.26 0.10 114.94 121.67 1d5r s ASN 276 Ca 0.05 -0.56 0.28 0.00 0.21 0.00 0.00 52.86 52.84 1d5r s ASN 276 Cb 0.05 -1.38 1.51 0.00 -0.55 0.00 0.00 41.25 40.88 1d5r s ASN 276 CO -0.11 0.12 1.97 0.71 -2.79 0.00 0.00 177.10 177.01 1d5r h THR 277 N 5.77 0.48 -0.97 -5.21 1.35 -1.37 -2.64 112.91 110.31 1d5r h THR 277 Ca -0.24 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1d5r h THR 277 Cb 1.22 0.70 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 1d5r h THR 277 CO 0.50 0.00 0.64 0.15 -0.25 0.00 0.00 175.52 176.56 1d5r h PHE 278 N 0.00 1.20 -0.09 4.73 3.57 -1.84 -2.87 116.94 121.64 1d5r h PHE 278 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1d5r h PHE 278 Cb 0.97 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1d5r h PHE 278 CO 0.00 0.74 0.00 1.19 -2.23 0.00 0.00 178.31 178.01 1d5r n PHE 279 N -4.41 0.12 -0.03 0.41 3.01 -1.00 -4.16 117.46 111.40 1d5r n PHE 279 Ca 0.12 -0.06 -0.15 0.00 1.01 0.00 0.00 57.45 58.37 1d5r n PHE 279 Cb 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.39 1d5r n PHE 279 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1d5r h ILE 280 N 1.67 1.67 -1.72 4.37 5.03 -1.64 -3.51 117.51 123.38 1d5r h ILE 280 Ca 0.00 -2.26 -0.63 0.00 -0.12 0.00 0.00 64.86 61.85 1d5r h ILE 280 Cb 0.36 3.17 0.00 0.00 -3.03 0.00 0.00 36.82 37.33 1d5r h ILE 280 CO 0.00 0.60 1.26 -2.65 -0.68 0.00 0.00 178.15 176.69 1d5r n PRO 281 N -4.50 1.77 0.00 2.37 -0.02 -1.26 -4.92 135.00 128.44 1d5r n PRO 281 Ca -0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1d5r n PRO 281 Cb 0.55 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1d5r n PRO 281 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1d5r n LYS 313 N 7.47 0.50 0.00 -0.52 5.02 -1.26 -5.12 118.16 124.24 1d5r n LYS 313 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1d5r n LYS 313 Cb 0.30 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1d5r n LYS 313 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1d5r n GLU 314 N 0.37 0.00 -2.68 1.97 0.28 -1.26 -5.14 120.64 114.18 1d5r n GLU 314 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1d5r n GLU 314 Cb 0.15 -0.23 0.03 0.00 1.43 0.00 0.00 31.44 32.83 1d5r n GLU 314 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1d5r s TYR 315 N -1.48 2.99 0.00 -1.84 -0.85 -1.26 -5.00 117.35 109.91 1d5r s TYR 315 Ca 0.00 0.14 -0.26 0.00 -0.52 0.00 0.00 57.07 56.43 1d5r s TYR 315 Cb 0.00 -2.67 -0.04 0.00 0.38 0.00 0.00 41.96 39.63 1d5r s TYR 315 CO 0.00 -0.77 0.80 -0.51 -1.52 0.00 0.00 175.55 173.55 1d5r s LEU 316 N -4.76 4.39 -0.05 -3.49 1.02 0.27 -4.87 118.68 111.19 1d5r s LEU 316 Ca 0.55 1.43 0.05 0.00 0.02 0.00 0.00 54.13 56.18 1d5r s LEU 316 Cb -0.10 -3.27 -0.02 0.00 0.02 0.00 0.00 46.19 42.81 1d5r s LEU 316 CO 0.39 -0.09 -0.20 -0.69 0.02 0.00 0.00 176.35 175.78 1d5r s VAL 317 N 0.44 2.53 -0.12 -1.59 1.01 -1.26 -0.63 120.40 120.78 1d5r s VAL 317 Ca 0.41 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1d5r s VAL 317 Cb -0.20 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1d5r s VAL 317 CO 0.23 0.58 -0.13 -0.22 0.00 0.00 0.00 175.10 175.56 1d5r s LEU 318 N -0.47 1.57 -0.18 3.92 1.98 -0.33 -4.97 118.68 120.20 1d5r s LEU 318 Ca 0.06 -0.41 -0.04 0.00 -2.89 0.00 0.00 54.13 50.85 1d5r s LEU 318 Cb -0.12 -1.04 -0.02 0.00 0.66 0.00 0.00 46.19 45.67 1d5r s LEU 318 CO 0.01 -0.04 -0.04 0.42 -1.89 0.00 0.00 176.35 174.81 1d5r s THR 319 N 1.34 3.74 -0.21 3.68 -4.23 -1.26 0.26 115.64 118.96 1d5r s THR 319 Ca 0.00 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1d5r s THR 319 Cb -0.14 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 1d5r s THR 319 CO -0.06 0.47 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.69 1d5r s LEU 320 N 0.71 2.97 0.66 4.79 1.43 -0.19 -4.98 118.68 124.08 1d5r s LEU 320 Ca -0.02 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1d5r s LEU 320 Cb -0.14 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1d5r s LEU 320 CO 0.02 0.01 0.98 0.42 0.23 0.00 0.00 176.35 178.01 1d5r s THR 321 N 1.32 2.93 0.32 5.49 -4.23 -1.26 -1.19 115.64 119.02 1d5r s THR 321 Ca 0.04 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 1d5r s THR 321 Cb -0.14 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.78 1d5r s THR 321 CO -0.01 -0.25 1.80 0.50 -0.54 0.00 0.00 174.62 176.12 1d5r h LYS 322 N -0.46 0.70 0.00 3.99 3.64 -1.83 0.69 116.57 123.31 1d5r h LYS 322 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1d5r h LYS 322 Cb 1.29 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1d5r h LYS 322 CO 0.61 0.46 -0.10 -0.91 -2.27 0.00 0.00 179.45 177.24 1d5r h ASN 323 N 0.72 0.00 0.05 4.20 4.21 -1.90 -2.09 115.58 120.76 1d5r h ASN 323 Ca 0.55 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.06 1d5r h ASN 323 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1d5r h ASN 323 CO -0.33 0.10 -0.03 0.47 -1.29 0.00 0.00 177.43 176.35 1d5r n ASP 324 N -3.42 0.99 -4.69 5.81 8.00 0.24 -4.81 116.55 118.68 1d5r n ASP 324 Ca -0.01 -1.23 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 1d5r n ASP 324 Cb 0.26 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 1d5r n ASP 324 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d5r s LEU 325 N -2.09 3.89 0.25 0.64 1.43 -0.80 -4.70 118.68 117.31 1d5r s LEU 325 Ca 0.38 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1d5r s LEU 325 Cb 0.21 -1.96 0.45 0.00 0.03 0.00 0.00 46.19 44.92 1d5r s LEU 325 CO 0.37 0.25 1.62 0.44 0.23 0.00 0.00 176.35 179.26 1d5r h ASP 326 N 6.11 -0.46 0.00 2.29 3.45 -1.54 -1.89 116.42 124.38 1d5r h ASP 326 Ca -0.43 0.22 -0.27 0.00 0.43 0.00 0.00 57.03 56.98 1d5r h ASP 326 Cb 1.18 0.40 -0.05 0.00 -0.56 0.00 0.00 39.33 40.30 1d5r h ASP 326 CO 0.66 -0.22 -2.02 1.17 -1.57 0.00 0.00 179.24 177.26 1d5r n LYS 327 N -5.40 1.35 -0.02 3.56 4.81 -1.26 -4.56 118.16 116.63 1d5r n LYS 327 Ca 0.14 0.02 0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1d5r n LYS 327 Cb 0.49 -1.38 0.33 0.00 0.02 0.00 0.00 35.03 34.50 1d5r n LYS 327 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d5r h ALA 328 N 0.55 1.49 -0.09 3.14 0.00 -1.76 -2.20 119.26 120.39 1d5r h ALA 328 Ca -0.40 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1d5r h ALA 328 Cb 1.84 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1d5r h ALA 328 CO 0.00 0.39 0.20 -2.95 0.00 0.00 0.00 179.25 176.89 1d5r h ASN 329 N 0.58 0.00 0.29 0.00 7.08 -1.25 -0.78 115.58 