#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddr s THR 9 N 0.00 1.48 -0.16 5.18 2.01 -1.26 -1.79 115.64 121.10 2ddr s THR 9 Ca 0.00 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2ddr s THR 9 Cb 0.00 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 2ddr s THR 9 CO 0.00 0.42 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.02 2ddr s LEU 10 N -0.34 2.71 -0.27 4.42 2.96 -0.29 -4.97 118.68 122.91 2ddr s LEU 10 Ca 0.05 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2ddr s LEU 10 Cb -0.08 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2ddr s LEU 10 CO -0.00 0.11 0.01 -0.54 -1.32 0.00 0.00 176.35 174.61 2ddr s LYS 11 N 0.70 3.05 -0.04 1.98 1.02 -1.26 -1.09 119.74 124.10 2ddr s LYS 11 Ca -0.06 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.12 2ddr s LYS 11 Cb -0.15 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2ddr s LYS 11 CO 0.02 -0.39 -0.19 0.08 -0.92 0.00 0.00 175.35 173.96 2ddr s VAL 12 N 1.43 1.54 0.07 3.17 1.01 -0.80 -0.20 120.40 126.62 2ddr s VAL 12 Ca 0.02 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2ddr s VAL 12 Cb -0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2ddr s VAL 12 CO -0.01 0.44 -0.20 -0.32 0.00 0.00 0.00 175.10 175.01 2ddr s MET 13 N -0.10 1.27 -0.01 2.72 0.00 -0.31 0.51 119.30 123.39 2ddr s MET 13 Ca -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 55.69 54.70 2ddr s MET 13 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 34.83 33.28 2ddr s MET 13 CO 0.02 0.35 -0.13 -0.08 0.00 0.00 0.00 175.02 175.18 2ddr s THR 14 N -0.94 1.06 -0.17 10.11 -1.32 -0.52 0.08 115.64 123.94 2ddr s THR 14 Ca 0.07 -0.60 -0.07 0.00 -1.21 0.00 0.00 61.69 59.88 2ddr s THR 14 Cb -0.09 -0.89 0.08 0.00 -1.51 0.00 0.00 72.50 70.08 2ddr s THR 14 CO 0.03 0.28 0.37 -2.28 -2.21 0.00 0.00 174.62 170.80 2ddr s HIS 15 N -0.35 -0.64 -0.50 9.09 5.04 -0.13 -1.56 115.29 126.24 2ddr s HIS 15 Ca 0.05 1.30 -0.25 0.00 -1.54 0.00 0.00 55.06 54.62 2ddr s HIS 15 Cb -0.05 0.19 0.03 0.00 0.04 0.00 0.00 32.58 32.79 2ddr s HIS 15 CO -0.00 -0.41 0.93 1.21 -2.34 0.00 0.00 174.74 174.12 2ddr s ASN 16 N 2.30 6.42 0.00 9.88 3.04 -1.26 -1.32 114.94 134.00 2ddr s ASN 16 Ca -0.03 -0.10 0.18 0.00 0.04 0.00 0.00 52.86 52.95 2ddr s ASN 16 Cb -0.11 -2.44 0.58 0.00 -1.54 0.00 0.00 41.25 37.73 2ddr s ASN 16 CO -0.11 -1.12 1.44 1.33 -3.04 0.00 0.00 177.10 175.60 2ddr n VAL 17 N 6.31 0.35 -3.81 -5.21 0.24 -0.41 -4.27 118.33 111.53 2ddr n VAL 17 Ca 0.04 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 2ddr n VAL 17 Cb 0.48 0.39 0.03 0.00 -1.47 0.00 0.00 33.84 33.26 2ddr n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ddr n TYR 18 N 0.54 -1.79 -3.48 6.34 9.36 -1.26 -4.66 117.16 122.22 2ddr n TYR 18 Ca 0.15 0.40 -0.33 0.00 3.32 0.00 0.00 57.90 61.44 2ddr n TYR 18 Cb 0.35 -3.14 -0.06 0.00 -0.63 0.00 0.00 39.34 35.87 2ddr n TYR 18 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2ddr n MET 19 N -4.17 2.86 -1.12 2.98 2.81 0.37 -4.95 117.12 115.90 2ddr n MET 19 Ca -0.13 -4.57 -0.32 0.00 -1.81 0.00 0.00 57.70 50.88 2ddr n MET 19 Cb 0.59 -2.36 0.11 0.00 -0.71 0.00 0.00 33.22 30.85 2ddr n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2ddr s LEU 20 N -2.05 3.03 0.25 4.03 1.43 -1.26 -1.45 118.68 122.66 2ddr s LEU 20 Ca 0.32 2.03 -0.31 0.00 -1.03 0.00 0.00 54.13 55.15 2ddr s LEU 20 Cb 0.03 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.60 2ddr s LEU 20 CO -0.05 -2.41 1.57 -0.55 0.23 0.00 0.00 176.35 175.13 2ddr s SER 21 N -2.91 6.49 0.01 2.29 0.15 -1.26 -4.13 113.70 114.34 2ddr s SER 21 Ca 0.65 2.80 0.19 0.00 0.70 0.00 0.00 55.95 60.29 2ddr s SER 21 Cb -0.21 -2.62 0.79 0.00 -1.71 0.00 0.00 66.02 62.27 2ddr s SER 21 CO 0.54 -0.85 1.59 0.35 1.20 0.00 0.00 173.24 176.08 2ddr n THR 22 N 2.80 0.75 0.21 6.45 -2.24 -1.26 -0.77 114.28 120.22 2ddr n THR 22 Ca 0.10 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 2ddr n THR 22 Cb 0.38 -0.88 0.32 0.00 -2.10 0.00 0.00 70.33 68.05 2ddr n THR 22 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2ddr h ASN 23 N 0.00 0.00 0.00 3.42 -0.26 -1.96 -2.91 115.58 113.86 2ddr h ASN 23 Ca 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.54 2ddr h ASN 23 Cb 0.32 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.54 2ddr h ASN 23 CO 0.00 0.22 -1.74 0.18 -1.06 0.00 0.00 177.43 175.03 2ddr n LEU 24 N -3.25 0.37 -3.60 1.61 4.77 -0.88 -4.80 117.00 111.23 2ddr n LEU 24 Ca 0.01 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2ddr n LEU 24 Cb 0.51 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 2ddr n LEU 24 CO 0.35 0.32 -0.16 -1.22 -1.33 0.00 0.00 177.39 175.34 2ddr n TYR 25 N -2.46 1.25 0.05 -1.77 4.01 0.05 -4.98 117.16 113.32 2ddr n TYR 25 Ca -0.18 -3.82 0.11 0.00 -0.16 0.00 0.00 57.90 53.84 2ddr n TYR 25 Cb 0.84 -0.22 0.56 0.00 -0.31 0.00 0.00 39.34 40.21 2ddr n TYR 25 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ddr h PRO 26 N 5.30 0.23 -1.77 -0.72 0.11 -1.74 -3.31 132.00 130.09 2ddr h PRO 26 Ca 0.20 -0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.66 2ddr h PRO 26 Cb 0.82 -0.05 -0.38 0.00 0.11 0.00 0.00 31.00 31.50 2ddr h PRO 26 CO 0.56 0.15 -0.25 0.09 -0.21 0.00 0.00 178.00 178.35 2ddr n ASN 27 N -4.48 5.41 -0.88 -2.05 4.13 -1.26 -4.64 115.26 111.49 2ddr n ASN 27 Ca 0.05 -3.74 0.08 0.00 1.68 0.00 0.00 54.58 52.64 2ddr n ASN 27 Cb 0.26 -0.64 0.23 0.00 -1.54 0.00 0.00 39.78 38.10 2ddr n ASN 27 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2ddr n TRP 28 N -0.44 0.85 -2.34 3.10 5.03 -1.25 -4.76 117.44 117.63 2ddr n TRP 28 Ca 0.41 -0.72 -0.20 0.00 3.03 0.00 0.00 57.50 60.02 2ddr n TRP 28 Cb 0.51 -0.21 -0.02 0.00 -1.03 0.00 0.00 31.31 30.56 2ddr n TRP 28 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2ddr n GLY 29 N 0.00 -0.30 0.15 6.99 0.00 -1.26 -4.91 105.19 105.86 2ddr n GLY 29 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2ddr n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ddr h GLN 30 N 0.00 0.14 -0.12 1.61 7.50 -1.92 0.34 115.11 122.65 2ddr h GLN 30 Ca -0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.65 2ddr h GLN 30 Cb 1.36 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.85 2ddr h GLN 30 CO 0.58 0.09 0.05 1.15 -1.50 0.00 0.00 178.83 179.20 2ddr h THR 31 N 0.15 1.15 -0.77 -0.54 2.02 -1.92 -1.18 112.91 111.81 2ddr h THR 31 Ca 0.16 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2ddr h THR 31 Cb 0.19 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2ddr h THR 31 CO -0.23 0.14 0.37 -0.08 0.37 0.00 0.00 175.52 176.08 2ddr h GLU 32 N 0.04 1.11 0.00 6.66 4.81 -1.92 -2.10 114.58 123.18 2ddr h GLU 32 Ca 0.04 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2ddr h GLU 32 Cb 0.17 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2ddr h GLU 32 CO -0.00 0.87 -0.25 0.00 -0.73 0.00 0.00 179.01 178.89 2ddr h ARG 33 N 1.09 0.00 -0.80 1.92 3.08 -0.79 -0.33 114.38 118.55 2ddr h ARG 33 Ca 0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 2ddr h ARG 33 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2ddr h ARG 33 CO -0.03 0.25 0.34 0.00 -1.07 0.00 0.00 179.97 179.46 2ddr h ALA 34 N 1.75 1.09 -0.18 0.04 0.00 -0.52 0.22 119.26 121.67 2ddr h ALA 34 Ca -0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 2ddr h ALA 34 Cb 0.58 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ddr h ALA 34 CO 0.03 0.66 -0.58 -0.44 0.00 0.00 0.00 179.25 178.92 2ddr h ASP 35 N 1.16 0.82 -0.19 0.00 3.45 -1.12 -1.52 116.42 119.02 2ddr h ASP 35 Ca 0.27 -0.59 -0.02 0.00 0.43 0.00 0.00 57.03 57.11 2ddr h ASP 35 Cb 0.18 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 2ddr h ASP 35 CO -0.03 1.27 0.02 -0.07 -1.57 0.00 0.00 179.24 178.87 2ddr h LEU 36 N 0.42 0.31 -0.54 1.55 3.38 -0.77 -2.29 115.31 117.36 2ddr h LEU 36 Ca -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2ddr h LEU 36 Cb 1.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2ddr h LEU 36 CO 0.12 0.51 0.19 0.40 0.09 0.00 0.00 178.44 179.75 2ddr h ILE 37 N 0.09 1.23 -0.47 1.22 2.04 -0.65 -0.82 117.51 120.15 2ddr h ILE 37 Ca 0.06 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.25 2ddr h ILE 37 Cb 0.34 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2ddr h ILE 37 CO 0.01 0.28 0.32 1.23 0.00 0.00 0.00 178.15 179.99 2ddr h GLY 38 N 0.74 0.35 -1.19 5.37 0.00 -1.14 -1.94 103.07 105.27 2ddr h GLY 38 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2ddr h GLY 38 CO -0.01 0.07 -0.34 0.00 0.00 0.00 0.00 176.54 176.26 2ddr n ALA 39 N -2.55 3.25 -1.76 3.60 0.00 -0.88 -4.72 120.51 117.45 2ddr n ALA 39 Ca 0.07 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.48 2ddr n ALA 39 Cb 0.35 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 19.06 2ddr n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddr s ALA 40 N -2.28 2.98 0.17 0.00 0.00 -0.34 -4.96 121.76 117.33 2ddr s ALA 40 Ca 0.20 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.42 2ddr s ALA 40 Cb 0.18 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.82 2ddr s ALA 40 CO 0.48 -1.15 1.42 -0.44 0.00 0.00 0.00 175.76 176.08 2ddr h ASP 41 N 1.87 0.49 -0.08 0.00 3.45 -1.90 -3.29 116.42 116.95 2ddr h ASP 41 Ca -0.50 -0.32 0.02 0.00 0.43 0.00 0.00 57.03 56.65 2ddr h ASP 41 Cb 1.28 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2ddr h ASP 41 CO 0.59 1.07 0.06 0.10 -1.57 0.00 0.00 179.24 179.48 2ddr h TYR 42 N 0.27 0.01 -0.01 4.55 -0.00 -1.95 -2.26 116.97 117.59 2ddr h TYR 42 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.70 2ddr h TYR 42 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 2ddr h TYR 42 CO 0.05 0.00 -0.06 1.51 -0.00 0.00 0.00 178.16 179.66 2ddr n ILE 43 N -4.52 0.00 -2.28 -0.90 3.06 -1.24 -4.92 119.36 108.56 2ddr n ILE 43 Ca -0.01 -0.20 -0.27 0.00 -2.50 0.00 0.00 62.75 59.77 2ddr n ILE 43 Cb 0.16 0.37 0.04 0.00 0.54 0.00 0.00 39.64 40.75 2ddr n ILE 43 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2ddr s LYS 44 N -2.12 2.75 -1.64 9.51 1.02 -0.85 -4.43 119.74 123.99 2ddr s LYS 44 Ca 0.36 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.36 2ddr s LYS 44 Cb 0.21 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2ddr s LYS 44 CO 0.38 -0.87 0.00 0.09 -0.92 0.00 0.00 175.35 174.04 2ddr n ASN 45 N -2.72 -5.46 -4.89 2.83 3.02 -1.26 -5.01 115.26 101.76 2ddr n ASN 45 Ca 0.06 -0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.40 2ddr n ASN 45 Cb 0.58 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 2ddr n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2ddr s GLN 46 N -4.90 2.79 -0.17 3.52 -1.52 -1.26 -4.96 119.66 113.16 2ddr s GLN 46 Ca 0.00 -1.27 -0.03 0.00 -1.95 0.00 0.00 55.36 52.12 2ddr s GLN 46 Cb 0.00 -2.55 -0.23 0.00 -0.22 0.00 0.00 33.01 30.01 2ddr s GLN 46 CO 0.00 0.03 0.15 -0.25 -0.25 0.00 0.00 175.29 174.97 2ddr n ASP 47 N -1.48 2.02 -3.86 5.90 10.43 0.72 -4.70 116.55 125.58 2ddr n ASP 47 Ca -0.00 0.08 -0.12 0.00 2.57 0.00 0.00 54.79 57.32 2ddr n ASP 47 Cb 0.60 -0.66 -0.13 0.00 1.84 0.00 0.00 41.12 42.77 2ddr n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2ddr s VAL 48 N -2.54 0.02 -0.08 2.53 1.01 -0.87 -2.25 120.40 118.21 2ddr s VAL 48 Ca -0.27 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2ddr s VAL 48 Cb 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.32 2ddr s VAL 48 CO 0.71 -0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 2ddr s VAL 49 N -0.20 1.03 -0.20 2.92 1.01 -0.11 -1.16 120.40 123.70 2ddr s VAL 49 Ca -0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2ddr s VAL 49 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2ddr s VAL 49 CO 0.00 0.35 0.11 -0.63 0.00 0.00 0.00 175.10 174.93 2ddr s ILE 50 N 1.15 5.15 -0.05 2.22 1.01 0.11 -1.31 121.20 129.48 2ddr s ILE 50 Ca -0.06 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2ddr s ILE 50 Cb -0.14 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2ddr s ILE 50 CO -0.02 0.43 -0.14 -0.76 0.00 0.00 0.00 174.94 174.45 2ddr s LEU 51 N 0.49 2.73 0.17 2.97 1.43 0.30 -0.95 118.68 125.82 2ddr s LEU 51 Ca 0.06 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2ddr s LEU 51 Cb -0.12 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2ddr s LEU 51 CO -0.00 0.34 -0.20 0.20 0.23 0.00 0.00 176.35 176.93 2ddr s ASN 52 N -0.71 2.87 -1.47 2.29 0.02 -0.43 -2.22 114.94 115.28 2ddr s ASN 52 Ca 0.11 -0.86 -0.08 0.00 -1.02 0.00 0.00 52.86 51.01 2ddr s ASN 52 Cb -0.11 -0.18 0.03 0.00 0.02 0.00 0.00 41.25 41.01 2ddr s ASN 52 CO 0.01 0.00 0.80 -0.62 0.02 0.00 0.00 177.10 177.31 2ddr n GLU 53 N 0.28 -5.64 -2.26 -0.60 1.02 -0.13 -1.29 120.64 112.03 2ddr n GLU 53 Ca -0.13 0.80 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 2ddr n GLU 53 Cb 0.57 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 2ddr n GLU 53 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2ddr n VAL 54 N -4.61 5.38 -0.02 2.62 0.24 -0.58 -0.48 118.33 120.89 2ddr n VAL 54 Ca -0.05 -4.86 -0.16 0.00 -2.04 0.00 0.00 64.34 57.24 2ddr n VAL 54 Cb 0.58 -1.97 -0.11 0.00 -1.47 0.00 0.00 33.84 30.88 2ddr n VAL 54 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2ddr h PHE 55 N 4.67 0.44 -2.42 6.34 0.05 -1.67 -3.42 116.94 120.94 2ddr h PHE 55 Ca 0.60 -0.22 -0.53 0.00 3.82 0.00 0.00 57.97 61.64 2ddr h PHE 55 Cb 0.36 -0.06 0.03 0.00 2.00 0.00 0.00 35.95 38.28 2ddr h PHE 55 CO 1.46 1.01 1.19 0.34 -0.18 0.00 0.00 178.31 182.14 2ddr s ASP 56 N -6.48 6.43 0.10 2.17 2.15 -0.53 -4.76 116.67 115.75 2ddr s ASP 56 Ca -0.14 2.72 -0.22 0.00 0.43 0.00 0.00 52.55 55.33 2ddr s ASP 56 Cb 0.03 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 39.97 2ddr s ASP 56 CO 0.78 -1.04 1.74 0.78 -0.17 0.00 0.00 175.17 177.26 2ddr h ASN 57 N 9.89 0.01 -0.09 -0.34 4.21 -1.92 0.27 115.58 127.61 2ddr h ASN 57 Ca -0.48 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 2ddr h ASN 57 Cb 1.23 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2ddr h ASN 57 CO 0.94 0.01 0.00 -1.28 -1.29 0.00 0.00 177.43 175.82 2ddr h SER 58 N 0.03 0.16 -0.20 5.81 0.87 -1.99 -2.00 113.55 116.23 2ddr h SER 58 Ca 0.01 -0.30 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 2ddr h SER 58 Cb 0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2ddr h SER 58 CO -0.01 0.42 -0.29 0.00 -0.53 0.00 0.00 176.83 176.41 2ddr h ALA 59 N 0.75 0.87 -0.47 6.23 0.00 -1.90 -1.28 119.26 123.46 2ddr h ALA 59 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2ddr h ALA 59 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ddr h ALA 59 CO 0.00 0.63 -0.05 0.66 0.00 0.00 0.00 179.25 180.49 2ddr h SER 60 N 0.59 0.85 -0.09 0.00 4.64 -0.94 0.08 113.55 118.68 2ddr h SER 60 Ca 0.07 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 2ddr h SER 60 Cb 0.80 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2ddr h SER 60 CO 0.07 0.98 -0.15 0.44 -0.87 0.00 0.00 176.83 177.30 2ddr h ASP 61 N 0.70 0.44 -0.34 4.97 3.45 -1.23 0.04 116.42 124.45 2ddr h ASP 61 Ca 0.13 -0.11 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 2ddr h ASP 61 Cb 0.57 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2ddr h ASP 61 CO 0.03 0.61 -0.03 -0.09 -1.57 0.00 0.00 179.24 178.19 2ddr h ARG 62 N 0.42 0.62 -0.15 3.56 2.43 -0.87 -0.57 114.38 119.81 2ddr h ARG 62 Ca 0.08 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2ddr h ARG 62 Cb 0.50 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2ddr h ARG 62 CO 0.03 0.76 0.04 1.25 -1.51 0.00 0.00 179.97 180.55 2ddr h LEU 63 N 0.42 0.22 -1.13 3.80 5.85 -0.59 -0.62 115.31 123.26 2ddr h LEU 63 Ca 0.09 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2ddr h LEU 63 Cb 0.50 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2ddr h LEU 63 CO 0.02 0.38 0.59 -0.07 -0.34 0.00 0.00 178.44 179.02 2ddr h LEU 64 N 0.06 0.98 -0.89 2.25 3.38 -0.95 -1.00 115.31 119.12 2ddr h LEU 64 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2ddr h LEU 64 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2ddr h LEU 64 CO -0.00 0.67 -0.00 1.23 0.09 0.00 0.00 178.44 180.43 2ddr h GLY 65 N 1.13 0.87 2.00 0.83 0.00 -0.74 -1.86 103.07 105.31 2ddr h GLY 65 Ca 0.35 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2ddr h GLY 65 CO -0.10 0.55 -0.24 3.43 0.00 0.00 0.00 176.54 180.17 2ddr h ASN 66 N 0.76 0.00 0.21 0.19 2.35 0.07 -2.82 115.58 116.33 2ddr h ASN 66 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2ddr h ASN 66 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2ddr h ASN 66 CO 0.02 0.24 -0.35 0.18 -1.65 0.00 0.00 177.43 175.87 2ddr n LEU 67 N -3.43 1.15 -0.21 1.61 4.77 -0.50 -4.41 117.00 115.98 2ddr n LEU 67 Ca -0.00 -0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 2ddr n LEU 67 Cb 0.43 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2ddr n LEU 67 CO 0.34 0.22 1.07 0.50 -1.33 0.00 0.00 177.39 178.18 2ddr h LYS 68 N 1.25 0.61 -0.07 3.23 1.63 -1.08 0.28 116.57 122.42 2ddr h LYS 68 Ca 0.00 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 2ddr h LYS 68 Cb 0.55 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 2ddr h LYS 68 CO 0.00 0.40 -0.34 -0.22 -3.45 0.00 0.00 179.45 175.85 2ddr h LYS 69 N 0.63 -0.43 0.06 1.90 1.63 -1.78 -0.43 116.57 118.14 2ddr h LYS 69 Ca 0.27 0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.85 2ddr h LYS 69 Cb 0.16 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2ddr h LYS 69 CO -0.17 -0.29 -1.24 1.49 -3.45 0.00 0.00 179.45 175.80 2ddr h GLU 70 N -0.45 0.12 -2.25 1.90 4.81 -1.85 -3.39 114.58 113.47 2ddr h GLU 70 Ca 0.08 -0.21 -0.59 0.00 -0.13 0.00 0.00 59.36 58.50 2ddr h GLU 70 Cb 0.57 0.08 -0.41 0.00 0.63 0.00 0.00 28.75 29.61 2ddr h GLU 70 CO -0.32 1.03 -0.73 0.66 -0.73 0.00 0.00 179.01 178.92 2ddr n TYR 71 N -3.39 2.44 0.30 0.92 4.01 0.99 -4.36 117.16 118.07 2ddr n TYR 71 Ca -0.07 -3.99 0.19 0.00 -0.16 0.00 0.00 57.90 53.87 2ddr n TYR 71 Cb 0.99 -0.48 0.90 0.00 -0.31 0.00 0.00 39.34 40.45 2ddr n TYR 71 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ddr h PRO 72 N 4.33 0.00 -5.34 -0.72 0.13 -1.09 -3.38 132.00 125.93 2ddr h PRO 72 Ca 0.17 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.65 2ddr h PRO 72 Cb 0.73 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.71 2ddr h PRO 72 CO 0.71 0.01 0.06 -0.80 -0.23 0.00 0.00 178.00 177.75 2ddr s ASN 73 N -5.50 6.33 0.02 1.44 0.01 -0.92 -4.98 114.94 111.34 2ddr s ASN 73 Ca -0.01 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.95 2ddr s ASN 73 Cb 0.11 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 2ddr s ASN 73 CO 0.49 -0.66 -0.05 -1.10 -1.51 0.00 0.00 177.10 174.28 2ddr s GLN 74 N 2.65 0.36 0.51 -0.60 -0.21 -1.26 -0.03 119.66 121.09 2ddr s GLN 74 Ca 0.21 -0.49 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 2ddr s GLN 74 Cb -0.15 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.73 2ddr s GLN 74 CO 0.16 0.02 0.76 0.95 -2.12 0.00 0.00 175.29 175.06 2ddr s THR 75 N -0.97 3.49 1.00 -0.19 -4.23 -0.45 -5.02 115.64 109.27 2ddr s THR 75 Ca -0.08 -0.44 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 2ddr s THR 75 Cb -0.07 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.66 2ddr s THR 75 CO -0.00 -0.25 1.29 0.00 -0.54 0.00 0.00 174.62 175.12 2ddr s ALA 76 N -2.72 2.01 -0.11 3.99 0.00 -1.26 -4.66 121.76 119.00 2ddr s ALA 76 Ca 0.52 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 2ddr s ALA 76 Cb -0.10 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2ddr s ALA 76 CO 0.40 -2.60 0.63 0.08 0.00 0.00 0.00 175.76 174.27 2ddr s VAL 77 N -3.77 5.08 0.02 0.00 1.01 -1.26 -4.63 120.40 116.86 2ddr s VAL 77 Ca 0.74 1.27 -0.39 0.00 0.00 0.00 0.00 61.98 63.59 2ddr s VAL 77 Cb -0.05 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.18 2ddr s VAL 77 CO 0.53 0.24 1.15 -0.11 0.00 0.00 0.00 175.10 176.92 2ddr n LEU 78 N 4.04 0.50 -0.06 3.92 7.94 0.35 -1.99 117.00 131.71 2ddr n LEU 78 Ca -0.03 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 56.01 2ddr n LEU 78 Cb 0.51 -1.