121.49 1d5r h ASN 329 Ca 0.14 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.36 1d5r h ASN 329 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.39 1d5r h ASN 329 CO -0.01 0.00 -0.06 0.29 -2.08 0.00 0.00 177.43 175.57 1d5r n LYS 330 N -3.34 0.80 -1.69 4.14 4.76 -0.83 -4.41 118.16 117.60 1d5r n LYS 330 Ca -0.00 -0.21 -0.36 0.00 -2.87 0.00 0.00 58.31 54.87 1d5r n LYS 330 Cb 0.29 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 1d5r n LYS 330 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1d5r n ASP 331 N -0.92 7.76 -0.33 4.39 2.03 -0.30 -4.71 116.55 124.46 1d5r n ASP 331 Ca 0.17 -2.98 0.11 0.00 0.52 0.00 0.00 54.79 52.61 1d5r n ASP 331 Cb 0.24 -1.39 0.31 0.00 -0.72 0.00 0.00 41.12 39.57 1d5r n ASP 331 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1d5r h LYS 332 N 4.31 0.80 -0.40 -0.67 1.79 -1.84 0.89 116.57 121.44 1d5r h LYS 332 Ca 0.66 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1d5r h LYS 332 Cb 0.45 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1d5r h LYS 332 CO 1.36 0.53 0.00 0.00 -1.08 0.00 0.00 179.45 180.25 1d5r n ALA 333 N -2.37 2.13 -3.96 3.86 0.00 -1.26 -4.84 120.51 114.07 1d5r n ALA 333 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1d5r n ALA 333 Cb 0.47 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1d5r n ALA 333 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1d5r n ASN 334 N -0.14 0.65 -0.06 0.00 3.02 0.31 -4.83 115.26 114.21 1d5r n ASN 334 Ca 0.00 -1.03 -0.05 0.00 -0.03 0.00 0.00 54.58 53.48 1d5r n ASN 334 Cb 0.10 -1.28 -0.15 0.00 -0.61 0.00 0.00 39.78 37.84 1d5r n ASN 334 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1d5r n ARG 335 N -3.85 0.67 -0.05 3.52 1.74 -1.26 -4.55 116.66 112.87 1d5r n ARG 335 Ca -0.25 -0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.80 1d5r n ARG 335 Cb 0.55 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 1d5r n ARG 335 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1d5r n TYR 336 N -2.68 0.00 -3.87 -1.55 4.02 -1.26 -4.66 117.16 107.16 1d5r n TYR 336 Ca -0.24 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.52 1d5r n TYR 336 Cb 1.00 -0.63 -0.15 0.00 -0.02 0.00 0.00 39.34 39.55 1d5r n TYR 336 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1d5r s PHE 337 N -2.58 0.06 0.60 -0.72 0.40 -1.26 -0.96 117.98 113.52 1d5r s PHE 337 Ca -0.07 0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 1d5r s PHE 337 Cb 0.06 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.44 1d5r s PHE 337 CO 0.62 -0.03 1.01 -1.54 0.70 0.00 0.00 175.22 175.98 1d5r s SER 338 N 0.33 6.26 0.92 1.36 1.04 -1.26 -4.40 113.70 117.95 1d5r s SER 338 Ca -0.03 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.68 1d5r s SER 338 Cb -0.04 -2.46 0.14 0.00 0.10 0.00 0.00 66.02 63.77 1d5r s SER 338 CO -0.01 -0.83 1.09 -2.16 0.98 0.00 0.00 173.24 172.31 1d5r s PRO 339 N -5.08 1.03 0.00 4.02 0.04 -1.26 -1.85 135.00 131.91 1d5r s PRO 339 Ca 0.55 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1d5r s PRO 339 Cb -0.11 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1d5r s PRO 339 CO 0.52 -2.44 0.00 0.09 0.04 0.00 0.00 177.00 175.20 1d5r n ASN 340 N -4.05 0.00 -4.64 6.66 3.02 -1.26 -4.98 115.26 110.02 1d5r n ASN 340 Ca 0.07 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.17 1d5r n ASN 340 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1d5r n ASN 340 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1d5r n PHE 341 N -2.00 1.81 -3.80 3.10 7.35 -0.77 -4.67 117.46 118.48 1d5r n PHE 341 Ca 0.00 0.56 -0.11 0.00 -0.76 0.00 0.00 57.45 57.14 1d5r n PHE 341 Cb 0.00 -2.37 -0.08 0.00 0.35 0.00 0.00 39.48 37.38 1d5r n PHE 341 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1d5r s LYS 342 N -0.92 0.75 -0.19 -4.13 1.02 -1.26 -2.40 119.74 112.61 1d5r s LYS 342 Ca 0.65 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 56.07 1d5r s LYS 342 Cb -0.69 0.32 0.05 0.00 -0.52 0.00 0.00 37.83 36.99 1d5r s LYS 342 CO 0.55 -0.23 -0.06 0.08 -0.92 0.00 0.00 175.35 174.77 1d5r s VAL 343 N -2.55 1.29 -0.12 3.17 1.01 -0.33 -0.36 120.40 122.50 1d5r s VAL 343 Ca -0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1d5r s VAL 343 Cb -0.01 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1d5r s VAL 343 CO -0.04 0.09 0.21 -0.54 0.00 0.00 0.00 175.10 174.82 1d5r s LYS 344 N 1.54 3.81 -0.08 2.72 1.02 -0.28 -1.02 119.74 127.46 1d5r s LYS 344 Ca -0.01 -0.02 0.01 0.00 0.02 0.00 0.00 55.97 55.98 1d5r s LYS 344 Cb -0.16 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1d5r s LYS 344 CO -0.08 0.57 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.31 1d5r s LEU 345 N -0.50 2.90 -0.15 3.17 1.43 0.14 -1.19 118.68 124.49 1d5r s LEU 345 Ca 0.15 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1d5r s LEU 345 Cb -0.13 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1d5r s LEU 345 CO 0.04 0.30 -0.17 -0.31 0.23 0.00 0.00 176.35 176.45 1d5r s TYR 346 N -0.47 2.76 0.26 0.29 1.51 -0.72 -1.18 117.35 119.80 1d5r s TYR 346 Ca 0.06 -1.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1d5r s TYR 346 Cb -0.12 -1.88 -0.06 0.00 -0.11 0.00 0.00 41.96 39.80 1d5r s TYR 346 CO 0.02 -0.54 0.01 -0.06 -1.11 0.00 0.00 175.55 173.87 1d5r s PHE 347 N 0.87 1.72 0.06 2.71 0.40 0.20 -1.53 117.98 122.41 1d5r s PHE 347 Ca -0.05 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 1d5r s PHE 347 Cb -0.15 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1d5r s PHE 347 CO -0.02 0.01 -0.04 0.95 0.70 0.00 0.00 175.22 176.82 1d5r s THR 348 N -3.34 0.34 -0.25 0.64 -4.23 -1.10 0.95 115.64 108.65 1d5r s THR 348 Ca 0.31 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 58.96 1d5r s THR 348 Cb 0.06 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 1d5r s THR 348 CO 0.11 -0.83 0.78 -0.54 -0.54 0.00 0.00 174.62 173.60 1d5r s LYS 349 N -3.29 4.16 0.19 3.99 1.02 -1.26 -2.10 119.74 122.44 1d5r s LYS 349 Ca 0.03 0.84 -0.21 0.00 0.02 0.00 0.00 55.97 56.65 1d5r s LYS 349 Cb 0.03 -3.65 0.12 0.00 -0.52 0.00 0.00 37.83 33.81 1d5r s LYS 349 CO -0.06 -0.50 1.59 1.79 -0.92 0.00 0.00 175.35 177.25 1d5r h THR 350 N 5.43 0.18 0.00 2.17 1.35 -1.89 -3.48 112.91 116.67 1d5r h THR 350 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1d5r h THR 350 Cb 1.10 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1d5r h THR 350 CO 0.85 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 177.45