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.46 2ddr n LEU 78 CO 0.45 -1.64 -0.01 0.61 -1.11 0.00 0.00 177.39 175.69 2ddr n GLY 79 N 1.82 0.32 0.07 -3.96 0.00 -1.26 -0.45 105.19 101.72 2ddr n GLY 79 Ca 0.20 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2ddr n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ddr n ARG 80 N -1.19 0.63 -3.84 1.61 0.63 -0.84 -4.55 116.66 109.12 2ddr n ARG 80 Ca -0.01 -0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.84 2ddr n ARG 80 Cb 0.25 -1.68 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 2ddr n ARG 80 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2ddr s SER 81 N -5.02 -0.18 -0.20 6.15 1.04 -1.26 -5.08 113.70 109.14 2ddr s SER 81 Ca -0.04 -0.73 0.20 0.00 0.48 0.00 0.00 55.95 55.86 2ddr s SER 81 Cb 0.11 0.73 0.43 0.00 0.10 0.00 0.00 66.02 67.39 2ddr s SER 81 CO 0.85 -1.38 1.20 -1.54 0.98 0.00 0.00 173.24 173.35 2ddr n SER 82 N -0.72 0.61 -1.04 7.02 3.41 -1.26 -5.03 113.62 116.61 2ddr n SER 82 Ca -0.05 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2ddr n SER 82 Cb 0.59 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2ddr n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ddr n GLY 83 N -0.53 1.01 0.00 5.00 0.00 -1.26 -4.93 105.19 104.48 2ddr n GLY 83 Ca -0.01 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.15 2ddr n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ddr n SER 84 N 0.00 0.00 0.02 1.61 3.41 -1.26 -1.94 113.62 115.46 2ddr n SER 84 Ca 0.00 0.20 0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2ddr n SER 84 Cb 0.00 -0.29 0.38 0.00 -0.26 0.00 0.00 64.21 64.04 2ddr n SER 84 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ddr n GLU 85 N -1.29 0.03 -5.28 4.33 0.00 -1.26 -4.55 120.64 112.62 2ddr n GLU 85 Ca 0.03 0.24 -0.31 0.00 0.00 0.00 0.00 57.16 57.12 2ddr n GLU 85 Cb 0.05 -1.56 -0.16 0.00 0.00 0.00 0.00 31.44 29.78 2ddr n GLU 85 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2ddr s TRP 86 N -3.04 2.38 0.21 -1.84 0.52 -0.82 -4.72 118.94 111.63 2ddr s TRP 86 Ca 0.08 -0.53 0.07 0.00 0.02 0.00 0.00 56.10 55.74 2ddr s TRP 86 Cb 0.11 -1.54 0.13 0.00 -1.15 0.00 0.00 33.47 31.02 2ddr s TRP 86 CO 0.33 -0.09 1.47 -0.44 0.02 0.00 0.00 176.95 178.24 2ddr h ASP 87 N 5.69 0.09 -4.17 2.95 3.32 -0.68 -3.45 116.42 120.17 2ddr h ASP 87 Ca -0.39 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 2ddr h ASP 87 Cb 1.14 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 2ddr h ASP 87 CO 0.47 0.82 -0.25 -0.54 -1.72 0.00 0.00 179.24 178.02 2ddr s LYS 88 N -3.32 0.52 -0.27 3.56 1.02 -1.23 -5.05 119.74 114.98 2ddr s LYS 88 Ca -0.01 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.37 2ddr s LYS 88 Cb 0.11 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.73 2ddr s LYS 88 CO 0.79 -0.09 -0.09 0.99 -0.92 0.00 0.00 175.35 176.03 2ddr s THR 89 N -0.19 2.21 0.32 2.17 2.01 -1.26 -2.01 115.64 118.89 2ddr s THR 89 Ca -0.03 -1.69 0.08 0.00 0.31 0.00 0.00 61.69 60.36 2ddr s THR 89 Cb -0.03 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2ddr s THR 89 CO 0.02 -0.08 0.13 -0.76 -0.69 0.00 0.00 174.62 173.23 2ddr s LEU 90 N 1.09 3.29 0.00 4.42 1.43 0.29 -5.01 118.68 124.19 2ddr s LEU 90 Ca -0.07 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2ddr s LEU 90 Cb -0.20 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2ddr s LEU 90 CO -0.05 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2ddr n GLY 91 N -1.12 -1.60 1.77 -3.19 0.00 -1.26 -1.45 105.19 98.34 2ddr n GLY 91 Ca -0.04 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2ddr n GLY 91 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddr n ASN 92 N 0.11 5.41 -4.75 1.61 4.05 -0.60 -4.78 115.26 116.32 2ddr n ASN 92 Ca 0.00 -2.51 -0.41 0.00 0.45 0.00 0.00 54.58 52.11 2ddr n ASN 92 Cb 0.00 -1.25 -0.02 0.00 1.23 0.00 0.00 39.78 39.74 2ddr n ASN 92 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2ddr s TYR 93 N 0.24 2.96 -0.03 1.20 5.04 -1.26 -4.92 117.35 120.58 2ddr s TYR 93 Ca 0.31 1.01 0.02 0.00 -2.44 0.00 0.00 57.07 55.97 2ddr s TYR 93 Cb 0.16 -3.86 0.01 0.00 0.35 0.00 0.00 41.96 38.61 2ddr s TYR 93 CO -0.01 -2.80 -0.08 0.45 -1.34 0.00 0.00 175.55 171.77 2ddr s SER 94 N 0.32 1.15 0.00 4.32 0.15 -1.26 -5.02 113.70 113.36 2ddr s SER 94 Ca 0.59 -0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.34 2ddr s SER 94 Cb -0.43 -0.37 1.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ddr s SER 94 CO 0.45 0.04 1.73 -1.54 1.20 0.00 0.00 173.24 175.12 2ddr n SER 95 N 3.45 0.60 -1.52 5.45 3.41 -1.26 -3.86 113.62 119.89 2ddr n SER 95 Ca -0.20 -0.54 0.08 0.00 -0.26 0.00 0.00 58.87 57.95 2ddr n SER 95 Cb 0.54 -0.01 0.35 0.00 -0.26 0.00 0.00 64.21 64.83 2ddr n SER 95 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ddr n SER 96 N -0.98 4.99 -4.84 4.04 3.41 -1.26 -4.99 113.62 114.00 2ddr n SER 96 Ca 0.12 -2.88 -0.32 0.00 -0.26 0.00 0.00 58.87 55.54 2ddr n SER 96 Cb 0.31 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2ddr n SER 96 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ddr s THR 97 N -2.63 4.36 -0.52 6.66 -4.23 -1.25 -4.95 115.64 113.07 2ddr s THR 97 Ca 0.50 0.94 0.25 0.00 -1.18 0.00 0.00 61.69 62.20 2ddr s THR 97 Cb 0.38 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.89 2ddr s THR 97 CO 0.15 -0.83 1.72 -0.65 -0.54 0.00 0.00 174.62 174.47 2ddr h PRO 98 N 0.15 0.00 -3.87 3.99 0.11 -1.89 -3.47 132.00 127.03 2ddr h PRO 98 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2ddr h PRO 98 Cb 1.20 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 2ddr h PRO 98 CO 0.60 0.00 -0.39 -2.00 -0.21 0.00 0.00 178.00 176.00 2ddr s GLU 99 N -3.21 0.88 0.71 1.05 2.56 -1.19 -5.07 118.70 114.43 2ddr s GLU 99 Ca 0.08 -1.03 0.02 0.00 0.00 0.00 0.00 54.97 54.04 2ddr s GLU 99 Cb 0.09 0.34 0.13 0.00 2.00 0.00 0.00 34.13 36.69 2ddr s GLU 99 CO 0.61 -0.28 0.97 0.16 -0.56 0.00 0.00 175.26 176.16 2ddr s ASP 100 N -2.89 4.40 0.24 -1.70 1.47 -1.26 -4.00 116.67 112.94 2ddr s ASP 100 Ca 0.08 -0.59 0.25 0.00 1.18 0.00 0.00 52.55 53.47 2ddr s ASP 100 Cb 0.05 0.26 0.89 0.00 -0.34 0.00 0.00 42.92 43.78 2ddr s ASP 100 CO -0.09 -1.84 1.75 0.61 0.68 0.00 0.00 175.17 176.28 2ddr n GLY 101 N -2.74 -1.53 2.43 2.12 0.00 0.40 -4.63 105.19 101.24 2ddr n GLY 101 Ca 0.17 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2ddr n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddr n GLY 102 N 0.72 1.18 3.44 -0.02 0.00 -1.24 -4.67 105.19 104.60 2ddr n GLY 102 Ca 0.04 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2ddr n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ddr s VAL 103 N -2.29 3.17 0.04 1.61 1.01 -1.26 -0.95 120.40 121.72 2ddr s VAL 103 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2ddr s VAL 103 Cb 0.00 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.09 2ddr s VAL 103 CO 0.00 0.55 0.22 0.00 0.00 0.00 0.00 175.10 175.87 2ddr s ALA 104 N -0.16 -0.43 -0.04 5.51 0.00 -0.94 -0.50 121.76 125.20 2ddr s ALA 104 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2ddr s ALA 104 Cb -0.13 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2ddr s ALA 104 CO 0.03 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.71 2ddr s ILE 105 N -2.50 1.18 0.14 0.00 1.01 -1.26 -0.54 121.20 119.23 2ddr s ILE 105 Ca -0.06 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2ddr s ILE 105 Cb -0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2ddr s ILE 105 CO -0.03 0.35 -0.17 0.68 0.00 0.00 0.00 174.94 175.76 2ddr s VAL 106 N 0.19 1.63 0.09 2.92 -7.23 -0.43 -1.34 120.40 116.23 2ddr s VAL 106 Ca -0.05 -1.80 -0.17 0.00 -1.81 0.00 0.00 61.98 58.15 2ddr s VAL 106 Cb -0.11 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.17 2ddr s VAL 106 CO 0.02 -0.32 0.42 -0.55 -0.31 0.00 0.00 175.10 174.36 2ddr s SER 107 N -2.49 -0.28 0.00 4.85 0.15 0.96 -0.93 113.70 115.96 2ddr s SER 107 Ca 0.12 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 56.87 2ddr s SER 107 Cb -0.06 0.46 0.75 0.00 -1.71 0.00 0.00 66.02 65.47 2ddr s SER 107 CO 0.05 -0.79 1.59 2.29 1.20 0.00 0.00 173.24 177.58 2ddr n LYS 108 N 0.05 0.07 -4.10 5.44 2.85 -0.96 -2.17 118.16 119.35 2ddr n LYS 108 Ca -0.17 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.77 2ddr n LYS 108 Cb 0.62 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.44 2ddr n LYS 108 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2ddr s TRP 109 N -2.95 3.08 0.28 5.58 0.52 -1.26 -4.88 118.94 119.31 2ddr s TRP 109 Ca 0.13 -0.00 -0.30 0.00 0.02 0.00 0.00 56.10 55.95 2ddr s TRP 109 Cb 0.18 -1.54 -0.12 0.00 -1.15 0.00 0.00 33.47 30.84 2ddr s TRP 109 CO 0.63 0.51 1.52 -2.30 0.02 0.00 0.00 176.95 177.34 2ddr n PRO 110 N 0.20 2.47 -3.50 4.98 -0.02 -1.26 -4.73 135.00 133.14 2ddr n PRO 110 Ca -0.09 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.87 2ddr n PRO 110 Cb 0.53 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 2ddr n PRO 110 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2ddr s ILE 111 N -0.08 5.25 -0.01 4.25 1.01 -1.26 -1.66 121.20 128.70 2ddr s ILE 111 Ca 0.65 -0.02 0.11 0.00 0.00 0.00 0.00 60.65 61.39 2ddr s ILE 111 Cb -0.55 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 2ddr s ILE 111 CO 0.50 0.03 1.33 0.00 0.00 0.00 0.00 174.94 176.80 2ddr h ALA 112 N 8.44 0.51 -2.75 9.38 0.00 -0.40 -3.46 119.26 130.98 2ddr h ALA 112 Ca -0.32 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 53.75 2ddr h ALA 112 Cb 1.16 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.60 2ddr h ALA 112 CO 0.63 0.97 -0.26 -2.00 0.00 0.00 0.00 179.25 178.59 2ddr s GLU 113 N -2.82 0.45 -0.12 0.00 2.12 -1.19 -4.96 118.70 112.18 2ddr s GLU 113 Ca 0.02 0.60 -0.00 0.00 0.36 0.00 0.00 54.97 55.95 2ddr s GLU 113 Cb 0.09 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.67 2ddr s GLU 113 CO 0.79 -0.08 -0.08 0.15 -0.54 0.00 0.00 175.26 175.49 2ddr s LYS 114 N 0.47 1.63 -0.02 4.30 1.02 -1.26 -1.73 119.74 124.15 2ddr s LYS 114 Ca -0.02 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2ddr s LYS 114 Cb -0.04 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 35.56 2ddr s LYS 114 CO -0.02 -0.28 -0.10 0.42 -0.92 0.00 0.00 175.35 174.45 2ddr s ILE 115 N 1.67 0.81 0.04 2.17 1.01 -0.31 -0.02 121.20 126.56 2ddr s ILE 115 Ca 0.05 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2ddr s ILE 115 Cb -0.13 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2ddr s ILE 115 CO -0.09 0.24 -0.14 0.00 0.00 0.00 0.00 174.94 174.95 2ddr s GLN 116 N -0.00 2.20 -0.04 2.79 -2.07 -0.85 -0.02 119.66 121.66 2ddr s GLN 116 Ca 0.00 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.62 2ddr s GLN 116 Cb -0.07 -2.28 0.03 0.00 -1.09 0.00 0.00 33.01 29.60 2ddr s GLN 116 CO 0.00 0.55 0.01 -0.47 -1.32 0.00 0.00 175.29 174.07 2ddr s TYR 117 N -0.96 0.37 -0.23 9.60 5.04 -0.00 -0.55 117.35 130.61 2ddr s TYR 117 Ca 0.16 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.70 2ddr s TYR 117 Cb -0.11 -0.54 -0.05 0.00 0.35 0.00 0.00 41.96 41.62 2ddr s TYR 117 CO 0.06 -0.20 0.14 0.08 -1.34 0.00 0.00 175.55 174.29 2ddr s VAL 118 N 1.53 5.24 0.51 3.14 1.01 -0.53 -0.45 120.40 130.86 2ddr s VAL 118 Ca -0.03 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 2ddr s VAL 118 Cb -0.13 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2ddr s VAL 118 CO -0.03 0.37 1.13 0.49 0.00 0.00 0.00 175.10 177.07 2ddr n PHE 119 N 4.11 1.52 -0.03 5.22 0.99 0.14 -1.56 117.46 127.85 2ddr n PHE 119 Ca -0.15 0.47 -0.09 0.00 -0.00 0.00 0.00 57.45 57.68 2ddr n PHE 119 Cb 0.52 -2.26 0.06 0.00 -1.00 0.00 0.00 39.48 36.80 2ddr n PHE 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ddr h ALA 120 N 1.26 0.74 -2.32 4.37 0.00 -1.95 -3.39 119.26 117.97 2ddr h ALA 120 Ca -0.48 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 53.82 2ddr h ALA 120 Cb 1.33 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2ddr h ALA 120 CO 0.55 0.66 -0.65 0.15 0.00 0.00 0.00 179.25 179.96 2ddr s LYS 121 N -4.19 0.74 0.13 0.00 1.02 -1.26 -4.98 119.74 111.19 2ddr s LYS 121 Ca -0.08 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.62 2ddr s LYS 121 Cb 0.12 0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 37.65 2ddr s LYS 121 CO 0.84 -0.17 0.15 0.41 -0.92 0.00 0.00 175.35 175.66 2ddr n GLY 122 N 0.03 3.08 0.30 -3.33 0.00 -1.26 -4.92 105.19 99.09 2ddr n GLY 122 Ca -0.11 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 2ddr n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddr s GLY 124 N -3.34 1.66 0.32 0.00 0.00 -1.26 -4.28 107.32 100.41 2ddr s GLY 124 Ca -0.12 -0.01 0.26 0.00 0.00 0.00 0.00 44.72 44.84 2ddr s GLY 124 CO 0.83 0.31 1.74 -0.56 0.00 0.00 0.00 173.10 175.42 2ddr h PRO 125 N -0.67 0.00 -6.56 2.90 0.13 -1.94 -3.45 132.00 122.40 2ddr h PRO 125 Ca -0.44 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 2ddr h PRO 125 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2ddr h PRO 125 CO 0.59 0.00 -0.77 -0.51 -0.23 0.00 0.00 178.00 177.07 2ddr s ASP 126 N -5.06 3.93 -0.57 1.44 1.01 -1.26 -5.04 116.67 111.12 2ddr s ASP 126 Ca 0.07 -0.65 -0.24 0.00 0.71 0.00 0.00 52.55 52.45 2ddr s ASP 126 Cb 0.09 -0.55 0.05 0.00 1.01 0.00 0.00 42.92 43.53 2ddr s ASP 126 CO 0.58 0.13 0.93 0.21 0.21 0.00 0.00 175.17 177.22 2ddr s ASN 127 N -2.61 6.30 0.00 0.27 2.47 -1.26 -4.86 114.94 115.26 2ddr s ASN 127 Ca 0.22 -0.51 0.12 0.00 0.42 0.00 0.00 52.86 53.11 2ddr s ASN 127 Cb -0.09 -2.42 0.20 0.00 -1.45 0.00 0.00 41.25 37.49 2ddr s ASN 127 CO 0.12 -1.25 1.06 0.18 -3.72 0.00 0.00 177.10 173.49 2ddr n LEU 128 N 7.44 2.44 -0.07 3.21 4.77 -1.26 -4.73 117.00 128.80 2ddr n LEU 128 Ca 0.00 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2ddr n LEU 128 Cb 0.47 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2ddr n LEU 128 CO 0.63 0.55 0.10 -0.24 -1.33 0.00 0.00 177.39 177.09 2ddr n SER 129 N 0.62 0.00 -4.19 -1.43 2.88 -1.26 -3.17 113.62 107.07 2ddr n SER 129 Ca 0.09 -1.04 -0.35 0.00 -1.33 0.00 0.00 58.87 56.24 2ddr n SER 129 Cb 0.36 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 2ddr n SER 129 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ddr n ASN 130 N 0.00 -2.73 -4.75 -3.46 3.02 -1.26 -1.17 115.26 104.91 2ddr n ASN 130 Ca 0.00 -1.02 -0.36 0.00 -0.03 0.00 0.00 54.58 53.17 2ddr n ASN 130 Cb 0.51 -2.75 0.03 0.00 -0.61 0.00 0.00 39.78 36.96 2ddr n ASN 130 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ddr s LYS 131 N -6.90 3.00 0.00 3.52 -0.14 -1.26 -3.74 119.74 114.22 2ddr s LYS 131 Ca 0.61 1.83 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 2ddr s LYS 131 Cb -0.34 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.87 2ddr s LYS 131 CO 0.93 -1.19 0.00 0.41 -0.76 0.00 0.00 175.35 174.74 2ddr n GLY 132 N 0.51 -0.78 3.15 -3.33 0.00 -1.26 -0.68 105.19 102.80 2ddr n GLY 132 Ca 0.13 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2ddr n GLY 132 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ddr s PHE 133 N -4.00 0.54 -0.12 1.61 -0.12 0.41 -3.65 117.98 112.65 2ddr s PHE 133 Ca 0.00 -1.00 0.03 0.00 -0.05 0.00 0.00 56.93 55.91 2ddr s PHE 133 Cb 0.00 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 2ddr s PHE 133 CO 0.00 -0.48 -0.22 0.08 -0.05 0.00 0.00 175.22 174.55 2ddr s VAL 134 N -3.95 2.18 -0.11 -2.49 1.01 0.23 -0.82 120.40 116.46 2ddr s VAL 134 Ca 0.12 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2ddr s VAL 134 Cb 0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2ddr s VAL 134 CO -0.06 0.55 -0.03 -0.47 0.00 0.00 0.00 175.10 175.09 2ddr s TYR 135 N 0.54 3.04 0.01 5.22 5.04 0.97 -0.74 117.35 131.43 2ddr s TYR 135 Ca -0.13 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2ddr s TYR 135 Cb -0.17 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 2ddr s TYR 135 CO 0.04 0.24 -0.07 0.95 -1.34 0.00 0.00 175.55 175.37 2ddr s THR 136 N -0.40 0.55 -0.23 4.34 -4.23 -0.27 -1.17 115.64 114.23 2ddr s THR 136 Ca 0.07 -0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2ddr s THR 136 Cb -0.12 -0.50 -0.00 0.00 1.34 0.00 0.00 72.50 73.22 2ddr s THR 136 CO 0.02 0.02 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.34 2ddr s LYS 137 N -0.52 3.28 -0.05 3.99 2.20 -0.71 -1.34 119.74 126.59 2ddr s LYS 137 Ca -0.00 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 2ddr s LYS 137 Cb -0.04 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2ddr s LYS 137 CO 0.00 -0.24 -0.24 0.42 -0.36 0.00 0.00 175.35 174.92 2ddr s ILE 138 N 1.46 1.98 -0.61 5.43 1.01 0.39 0.42 121.20 131.28 2ddr s ILE 138 Ca 0.05 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 2ddr s ILE 138 Cb -0.15 -1.66 0.09 0.00 0.01 0.00 0.00 42.46 40.74 2ddr s ILE 138 CO -0.03 0.55 0.80 -0.75 0.00 0.00 0.00 174.94 175.51 2ddr s LYS 139 N -0.26 3.09 -0.44 2.79 2.47 -0.66 -0.29 119.74 126.43 2ddr s LYS 139 Ca -0.00 -1.07 -0.11 0.00 -1.56 0.00 0.00 55.97 53.23 2ddr s LYS 139 Cb -0.12 -4.23 0.08 0.00 -1.46 0.00 0.00 37.83 32.09 2ddr s LYS 139 CO 0.02 -1.61 0.31 0.21 0.16 0.00 0.00 175.35 174.44 2ddr s LYS 140 N 3.23 2.74 -0.69 4.03 2.47 0.26 -4.21 119.74 127.56 2ddr s LYS 140 Ca 0.16 -1.42 -0.11 0.00 -1.56 0.00 0.00 55.97 53.05 2ddr s LYS 140 Cb -0.21 -3.91 0.02 0.00 -1.46 0.00 0.00 37.83 32.27 2ddr s LYS 140 CO 0.09 -0.98 0.63 0.09 0.16 0.00 0.00 175.35 175.34 2ddr n ASN 141 N 5.02 -5.72 0.00 1.43 3.02 -1.26 -1.23 115.26 116.51 2ddr n ASN 141 Ca -0.11 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2ddr n ASN 141 Cb 0.43 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 2ddr n ASN 141 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ddr n ASP 142 N -1.70 -4.16 -4.15 6.41 8.00 -1.26 -4.93 116.55 114.76 2ddr n ASP 142 Ca -0.18 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.05 2ddr n ASP 142 Cb 0.64 -3.00 -0.16 0.00 -0.02 0.00 0.00 41.12 38.58 2ddr n ASP 142 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2ddr s ARG 143 N -1.60 2.02 -0.20 -1.24 3.52 -0.37 -5.12 118.95 115.96 2ddr s ARG 143 Ca 0.00 -0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 54.76 2ddr s ARG 143 Cb 0.00 -1.70 -0.03 0.00 -1.56 0.00 0.00 34.95 31.66 2ddr s ARG 143 CO 0.00 0.23 0.50 -0.06 -0.81 0.00 0.00 175.30 175.16 2ddr s PHE 144 N 0.12 3.36 0.21 5.12 0.40 -1.26 0.90 117.98 126.83 2ddr s PHE 144 Ca -0.07 0.74 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 2ddr s PHE 144 Cb -0.13 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 2ddr s PHE 144 CO 0.03 -0.10 -0.11 0.14 0.70 0.00 0.00 175.22 175.88 2ddr s VAL 145 N 1.64 3.05 -0.12 -0.44 -7.23 0.60 -4.39 120.40 113.50 2ddr s VAL 145 Ca 0.23 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2ddr s VAL 145 Cb -0.15 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2ddr s VAL 145 CO 0.09 -0.19 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.50 2ddr s HIS 146 N -1.89 2.40 -0.11 2.82 0.09 0.13 -0.46 115.29 118.27 2ddr s HIS 146 Ca 0.26 -1.16 0.02 0.00 -0.00 0.00 0.00 55.06 54.17 2ddr s HIS 146 Cb -0.08 -1.66 0.02 0.00 -0.00 0.00 0.00 32.58 30.86 2ddr s HIS 146 CO 0.15 -0.54 -0.15 0.08 -0.00 0.00 0.00 174.74 174.28 2ddr s VAL 147 N 0.82 1.49 -0.18 -0.90 1.01 -0.45 -0.41 120.40 121.78 2ddr s VAL 147 Ca -0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2ddr s VAL 147 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2ddr s VAL 147 CO -0.01 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.84 2ddr s ILE 148 N 1.04 3.41 -0.09 2.22 1.01 0.54 -1.12 121.20 128.21 2ddr s ILE 148 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2ddr s ILE 148 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2ddr s ILE 148 CO -0.02 0.47 -0.07 -0.83 0.00 0.00 0.00 174.94 174.48 2ddr s GLY 149 N 0.87 1.67 0.31 6.18 0.00 0.08 -0.25 107.32 116.19 2ddr s GLY 149 Ca -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 2ddr s GLY 149 CO 0.01 -0.51 0.48 -1.08 0.00 0.00 0.00 173.10 172.00 2ddr s THR 150 N -0.45 0.00 -0.24 0.90 -1.32 0.01 -0.60 115.64 113.93 2ddr s THR 150 Ca 0.07 -1.52 -0.03 0.00 -1.21 0.00 0.00 61.69 58.99 2ddr s THR 150 Cb -0.12 -2.52 0.13 0.00 -1.51 0.00 0.00 72.50 68.48 2ddr s THR 150 CO 0.02 0.00 0.39 -2.28 -2.21 0.00 0.00 174.62 170.55 2ddr s HIS 151 N -3.36 -0.87 0.53 9.09 2.46 -1.24 -3.00 115.29 118.91 2ddr s HIS 151 Ca 0.27 0.93 -0.03 0.00 0.47 0.00 0.00 55.06 56.70 2ddr s HIS 151 Cb -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2ddr s HIS 151 CO 0.16 -0.72 0.81 -0.51 -2.47 0.00 0.00 174.74 172.01 2ddr s LEU 152 N 2.57 3.41 0.05 8.88 1.43 -0.55 -4.50 118.68 129.98 2ddr s LEU 152 Ca 0.12 0.55 -0.38 0.00 -1.03 0.00 0.00 54.13 53.40 2ddr s LEU 152 Cb -0.15 -3.40 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 2ddr s LEU 152 CO -0.16 -0.90 1.26 1.67 0.23 0.00 0.00 176.35 178.44 2ddr n GLN 153 N -2.37 0.78 -2.44 1.70 -0.06 -1.26 -4.71 117.38 109.01 2ddr n GLN 153 Ca 0.03 0.28 -0.28 0.00 -2.00 0.00 0.00 57.00 55.04 2ddr n GLN 153 Cb 0.57 -1.88 0.01 0.00 -4.06 0.00 0.00 30.24 24.89 2ddr n GLN 153 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ddr s ALA 154 N 0.36 3.32 0.17 1.69 0.00 -1.26 -4.77 121.76 121.26 2ddr s ALA 154 Ca 0.87 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 52.01 2ddr s ALA 154 Cb -1.06 -2.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 2ddr s ALA 154 CO 0.50 -0.55 1.60 -2.00 0.00 0.00 0.00 175.76 175.31 2ddr s GLU 155 N -4.89 4.20 -0.11 0.00 2.56 -1.26 -4.90 118.70 114.30 2ddr s GLU 155 Ca 0.51 2.40 -0.15 0.00 0.00 0.00 0.00 54.97 57.73 2ddr s GLU 155 Cb -0.10 -3.16 0.04 0.00 2.00 0.00 0.00 34.13 32.90 2ddr s GLU 155 CO 0.46 -0.64 0.38 0.34 -0.56 0.00 0.00 175.26 175.25 2ddr s ASP 156 N 1.21 -0.37 -0.02 -1.70 2.15 -1.26 -5.06 116.67 111.62 2ddr s ASP 156 Ca 0.71 0.61 -0.22 0.00 0.43 0.00 0.00 52.55 54.08 2ddr s ASP 156 Cb -0.45 0.67 -0.22 0.00 -0.30 0.00 0.00 42.92 42.62 2ddr s ASP 156 CO 0.31 -0.24 1.10 0.28 -0.17 0.00 0.00 175.17 176.46 2ddr h SER 157 N 5.00 0.34 0.00 -0.34 0.02 -2.01 -3.33 113.55 113.23 2ddr h SER 157 Ca -0.27 -0.72 -0.34 0.00 -0.84 0.00 0.00 61.79 59.61 2ddr h SER 157 Cb 1.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2ddr h SER 157 CO 0.30 1.02 1.49 0.23 -1.14 0.00 0.00 176.83 178.72 2ddr n MET 158 N -4.43 2.31 -0.76 3.45 2.81 -1.26 -4.37 117.12 114.88 2ddr n MET 158 Ca -0.09 -1.33 0.06 0.00 -1.81 0.00 0.00 57.70 54.52 2ddr n MET 158 Cb 0.53 -2.27 0.35 0.00 -0.71 0.00 0.00 33.22 31.12 2ddr n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ddr n GLY 160 N 0.58 2.90 0.10 0.00 0.00 -1.26 -2.97 105.19 104.54 2ddr n GLY 160 Ca 0.24 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2ddr n GLY 160 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ddr h LYS 161 N 0.00 0.21 -6.78 1.61 -0.00 -1.96 -3.46 116.57 106.19 2ddr h LYS 161 Ca 0.00 -0.37 -0.48 0.00 -0.00 0.00 0.00 60.65 59.80 2ddr h LYS 161 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 32.23 32.34 2ddr h LYS 161 CO 0.00 1.15 0.15 0.95 -0.00 0.00 0.00 179.45 181.70 2ddr s THR 162 N -2.66 4.60 0.38 0.07 -4.23 -1.16 -5.08 115.64 107.58 2ddr s THR 162 Ca -0.04 1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 61.52 2ddr s THR 162 Cb 0.08 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 2ddr s THR 162 CO 0.87 -0.18 0.67 -0.94 -0.54 0.00 0.00 174.62 174.50 2ddr s SER 163 N -2.20 6.37 0.32 3.99 1.04 -1.26 -4.62 113.70 117.35 2ddr s SER 163 Ca 0.55 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.81 2ddr s SER 163 Cb -0.11 -2.19 0.63 0.00 0.10 0.00 0.00 66.02 64.46 2ddr s SER 163 CO 0.17 -0.38 1.91 -0.65 0.98 0.00 0.00 173.24 175.27 2ddr h PRO 164 N 0.94 0.88 -0.72 4.02 0.11 -1.90 -1.64 132.00 133.69 2ddr h PRO 164 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2ddr h PRO 164 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2ddr h PRO 164 CO 0.63 0.58 0.26 0.00 -0.21 0.00 0.00 178.00 179.27 2ddr h ALA 165 N 1.55 0.94 -0.38 -0.75 0.00 -1.94 -0.19 119.26 118.49 2ddr h ALA 165 Ca 0.39 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ddr h ALA 165 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ddr h ALA 165 CO -0.16 0.58 -0.17 0.66 0.00 0.00 0.00 179.25 180.16 2ddr h SER 166 N 1.04 0.72 -0.33 0.00 4.64 -1.72 -1.10 113.55 116.80 2ddr h SER 166 Ca 0.24 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2ddr h SER 166 Cb 0.25 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ddr h SER 166 CO -0.02 0.90 -0.04 0.58 -0.87 0.00 0.00 176.83 177.38 2ddr h VAL 167 N 0.64 1.27 -0.88 0.95 2.07 -0.97 -2.22 116.25 117.11 2ddr h VAL 167 Ca 0.10 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2ddr h VAL 167 Cb 0.65 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2ddr h VAL 167 CO 0.05 0.34 0.50 0.03 0.02 0.00 0.00 177.57 178.50 2ddr h ARG 168 N 0.39 1.21 -0.62 1.57 3.08 -0.80 -0.84 114.38 118.37 2ddr h ARG 168 Ca 0.09 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2ddr h ARG 168 Cb 0.51 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2ddr h ARG 168 CO 0.02 0.87 0.18 1.15 -1.07 0.00 0.00 179.97 181.13 2ddr h THR 169 N 1.22 1.24 -0.29 2.04 2.02 -1.07 0.71 112.91 118.78 2ddr h THR 169 Ca 0.31 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.56 2ddr h THR 169 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2ddr h THR 169 CO -0.05 0.32 -0.24 -1.13 0.37 0.00 0.00 175.52 174.79 2ddr h ASN 170 N 0.92 0.57 -0.22 4.18 -0.73 -0.73 0.21 115.58 119.76 2ddr h ASN 170 Ca 0.20 -0.19 -0.20 0.00 1.87 0.00 0.00 56.30 57.98 2ddr h ASN 170 Cb 0.28 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2ddr h ASN 170 CO -0.01 0.80 -0.62 1.56 -0.37 0.00 0.00 177.43 178.79 2ddr h GLN 171 N 0.50 0.84 -0.26 6.67 4.20 -0.62 -2.20 115.11 124.23 2ddr h GLN 171 Ca 0.07 -0.58 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 2ddr h GLN 171 Cb 0.68 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2ddr h GLN 171 CO 0.05 1.20 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.24 2ddr h LEU 172 N 0.62 0.41 -0.69 1.46 3.38 -0.60 -2.18 115.31 117.71 2ddr h LEU 172 Ca -0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2ddr h LEU 172 Cb 1.23 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2ddr h LEU 172 CO 0.13 0.55 0.11 0.50 0.09 0.00 0.00 178.44 179.82 2ddr h LYS 173 N 0.40 1.12 -0.42 1.13 3.64 -0.69 -1.57 116.57 120.18 2ddr h LYS 173 Ca 0.08 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2ddr h LYS 173 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2ddr h LYS 173 CO 0.02 1.02 -0.00 0.93 -2.27 0.00 0.00 179.45 179.15 2ddr h GLU 174 N 1.04 0.68 -0.18 1.90 5.08 -0.82 0.33 114.58 122.60 2ddr h GLU 174 Ca 0.21 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2ddr h GLU 174 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2ddr h GLU 174 CO 0.01 0.69 0.01 0.82 -1.00 0.00 0.00 179.01 179.55 2ddr h ILE 175 N 0.64 1.24 -0.62 3.13 2.04 -1.00 -1.40 117.51 121.54 2ddr h ILE 175 Ca 0.13 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2ddr h ILE 175 Cb 0.40 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2ddr h ILE 175 CO 0.02 0.24 0.28 -0.61 0.00 0.00 0.00 178.15 178.08 2ddr h GLN 176 N 0.08 0.90 -0.84 2.37 -0.00 -1.04 -1.33 115.11 115.25 2ddr h GLN 176 Ca 0.05 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.56 2ddr h GLN 176 Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 27.63 2ddr h GLN 176 CO 0.01 0.74 0.51 -0.44 0.00 0.00 0.00 178.83 179.65 2ddr h ASP 177 N 0.85 1.01 -0.27 -0.69 3.45 -0.85 -1.06 116.42 118.86 2ddr h ASP 177 Ca 0.21 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.57 2ddr h ASP 177 Cb 0.15 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 2ddr h ASP 177 CO -0.02 0.77 -0.02 0.15 -1.57 0.00 0.00 179.24 178.55 2ddr h PHE 178 N 1.16 0.53 -0.46 4.55 3.57 -0.77 -1.76 116.94 123.75 2ddr h PHE 178 Ca 0.30 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2ddr h PHE 178 Cb -0.06 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2ddr h PHE 178 CO 0.00 0.65 0.28 0.82 -2.23 0.00 0.00 178.31 177.84 2ddr h ILE 179 N 0.25 1.06 -0.21 1.41 2.04 -0.85 -1.28 117.51 119.93 2ddr h ILE 179 Ca 0.07 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2ddr h ILE 179 Cb 0.45 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2ddr h ILE 179 CO 0.02 0.10 0.12 0.50 0.00 0.00 0.00 178.15 178.89 2ddr h LYS 180 N 0.57 0.29 0.00 2.37 3.64 -1.15 -2.69 116.57 119.60 2ddr h LYS 180 Ca 0.18 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2ddr h LYS 180 Cb -0.00 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2ddr h LYS 180 CO -0.08 0.25 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.25 2ddr h ASN 181 N 0.25 0.00 0.83 4.20 -0.00 -1.05 -2.93 115.58 116.88 2ddr h ASN 181 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 2ddr h ASN 181 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 2ddr h ASN 181 CO -0.01 0.14 0.00 0.50 -0.00 0.00 0.00 177.43 178.05 2ddr h LYS 182 N 0.00 0.00 -5.81 6.67 1.63 -0.88 -3.47 116.57 114.71 2ddr h LYS 182 Ca -0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 2ddr h LYS 182 Cb 0.33 0.00 0.13 0.00 -0.60 0.00 0.00 32.23 32.09 2ddr h LYS 182 CO 0.02 0.00 -0.79 -1.71 -3.45 0.00 0.00 179.45 173.52 2ddr n ASN 183 N -2.93 -1.77 -4.74 4.20 4.05 -1.11 -4.95 115.26 108.02 2ddr n ASN 183 Ca 0.00 -0.69 -0.41 0.00 0.45 0.00 0.00 54.58 53.93 2ddr n ASN 183 Cb 0.26 -4.74 -0.04 0.00 1.23 0.00 0.00 39.78 36.48 2ddr n ASN 183 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2ddr s ILE 184 N -3.47 4.16 0.35 -1.44 1.01 -1.26 -4.97 121.20 115.57 2ddr s ILE 184 Ca 0.01 1.87 -0.26 0.00 0.00 0.00 0.00 60.65 62.27 2ddr s ILE 184 Cb -0.00 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.14 2ddr s ILE 184 CO 0.76 0.32 0.83 -2.65 0.00 0.00 0.00 174.94 174.20 2ddr n PRO 185 N 2.44 1.00 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.11 2ddr n PRO 185 Ca 0.02 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 2ddr n PRO 185 Cb 0.48 -1.71 0.51 0.00 -0.02 0.00 0.00 33.50 32.76 2ddr n PRO 185 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ddr n ASN 186 N 1.16 0.00 -1.11 2.55 2.04 -1.26 -2.71 115.26 115.92 2ddr n ASN 186 Ca 0.11 0.05 0.09 0.00 -0.44 0.00 0.00 54.58 54.39 2ddr n ASN 186 Cb 0.35 -0.31 0.27 0.00 -2.53 0.00 0.00 39.78 37.55 2ddr n ASN 186 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2ddr n ASN 187 N -1.31 3.68 -4.59 0.53 6.94 -1.26 -1.85 115.26 117.40 2ddr n ASN 187 Ca 0.09 -2.08 -0.30 0.00 -0.02 0.00 0.00 54.58 52.27 2ddr n ASN 187 Cb 0.18 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.09 2ddr n ASN 187 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2ddr s GLU 188 N -1.15 2.24 0.04 -3.83 2.02 -1.10 -4.64 118.70 112.29 2ddr s GLU 188 Ca 0.40 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 2ddr s GLU 188 Cb 0.22 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2ddr s GLU 188 CO 0.25 0.53 0.98 0.71 0.02 0.00 0.00 175.26 177.76 2ddr s TYR 189 N -1.18 3.70 -0.21 1.61 2.02 -1.26 -1.35 117.35 120.69 2ddr s TYR 189 Ca 0.21 1.72 0.01 0.00 -0.37 0.00 0.00 57.07 58.64 2ddr s TYR 189 Cb -0.11 -3.11 0.05 0.00 -0.40 0.00 0.00 41.96 38.38 2ddr s TYR 189 CO 0.13 0.01 -0.10 0.08 -1.57 0.00 0.00 175.55 174.10 2ddr s VAL 190 N 0.64 1.69 -0.01 0.71 1.01 -1.26 -0.69 120.40 122.49 2ddr s VAL 190 Ca 0.50 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2ddr s VAL 190 Cb -0.22 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2ddr s VAL 190 CO 0.29 0.13 -0.09 -0.76 0.00 0.00 0.00 175.10 174.67 2ddr s LEU 191 N 1.36 3.06 -0.12 3.92 1.43 0.46 -0.84 118.68 127.95 2ddr s LEU 191 Ca -0.02 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2ddr s LEU 191 Cb -0.17 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2ddr s LEU 191 CO -0.08 0.30 -0.18 -0.63 0.23 0.00 0.00 176.35 175.99 2ddr s ILE 192 N -0.92 1.75 0.11 -0.59 1.09 0.25 -0.34 121.20 122.54 2ddr s ILE 192 Ca 0.15 -0.79 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 2ddr s ILE 192 Cb -0.11 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 2ddr s ILE 192 CO 0.05 0.49 0.18 -0.83 -0.10 0.00 0.00 174.94 174.73 2ddr s GLY 193 N 0.90 0.29 0.00 6.18 0.00 0.66 -0.99 107.32 114.35 2ddr s GLY 193 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2ddr s GLY 193 CO -0.01 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.78 2ddr n GLY 194 N -0.08 0.91 3.49 0.20 0.00 -0.20 -0.81 105.19 108.70 2ddr n GLY 194 Ca -0.12 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2ddr n GLY 194 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ddr s ASP 195 N -4.00 6.24 0.16 1.61 3.68 -1.16 -1.76 116.67 121.43 2ddr s ASP 195 Ca 0.00 -0.69 0.26 0.00 2.13 0.00 0.00 52.55 54.24 2ddr s ASP 195 Cb 0.00 -2.44 0.70 0.00 -1.45 0.00 0.00 42.92 39.73 2ddr s ASP 195 CO 0.00 -1.39 1.65 0.23 0.13 0.00 0.00 175.17 175.79 2ddr n MET 196 N 7.74 0.24 -2.56 4.34 2.81 -0.41 -1.48 117.12 127.81 2ddr n MET 196 Ca -0.01 0.15 -0.19 0.00 -1.81 0.00 0.00 57.70 55.85 2ddr n MET 196 Cb 0.47 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2ddr n MET 196 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2ddr n ASN 197 N -2.14 -5.19 -4.22 7.83 3.02 -1.18 -4.55 115.26 108.85 2ddr n ASN 197 Ca 0.05 -0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2ddr n ASN 197 Cb 0.42 -4.32 -0.15 0.00 -0.61 0.00 0.00 39.78 35.12 2ddr n ASN 197 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ddr s VAL 198 N -2.92 2.60 -0.19 2.41 1.01 -1.26 -4.85 120.40 117.20 2ddr s VAL 198 Ca 0.07 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2ddr s VAL 198 Cb -0.03 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2ddr s VAL 198 CO 0.09 0.50 0.63 0.21 0.00 0.00 0.00 175.10 176.52 2ddr s ASN 199 N 1.19 6.70 0.17 3.32 2.47 -1.25 -4.19 114.94 123.35 2ddr s ASN 199 Ca 0.02 0.85 0.16 0.00 0.42 0.00 0.00 52.86 54.31 2ddr s ASN 199 Cb -0.14 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 2ddr s ASN 199 CO -0.06 -0.26 1.14 0.50 -3.72 0.00 0.00 177.10 174.70 2ddr h LYS 200 N 7.42 0.00 -6.36 0.43 3.64 -1.79 -3.41 116.57 116.49 2ddr h LYS 200 Ca -0.32 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.46 2ddr h LYS 200 Cb 1.15 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2ddr h LYS 200 CO 0.77 0.39 1.02 -0.89 -2.27 0.00 0.00 179.45 178.47 2ddr n ILE 201 N -3.05 0.40 -1.22 2.00 5.41 -1.26 -1.13 119.36 120.52 2ddr n ILE 201 Ca -0.04 -0.07 -0.07 0.00 1.00 0.00 0.00 62.75 63.57 2ddr n ILE 201 Cb 0.78 -1.81 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 2ddr n ILE 201 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2ddr n ASN 202 N 5.66 -4.65 0.00 4.38 3.02 -1.26 -4.81 115.26 117.60 2ddr n ASN 202 Ca 0.21 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2ddr n ASN 202 Cb 0.30 -2.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 2ddr n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ddr n ALA 203 N 1.14 1.11 -0.08 5.41 0.00 -0.28 -4.85 120.51 122.96 2ddr n ALA 203 Ca -0.07 -0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.25 2ddr n ALA 203 Cb 0.37 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.37 2ddr n ALA 203 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ddr h GLU 204 N 0.00 0.30 -0.32 0.00 4.81 -1.82 -2.06 114.58 115.49 2ddr h GLU 204 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ddr h GLU 204 Cb 0.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2ddr h GLU 204 CO 0.00 0.20 0.00 0.09 -0.73 0.00 0.00 179.01 178.57 2ddr n ASN 205 N -4.45 2.97 -4.43 1.04 3.02 -1.26 -4.89 115.26 107.26 2ddr n ASN 205 Ca 0.11 -1.88 -0.44 0.00 -0.03 0.00 0.00 54.58 52.34 2ddr n ASN 205 Cb 0.47 -0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 2ddr n ASN 205 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ddr s ASN 206 N -1.14 6.18 0.00 6.41 3.84 -0.77 -4.94 114.94 124.52 2ddr s ASN 206 Ca 0.28 -1.02 0.13 0.00 0.21 0.00 0.00 52.86 52.47 2ddr s ASN 206 Cb 0.16 -2.23 0.74 0.00 -0.55 0.00 0.00 41.25 39.37 2ddr s ASN 206 CO 0.22 -0.70 1.30 0.59 -2.79 0.00 0.00 177.10 175.72 2ddr n ASN 207 N 5.62 0.00 -0.42 -4.21 3.02 -1.26 -2.35 115.26 115.66 2ddr n ASN 207 Ca -0.09 -0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.39 2ddr n ASN 207 Cb 0.45 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 2ddr n ASN 207 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ddr n ASP 208 N -1.16 1.81 -4.76 6.41 9.92 -1.26 -4.69 116.55 122.82 2ddr n ASP 208 Ca 0.08 -1.40 -0.31 0.00 -0.53 0.00 0.00 54.79 52.63 2ddr n ASP 208 Cb 0.08 0.16 0.10 0.00 -0.64 0.00 0.00 41.12 40.82 2ddr n ASP 208 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2ddr s SER 209 N -1.21 4.26 0.35 -2.24 1.04 -0.99 -4.85 113.70 110.06 2ddr s SER 209 Ca 0.13 1.69 0.04 0.00 0.48 0.00 0.00 55.95 58.29 2ddr s SER 209 Cb 0.10 -2.39 0.66 0.00 0.10 0.00 0.00 66.02 64.49 2ddr s SER 209 CO 0.21 -2.17 1.95 -0.08 0.98 0.00 0.00 173.24 174.12 2ddr h GLU 210 N -1.22 0.62 -0.06 4.02 4.81 -1.91 -1.08 114.58 119.75 2ddr h GLU 210 Ca -0.45 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2ddr h GLU 210 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2ddr h GLU 210 CO 0.53 0.52 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.30 2ddr h TYR 211 N 0.62 -0.26 -0.49 0.92 3.20 -1.91 -0.94 116.97 118.11 2ddr h TYR 211 Ca 0.15 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2ddr h TYR 211 Cb 0.13 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2ddr h TYR 211 CO 0.01 -0.16 0.11 0.00 -1.64 0.00 0.00 178.16 176.48 2ddr h ALA 212 N 0.88 1.27 0.00 1.82 0.00 -1.60 -2.54 119.26 119.10 2ddr h ALA 212 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2ddr h ALA 212 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ddr h ALA 212 CO -0.15 0.51 -0.21 1.03 0.00 0.00 0.00 179.25 180.42 2ddr h SER 213 N 0.72 0.00 -0.45 0.00 0.87 -0.53 -2.94 113.55 111.22 2ddr h SER 213 Ca 0.16 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2ddr h SER 213 Cb 0.28 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2ddr h SER 213 CO -0.00 0.21 0.28 -0.03 -0.53 0.00 0.00 176.83 176.76 2ddr h MET 214 N 0.00 0.54 -0.21 2.24 -1.53 -0.74 -0.07 114.93 115.16 2ddr h MET 214 Ca -0.00 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.13 2ddr h MET 214 Cb 0.41 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 2ddr h MET 214 CO 0.03 0.36 -0.28 0.74 0.14 0.00 0.00 176.91 177.90 2ddr h PHE 215 N 0.55 0.46 -0.28 1.39 0.04 -1.61 -1.91 116.94 115.58 2ddr h PHE 215 Ca 0.18 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 2ddr h PHE 215 Cb -0.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2ddr h PHE 215 CO -0.06 0.65 -0.19 0.87 -0.60 0.00 0.00 178.31 178.98 2ddr h LYS 216 N 0.36 0.62 -0.53 1.51 1.57 -1.34 0.25 116.57 119.01 2ddr h LYS 216 Ca 0.05 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2ddr h LYS 216 Cb 0.68 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2ddr h LYS 216 CO 0.05 0.88 -0.12 1.15 -0.57 0.00 0.00 179.45 180.84 2ddr h THR 217 N 0.36 1.27 -0.00 -0.16 2.02 -0.90 -2.96 112.91 112.54 2ddr h THR 217 Ca 0.06 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2ddr h THR 217 Cb 0.72 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2ddr h THR 217 CO 0.05 0.45 -0.35 0.18 0.37 0.00 0.00 175.52 176.22 2ddr n LEU 218 N -4.16 0.41 -3.54 2.58 4.77 -0.73 -4.76 117.00 111.57 2ddr n LEU 218 Ca 0.01 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.90 2ddr n LEU 218 Cb 0.41 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2ddr n LEU 218 CO 0.45 0.10 0.11 0.59 -1.33 0.00 0.00 177.39 177.31 2ddr n ASN 219 N -1.43 -2.88 -4.60 -1.43 3.02 0.69 -4.74 115.26 103.89 2ddr n ASN 219 Ca 0.07 -0.65 -0.24 0.00 -0.03 0.00 0.00 54.58 53.73 2ddr n ASN 219 Cb 0.33 -4.86 -0.08 0.00 -0.61 0.00 0.00 39.78 34.56 2ddr n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ddr s ALA 220 N -3.40 3.06 0.39 5.41 0.00 -0.15 0.06 121.76 127.12 2ddr s ALA 220 Ca 0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.31 2ddr s ALA 220 Cb -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2ddr s ALA 220 CO 0.75 0.23 0.65 -1.54 0.00 0.00 0.00 175.76 175.85 2ddr s SER 221 N -3.64 6.33 -0.14 0.00 1.04 -0.60 -4.71 113.70 111.98 2ddr s SER 221 Ca 0.32 0.71 -0.21 0.00 0.48 0.00 0.00 55.95 57.25 2ddr s SER 221 Cb -0.05 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 2ddr s SER 221 CO 0.19 -0.38 0.60 -0.69 0.98 0.00 0.00 173.24 173.94 2ddr s VAL 222 N -2.42 5.08 0.65 5.02 1.01 -1.26 -4.41 120.40 124.08 2ddr s VAL 222 Ca 0.44 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 2ddr s VAL 222 Cb -0.10 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2ddr s VAL 222 CO 0.38 0.21 1.01 -2.16 0.00 0.00 0.00 175.10 174.53 2ddr s PRO 223 N 1.24 2.85 0.08 2.72 0.04 -1.26 -5.00 135.00 135.66 2ddr s PRO 223 Ca 0.30 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.27 2ddr s PRO 223 Cb -0.16 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2ddr s PRO 223 CO 0.12 -0.90 0.94 -1.54 0.04 0.00 0.00 177.00 175.67 2ddr s SER 224 N -4.34 7.43 -0.19 6.66 1.04 -0.15 -4.88 113.70 119.27 2ddr s SER 224 Ca 0.56 1.72 -0.09 0.00 0.48 0.00 0.00 55.95 58.62 2ddr s SER 224 Cb -0.11 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2ddr s SER 224 CO 0.48 -0.11 0.10 -0.31 0.98 0.00 0.00 173.24 174.39 2ddr s TYR 225 N 0.25 3.36 0.26 5.02 1.51 -1.26 -0.89 117.35 125.61 2ddr s TYR 225 Ca 0.47 0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2ddr s TYR 225 Cb -0.22 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 2ddr s TYR 225 CO 0.29 0.26 0.15 0.95 -1.11 0.00 0.00 175.55 176.09 2ddr s THR 226 N 0.29 0.22 0.00 -0.71 -4.23 -0.63 -4.97 115.64 105.60 2ddr s THR 226 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2ddr s THR 226 Cb -0.12 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2ddr s THR 226 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2ddr n GLY 227 N -0.46 -0.72 3.71 3.99 0.00 -1.26 -1.94 105.19 108.51 2ddr n GLY 227 Ca 0.02 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2ddr n GLY 227 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ddr s HIS 228 N 0.00 1.96 -2.28 1.61 5.65 -0.40 -4.81 115.29 117.02 2ddr s HIS 228 Ca 0.00 1.64 0.23 0.00 0.25 0.00 0.00 55.06 57.18 2ddr s HIS 228 Cb 0.00 -3.43 0.93 0.00 -1.18 0.00 0.00 32.58 28.90 2ddr s HIS 228 CO 0.00 -2.64 1.65 0.25 -0.65 0.00 0.00 174.74 173.35 2ddr n THR 229 N -3.11 0.12 -3.69 0.89 -2.24 -1.26 -4.50 114.28 100.49 2ddr n THR 229 Ca 0.13 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2ddr n THR 229 Cb 0.51 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 2ddr n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ddr s ALA 230 N -1.88 -1.06 -0.34 6.98 0.00 -1.26 -4.74 121.76 119.46 2ddr s ALA 230 Ca 0.34 0.59 0.17 0.00 0.00 0.00 0.00 51.96 53.06 2ddr s ALA 230 Cb 0.18 0.06 -0.23 0.00 0.00 0.00 0.00 23.12 23.14 2ddr s ALA 230 CO 0.28 -0.29 0.51 0.25 0.00 0.00 0.00 175.76 176.51 2ddr n THR 231 N 1.15 0.00 -3.73 0.00 -2.24 -0.10 -4.76 114.28 104.60 2ddr n THR 231 Ca -0.21 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 2ddr n THR 231 Cb 0.56 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 2ddr n THR 231 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2ddr s TRP 232 N -2.91 1.62 -0.25 4.78 -0.00 -0.66 0.11 118.94 121.63 2ddr s TRP 232 Ca -0.01 -1.63 -0.02 0.00 -0.00 0.00 0.00 56.10 54.43 2ddr s TRP 232 Cb 0.11 -1.62 0.08 0.00 -0.00 0.00 0.00 33.47 32.04 2ddr s TRP 232 CO 0.69 -0.85 0.07 0.34 -0.00 0.00 0.00 176.95 177.20 2ddr s ASP 233 N 1.65 3.34 0.00 5.86 2.15 -1.26 -0.51 116.67 127.89 2ddr s ASP 233 Ca 0.08 -1.14 0.17 0.00 0.43 0.00 0.00 52.55 52.09 2ddr s ASP 233 Cb -0.17 -0.62 0.74 0.00 -0.30 0.00 0.00 42.92 42.57 2ddr s ASP 233 CO -0.24 -0.36 1.52 0.00 -0.17 0.00 0.00 175.17 175.92 2ddr n ALA 234 N 5.03 1.80 1.08 3.66 0.00 -1.26 -0.55 120.51 130.27 2ddr n ALA 234 Ca -0.06 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2ddr n ALA 234 Cb 0.45 -1.27 0.40 0.00 0.00 0.00 0.00 19.45 19.03 2ddr n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ddr n THR 235 N -1.44 0.00 0.00 0.00 -2.24 -1.26 -4.14 114.28 105.20 2ddr n THR 235 Ca 0.05 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2ddr n THR 235 Cb 0.18 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2ddr n THR 235 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2ddr n THR 236 N -1.34 0.00 -3.75 4.28 -2.24 -1.03 -5.07 114.28 105.13 2ddr n THR 236 Ca 0.08 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 2ddr n THR 236 Cb 0.33 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2ddr n THR 236 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ddr s ASN 237 N -0.13 5.81 0.37 3.42 3.84 0.29 -5.01 114.94 123.53 2ddr s ASN 237 Ca 0.00 0.03 0.08 0.00 0.21 0.00 0.00 52.86 53.17 2ddr s ASN 237 Cb 0.00 -2.04 0.71 0.00 -0.55 0.00 0.00 41.25 39.37 2ddr s ASN 237 CO 0.00 0.05 1.89 0.77 -2.79 0.00 0.00 177.10 177.03 2ddr h SER 238 N 7.60 0.31 0.01 -4.21 4.64 -1.89 -0.27 113.55 119.74 2ddr h SER 238 Ca -0.37 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.75 2ddr h SER 238 Cb 1.17 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2ddr h SER 238 CO 0.64 0.45 -0.54 0.40 -0.87 0.00 0.00 176.83 176.91 2ddr h ILE 239 N 0.31 1.47 -0.70 0.95 2.04 -1.93 -2.82 117.51 116.83 2ddr h ILE 239 Ca 0.06 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 2ddr h ILE 239 Cb 0.38 2.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 2ddr h ILE 239 CO 0.02 0.60 0.31 0.00 0.00 0.00 0.00 178.15 179.09 2ddr h ALA 240 N 0.28 1.23 -0.83 1.87 0.00 -1.79 -2.09 119.26 117.93 2ddr h ALA 240 Ca -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ddr h ALA 240 Cb 1.28 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2ddr h ALA 240 CO 0.11 0.58 0.54 -0.22 0.00 0.00 0.00 179.25 180.26 2ddr h LYS 241 N 1.00 1.10 -0.04 0.00 3.64 -1.06 0.25 116.57 121.46 2ddr h LYS 241 Ca 0.24 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2ddr h LYS 241 Cb 0.14 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2ddr h LYS 241 CO -0.03 0.74 0.00 -0.92 -2.27 0.00 0.00 179.45 176.97 2ddr h TYR 242 N 1.13 0.07 -0.04 1.91 3.20 -1.18 -1.60 116.97 120.45 2ddr h TYR 242 Ca 0.30 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 2ddr h TYR 242 Cb -0.11 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2ddr h TYR 242 CO -0.01 0.35 0.01 -0.91 -1.64 0.00 0.00 178.16 175.95 2ddr h ASN 243 N -0.23 0.06 -2.16 -2.11 -0.26 -1.13 -3.39 115.58 106.36 2ddr h ASN 243 Ca 0.01 -0.27 -0.57 0.00 -0.56 0.00 0.00 56.30 54.91 2ddr h ASN 243 Cb 0.32 -0.02 -0.39 0.00 -1.06 0.00 0.00 38.32 37.17 2ddr h ASN 243 CO 0.00 0.31 -1.03 0.49 -1.06 0.00 0.00 177.43 176.15 2ddr n PHE 244 N -4.92 -0.30 -0.12 1.19 3.01 0.84 -4.99 117.46 112.17 2ddr n PHE 244 Ca -0.07 -3.52 0.14 0.00 1.01 0.00 0.00 57.45 55.02 2ddr n PHE 244 Cb 0.16 -0.15 0.52 0.00 -0.01 0.00 0.00 39.48 39.99 2ddr n PHE 244 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2ddr h PRO 245 N 4.61 0.37 -0.66 -1.08 0.13 -1.40 -2.56 132.00 131.41 2ddr h PRO 245 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ddr h PRO 245 Cb 0.88 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ddr h PRO 245 CO 0.45 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 2ddr n ASP 246 N -4.47 4.14 -4.73 1.44 8.00 -1.26 -4.84 116.55 114.84 2ddr n ASP 246 Ca 0.12 -2.18 -0.39 0.00 0.71 0.00 0.00 54.79 53.05 2ddr n ASP 246 Cb 0.47 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 2ddr n ASP 246 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ddr s SER 247 N -0.99 6.98 0.51 -2.24 0.01 -0.96 -5.03 113.70 111.96 2ddr s SER 247 Ca 0.47 1.17 -0.23 0.00 1.31 0.00 0.00 55.95 58.67 2ddr s SER 247 Cb 0.27 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 64.04 2ddr s SER 247 CO 0.28 -0.06 1.33 -2.84 0.41 0.00 0.00 173.24 172.37 2ddr s PRO 248 N 0.54 3.39 0.57 12.44 0.02 -1.26 -4.49 135.00 146.21 2ddr s PRO 248 Ca 0.35 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.36 2ddr s PRO 248 Cb -0.18 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 2ddr s PRO 248 CO 0.18 -0.97 1.17 0.00 -0.33 0.00 0.00 177.00 177.04 2ddr n ALA 249 N -0.72 0.85 -2.43 -1.55 0.00 -1.26 -4.88 120.51 110.52 2ddr n ALA 249 Ca 0.08 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 2ddr n ALA 249 Cb 0.45 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 2ddr n ALA 249 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ddr s GLU 250 N -2.85 1.11 -0.32 0.00 2.02 0.33 -4.97 118.70 114.01 2ddr s GLU 250 Ca 0.74 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2ddr s GLU 250 Cb -0.42 -0.96 0.08 0.00 0.10 0.00 0.00 34.13 32.93 2ddr s GLU 250 CO 0.47 0.18 0.02 -0.47 0.02 0.00 0.00 175.26 175.48 2ddr s TYR 251 N -2.40 3.53 0.00 1.61 5.04 -1.26 -0.93 117.35 122.94 2ddr s TYR 251 Ca 0.13 -2.57 0.00 0.00 -2.44 0.00 0.00 57.07 52.19 2ddr s TYR 251 Cb -0.03 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.70 2ddr s TYR 251 CO 0.04 -0.91 0.03 1.28 -1.34 0.00 0.00 175.55 174.65 2ddr n LEU 252 N 4.41 0.06 -4.67 6.97 4.77 -1.26 -1.95 117.00 125.33 2ddr n LEU 252 Ca -0.04 -0.43 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 2ddr n LEU 252 Cb 0.42 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2ddr n LEU 252 CO 0.24 0.02 -0.29 -1.81 -1.33 0.00 0.00 177.39 174.21 2ddr s ASP 253 N -0.73 5.35 0.12 -1.43 1.01 -1.26 -1.28 116.67 118.44 2ddr s ASP 253 Ca 0.00 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.32 2ddr s ASP 253 Cb 0.00 -1.65 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 2ddr s ASP 253 CO 0.00 0.32 0.19 -0.31 0.21 0.00 0.00 175.17 175.58 2ddr s TYR 254 N -0.54 0.36 -0.23 4.23 1.51 -0.72 -4.98 117.35 116.97 2ddr s TYR 254 Ca 0.10 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 2ddr s TYR 254 Cb -0.12 -0.13 0.09 0.00 -0.11 0.00 0.00 41.96 41.69 2ddr s TYR 254 CO 0.02 -0.59 0.18 0.42 -1.11 0.00 0.00 175.55 174.47 2ddr s ILE 255 N -3.93 -0.22 0.18 2.71 1.01 -1.26 -1.03 121.20 118.67 2ddr s ILE 255 Ca 0.12 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2ddr s ILE 255 Cb 0.05 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2ddr s ILE 255 CO -0.05 -0.40 -0.15 0.27 0.00 0.00 0.00 174.94 174.61 2ddr s ILE 256 N 2.23 1.70 -0.05 2.92 -4.36 -0.17 -4.88 121.20 118.60 2ddr s ILE 256 Ca 0.07 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 58.36 2ddr s ILE 256 Cb -0.16 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2ddr s ILE 256 CO -0.21 -0.51 0.08 0.00 0.24 0.00 0.00 174.94 174.54 2ddr s ALA 257 N -2.65 3.59 0.16 2.27 0.00 -1.26 -0.58 121.76 123.28 2ddr s ALA 257 Ca 0.19 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 2ddr s ALA 257 Cb -0.02 -1.64 -0.08 0.00 0.00 0.00 0.00 23.12 21.38 2ddr s ALA 257 CO 0.06 0.66 1.21 0.45 0.00 0.00 0.00 175.76 178.14 2ddr s SER 258 N -1.41 7.07 0.35 0.00 0.15 -0.02 -1.55 113.70 118.29 2ddr s SER 258 Ca 0.19 2.20 0.25 0.00 0.70 0.00 0.00 55.95 59.30 2ddr s SER 258 Cb -0.12 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.27 2ddr s SER 258 CO 0.10 -0.41 1.72 0.11 1.20 0.00 0.00 173.24 175.96 2ddr h LYS 259 N 5.62 0.00 0.00 5.44 1.57 -0.66 -3.14 116.57 125.40 2ddr h LYS 259 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2ddr h LYS 259 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2ddr h LYS 259 CO 0.76 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 2ddr n ASP 260 N -2.72 0.00 0.00 0.86 8.00 -1.26 -4.81 116.55 116.62 2ddr n ASP 260 Ca 0.04 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.85 2ddr n ASP 260 Cb 0.44 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2ddr n ASP 260 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ddr n HIS 261 N -1.07 0.00 -1.74 1.24 8.25 -1.19 -4.72 115.22 116.00 2ddr n HIS 261 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 2ddr n HIS 261 Cb 0.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2ddr n HIS 261 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ddr s ALA 262 N -2.00 3.39 -0.37 -1.41 0.00 -0.46 -4.85 121.76 116.06 2ddr s ALA 262 Ca 0.00 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 2ddr s ALA 262 Cb 0.00 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.25 2ddr s ALA 262 CO 0.00 -1.83 0.75 -0.80 0.00 0.00 0.00 175.76 173.88 2ddr s ASN 263 N 5.05 6.50 0.33 0.00 -0.87 -1.26 -4.64 114.94 120.05 2ddr s ASN 263 Ca 0.88 0.24 -0.29 0.00 -1.57 0.00 0.00 52.86 52.11 2ddr s ASN 263 Cb -0.38 -2.38 -0.11 0.00 -0.02 0.00 0.00 41.25 38.36 2ddr s ASN 263 CO 0.38 -0.73 1.53 -2.84 -2.57 0.00 0.00 177.10 172.87 2ddr s PRO 264 N 3.04 4.13 0.46 -0.60 0.02 -1.26 -4.87 135.00 135.92 2ddr s PRO 264 Ca 0.29 2.55 0.25 0.00 0.02 0.00 0.00 61.00 64.12 2ddr s PRO 264 Cb -0.13 -3.00 1.05 0.00 0.02 0.00 0.00 34.50 32.43 2ddr s PRO 264 CO 0.17 -0.57 1.88 0.66 -0.33 0.00 0.00 177.00 178.82 2ddr h SER 265 N 3.98 0.00 -3.30 2.53 4.64 -1.95 -3.43 113.55 116.02 2ddr h SER 265 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 2ddr h SER 265 Cb 1.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.07 2ddr h SER 265 CO 0.72 0.19 -0.19 -0.47 -0.87 0.00 0.00 176.83 176.21 2ddr s TYR 266 N -3.73 -0.70 -0.12 4.77 5.04 -1.26 -5.03 117.35 116.31 2ddr s TYR 266 Ca 0.00 1.50 -0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2ddr s TYR 266 Cb 0.11 0.34 0.06 0.00 0.35 0.00 0.00 41.96 42.81 2ddr s TYR 266 CO 0.62 -0.37 0.24 -1.50 -1.34 0.00 0.00 175.55 173.19 2ddr s ILE 267 N 1.24 -0.33 0.07 3.14 2.07 -1.26 -0.30 121.20 125.83 2ddr s ILE 267 Ca -0.08 0.28 0.07 0.00 -1.41 0.00 0.00 60.65 59.51 2ddr s ILE 267 Cb -0.07 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 2ddr s ILE 267 CO -0.12 0.12 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.19 2ddr s GLU 268 N 2.23 2.09 -0.24 3.50 2.12 0.22 -0.98 118.70 127.64 2ddr s GLU 268 Ca 0.00 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.34 2ddr s GLU 268 Cb -0.12 -2.25 0.06 0.00 0.26 0.00 0.00 34.13 32.08 2ddr s GLU 268 CO -0.08 0.52 -0.07 -0.80 -0.54 0.00 0.00 175.26 174.30 2ddr s ASN 269 N -1.84 4.03 -0.20 -1.70 0.02 -0.06 -1.71 114.94 113.49 2ddr s ASN 269 Ca 0.18 -1.25 -0.05 0.00 -1.02 0.00 0.00 52.86 50.73 2ddr s ASN 269 Cb -0.11 -1.29 -0.02 0.00 0.02 0.00 0.00 41.25 39.85 2ddr s ASN 269 CO 0.09 -0.22 -0.02 -0.75 0.02 0.00 0.00 177.10 176.23 2ddr s LYS 270 N 1.31 3.55 -0.22 -0.60 2.20 0.09 -1.61 119.74 124.46 2ddr s LYS 270 Ca -0.07 -0.55 -0.20 0.00 -0.36 0.00 0.00 55.97 54.79 2ddr s LYS 270 Cb -0.19 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2ddr s LYS 270 CO -0.06 -0.02 0.60 0.08 -0.36 0.00 0.00 175.35 175.59 2ddr s VAL 271 N 1.07 5.03 0.27 4.02 1.01 -0.82 -0.40 120.40 130.58 2ddr s VAL 271 Ca 0.02 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2ddr s VAL 271 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ddr s VAL 271 CO 0.01 0.09 0.44 -0.76 0.00 0.00 0.00 175.10 174.88 2ddr s LEU 272 N 2.08 4.17 -0.49 3.92 1.43 -0.75 -1.28 118.68 127.76 2ddr s LEU 272 Ca 0.27 0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 2ddr s LEU 272 Cb -0.16 -3.13 0.33 0.00 0.03 0.00 0.00 46.19 43.26 2ddr s LEU 272 CO 0.10 -0.15 0.83 0.00 0.23 0.00 0.00 176.35 177.36 2ddr n GLN 273 N -1.30 2.18 -2.40 1.70 6.02 -1.26 -4.16 117.38 118.16 2ddr n GLN 273 Ca -0.06 -4.19 -0.40 0.00 -0.01 0.00 0.00 57.00 52.34 2ddr n GLN 273 Cb 0.56 -1.98 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 2ddr n GLN 273 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2ddr s PRO 274 N -2.87 4.47 -0.03 -1.09 0.04 -1.26 -5.03 135.00 129.22 2ddr s PRO 274 Ca 0.44 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2ddr s PRO 274 Cb 0.29 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2ddr s PRO 274 CO -0.11 0.04 -0.04 0.15 0.04 0.00 0.00 177.00 177.08 2ddr s LYS 275 N -1.72 2.73 0.48 4.56 -0.14 -1.26 -4.67 119.74 119.71 2ddr s LYS 275 Ca 0.48 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 2ddr s LYS 275 Cb -0.32 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2ddr s LYS 275 CO 0.41 0.64 0.69 -1.54 -0.76 0.00 0.00 175.35 174.79 2ddr s SER 276 N -1.18 5.59 0.61 2.83 1.04 0.05 -4.98 113.70 117.66 2ddr s SER 276 Ca 0.16 0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 2ddr s SER 276 Cb -0.11 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.83 2ddr s SER 276 CO 0.05 -0.87 1.19 -2.84 0.98 0.00 0.00 173.24 171.76 2ddr s PRO 277 N -4.59 2.90 0.35 4.02 0.02 -1.26 -4.63 135.00 131.81 2ddr s PRO 277 Ca 0.52 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 2ddr s PRO 277 Cb -0.10 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 2ddr s PRO 277 CO 0.37 -1.25 1.50 -1.14 -0.33 0.00 0.00 177.00 176.15 2ddr s GLN 278 N -3.45 4.13 0.03 5.54 0.74 -1.26 -4.72 119.66 120.66 2ddr s GLN 278 Ca 0.76 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.73 2ddr s GLN 278 Cb -0.29 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 2ddr s GLN 278 CO 0.35 -0.54 -0.04 1.67 -0.55 0.00 0.00 175.29 176.17 2ddr s TRP 279 N -0.85 0.43 0.09 1.67 1.48 -0.39 -5.00 118.94 116.37 2ddr s TRP 279 Ca 0.55 -0.64 0.04 0.00 -1.06 0.00 0.00 56.10 54.99 2ddr s TRP 279 Cb -0.46 -0.29 -0.03 0.00 -1.16 0.00 0.00 33.47 31.52 2ddr s TRP 279 CO 0.59 -0.20 -0.11 0.95 -4.06 0.00 0.00 176.95 174.12 2ddr s THR 280 N -2.02 1.01 0.10 0.66 -4.23 -1.26 -1.00 115.64 108.90 2ddr s THR 280 Ca -0.09 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2ddr s THR 280 Cb -0.06 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 2ddr s THR 280 CO -0.03 -0.44 0.03 0.68 -0.54 0.00 0.00 174.62 174.32 2ddr s VAL 281 N -2.03 0.15 -0.09 2.29 -7.23 -0.47 -4.97 120.40 108.06 2ddr s VAL 281 Ca 0.03 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2ddr s VAL 281 Cb -0.05 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2ddr s VAL 281 CO 0.01 -0.69 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.01 2ddr s THR 282 N -3.99 1.82 -0.09 5.32 2.01 -1.26 -0.47 115.64 118.98 2ddr s THR 282 Ca 0.17 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2ddr s THR 282 Cb 0.08 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2ddr s THR 282 CO -0.03 0.51 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.89 2ddr s SER 283 N 0.36 1.88 -1.16 3.53 0.01 0.09 -4.84 113.70 113.57 2ddr s SER 283 Ca -0.16 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.58 2ddr s SER 283 Cb -0.17 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.34 2ddr s SER 283 CO 0.07 -0.09 0.73 0.79 0.41 0.00 0.00 173.24 175.15 2ddr n TRP 284 N 4.65 -1.66 -1.17 2.43 7.02 -1.26 -1.61 117.44 125.84 2ddr n TRP 284 Ca -0.15 0.27 -0.06 0.00 -1.02 0.00 0.00 57.50 56.55 2ddr n TRP 284 Cb 0.50 -3.09 -0.02 0.00 -2.42 0.00 0.00 31.31 26.28 2ddr n TRP 284 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2ddr n PHE 285 N -4.55 0.00 -4.85 -5.99 3.01 -1.26 -4.98 117.46 98.84 2ddr n PHE 285 Ca -0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.10 2ddr n PHE 285 Cb 0.58 -2.14 -0.16 0.00 -0.01 0.00 0.00 39.48 37.75 2ddr n PHE 285 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2ddr s GLN 286 N -2.29 1.64 0.05 -1.08 -0.21 -0.64 -5.13 119.66 112.01 2ddr s GLN 286 Ca 0.00 -0.62 -0.14 0.00 0.02 0.00 0.00 55.36 54.62 2ddr s GLN 286 Cb 0.00 -1.49 -0.06 0.00 1.00 0.00 0.00 33.01 32.46 2ddr s GLN 286 CO 0.00 0.31 0.44 0.21 -2.12 0.00 0.00 175.29 174.13 2ddr s LYS 287 N -0.16 3.90 -0.04 2.91 2.20 -1.26 -0.73 119.74 126.56 2ddr s LYS 287 Ca 0.01 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 2ddr s LYS 287 Cb -0.10 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2ddr s LYS 287 CO 0.01 0.61 -0.15 0.71 -0.36 0.00 0.00 175.35 176.18 2ddr s TYR 288 N -1.24 1.49 -0.07 4.03 2.02 0.38 -4.98 117.35 118.98 2ddr s TYR 288 Ca 0.29 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2ddr s TYR 288 Cb -0.16 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2ddr s TYR 288 CO 0.16 -0.17 -0.13 0.99 -1.57 0.00 0.00 175.55 174.84 2ddr s THR 289 N 0.16 3.15 0.10 -0.71 2.01 -1.26 -1.36 115.64 117.72 2ddr s THR 289 Ca -0.05 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2ddr s THR 289 Cb -0.11 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2ddr s THR 289 CO 0.02 0.57 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.17 2ddr s TYR 290 N -0.43 0.83 -0.12 4.92 1.51 -0.17 -5.00 117.35 118.89 2ddr s TYR 290 Ca 0.05 -0.97 0.24 0.00 -1.01 0.00 0.00 57.07 55.38 2ddr s TYR 290 Cb -0.12 -0.50 0.45 0.00 -0.11 0.00 0.00 41.96 41.68 2ddr s TYR 290 CO 0.02 -0.23 1.15 0.27 -1.11 0.00 0.00 175.55 175.65 2ddr n ASN 291 N -0.03 1.14 -4.23 2.29 6.94 -1.26 -1.26 115.26 118.85 2ddr n ASN 291 Ca -0.12 -2.01 -0.21 0.00 -0.02 0.00 0.00 54.58 52.22 2ddr n ASN 291 Cb 0.61 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 2ddr n ASN 291 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2ddr s ASP 292 N -2.72 2.13 0.30 0.53 1.01 -1.26 -0.77 116.67 115.88 2ddr s ASP 292 Ca 0.30 -0.66 0.16 0.00 0.71 0.00 0.00 52.55 53.06 2ddr s ASP 292 Cb 0.35 -0.10 0.14 0.00 1.01 0.00 0.00 42.92 44.33 2ddr s ASP 292 CO -0.11 -0.01 1.48 1.88 0.21 0.00 0.00 175.17 178.62 2ddr h TYR 293 N 4.17 0.00 -2.41 4.23 -1.99 -1.92 -3.45 116.97 115.60 2ddr h TYR 293 Ca -0.44 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.46 2ddr h TYR 293 Cb 1.19 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.84 2ddr h TYR 293 CO 0.62 0.46 0.47 0.45 -0.00 0.00 0.00 178.16 180.17 2ddr s SER 294 N -6.44 -0.16 0.07 3.88 0.15 -1.26 -4.84 113.70 105.09 2ddr s SER 294 Ca 0.04 -0.46 0.28 0.00 0.70 0.00 0.00 55.95 56.51 2ddr s SER 294 Cb 0.08 0.51 1.06 0.00 -1.71 0.00 0.00 66.02 65.96 2ddr s SER 294 CO 0.73 -0.96 1.85 -0.90 1.20 0.00 0.00 173.24 175.16 2ddr n ASP 295 N -0.55 0.29 -4.73 5.45 5.75 -1.26 -4.74 116.55 116.76 2ddr n ASP 295 Ca -0.06 0.48 -0.29 0.00 -0.01 0.00 0.00 54.79 54.91 2ddr n ASP 295 Cb 0.60 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 40.08 2ddr n ASP 295 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ddr s HIS 296 N -3.03 3.05 0.14 2.11 3.76 -1.26 -4.29 115.29 115.77 2ddr s HIS 296 Ca 0.13 -0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2ddr s HIS 296 Cb 0.17 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.27 2ddr s HIS 296 CO 0.56 0.50 0.34 0.71 -0.85 0.00 0.00 174.74 176.01 2ddr s TYR 297 N -1.44 3.49 0.47 1.40 4.12 0.12 -4.85 117.35 120.65 2ddr s TYR 297 Ca 0.28 0.44 -0.18 0.00 0.02 0.00 0.00 57.07 57.63 2ddr s TYR 297 Cb -0.11 -1.92 -0.09 0.00 -1.52 0.00 0.00 41.96 38.31 2ddr s TYR 297 CO 0.20 0.46 0.95 -1.25 0.02 0.00 0.00 175.55 175.93 2ddr s PRO 298 N -2.77 4.07 -0.16 -1.71 0.04 -1.26 -4.76 135.00 128.46 2ddr s PRO 298 Ca 0.39 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2ddr s PRO 298 Cb -0.12 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2ddr s PRO 298 CO 0.26 -0.14 -0.13 0.08 0.04 0.00 0.00 177.00 177.11 2ddr s VAL 299 N -2.39 2.84 -0.26 -0.36 1.01 -0.60 -1.81 120.40 118.82 2ddr s VAL 299 Ca 0.60 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2ddr s VAL 299 Cb -0.10 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2ddr s VAL 299 CO 0.22 0.50 0.08 -0.70 0.00 0.00 0.00 175.10 175.21 2ddr s GLU 300 N 0.86 3.56 -0.12 2.72 2.12 0.47 -1.44 118.70 126.87 2ddr s GLU 300 Ca -0.04 -0.54 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 2ddr s GLU 300 Cb -0.15 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2ddr s GLU 300 CO -0.00 -0.24 0.06 0.00 -0.54 0.00 0.00 175.26 174.54 2ddr s ALA 301 N 1.60 3.51 -0.19 6.30 0.00 0.18 -0.74 121.76 132.43 2ddr s ALA 301 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2ddr s ALA 301 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2ddr s ALA 301 CO 0.04 0.50 -0.15 0.99 0.00 0.00 0.00 175.76 177.14 2ddr s THR 302 N -0.62 2.53 -0.17 0.00 2.01 -0.69 -1.90 115.64 116.81 2ddr s THR 302 Ca 0.11 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2ddr s THR 302 Cb -0.12 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.31 2ddr s THR 302 CO 0.02 0.50 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.63 2ddr s ILE 303 N 1.30 1.96 -0.17 1.82 1.09 -0.25 -0.61 121.20 126.35 2ddr s ILE 303 Ca 0.04 -0.88 -0.27 0.00 -1.10 0.00 0.00 60.65 58.44 2ddr s ILE 303 Cb -0.14 -1.78 -0.01 0.00 -1.06 0.00 0.00 42.46 39.47 2ddr s ILE 303 CO -0.09 0.52 0.89 -0.55 -0.10 0.00 0.00 174.94 175.62 2ddr s SER 304 N 1.30 7.02 0.00 3.58 0.15 0.59 -1.14 113.70 125.20 2ddr s SER 304 Ca 0.04 1.26 0.11 0.00 0.70 0.00 0.00 55.95 58.07 2ddr s SER 304 Cb -0.13 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 2ddr s SER 304 CO -0.12 -0.45 0.86 0.23 1.20 0.00 0.00 173.24 174.96