#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddr n ASP 8 N 0.00 5.32 -4.02 6.41 10.43 -1.26 -4.87 116.55 128.56 2ddr n ASP 8 Ca 0.00 -3.27 -0.21 0.00 2.57 0.00 0.00 54.79 53.88 2ddr n ASP 8 Cb 0.00 -0.89 -0.15 0.00 1.84 0.00 0.00 41.12 41.92 2ddr n ASP 8 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2ddr s THR 9 N -2.91 0.86 -0.12 -3.53 2.01 -1.26 0.06 115.64 110.75 2ddr s THR 9 Ca 0.44 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2ddr s THR 9 Cb 0.35 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 2ddr s THR 9 CO 0.03 0.26 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.83 2ddr s LEU 10 N 0.11 2.43 -0.26 4.42 2.96 0.12 -4.96 118.68 123.50 2ddr s LEU 10 Ca -0.02 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2ddr s LEU 10 Cb -0.08 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.11 2ddr s LEU 10 CO 0.00 0.16 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.63 2ddr s LYS 11 N 0.36 2.95 -0.05 1.98 -0.14 -1.26 -0.83 119.74 122.75 2ddr s LYS 11 Ca -0.14 -0.91 0.04 0.00 -1.36 0.00 0.00 55.97 53.60 2ddr s LYS 11 Cb -0.17 -3.07 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2ddr s LYS 11 CO 0.07 -0.39 -0.18 0.08 -0.76 0.00 0.00 175.35 174.17 2ddr s VAL 12 N 1.38 1.50 0.06 3.17 1.01 -0.72 -0.01 120.40 126.79 2ddr s VAL 12 Ca 0.01 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2ddr s VAL 12 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2ddr s VAL 12 CO -0.03 0.43 -0.22 -0.32 0.00 0.00 0.00 175.10 174.96 2ddr s MET 13 N 0.04 1.39 -0.02 2.72 1.75 -0.35 0.17 119.30 125.00 2ddr s MET 13 Ca -0.04 -1.04 0.04 0.00 -1.25 0.00 0.00 55.69 53.40 2ddr s MET 13 Cb -0.12 -1.57 -0.00 0.00 2.84 0.00 0.00 34.83 35.98 2ddr s MET 13 CO 0.03 0.39 -0.13 -0.08 -0.65 0.00 0.00 175.02 174.58 2ddr s THR 14 N -0.89 1.07 -0.14 10.11 -1.32 -0.60 0.12 115.64 123.97 2ddr s THR 14 Ca 0.08 -0.55 -0.06 0.00 -1.21 0.00 0.00 61.69 59.96 2ddr s THR 14 Cb -0.09 -0.91 0.07 0.00 -1.51 0.00 0.00 72.50 70.05 2ddr s THR 14 CO 0.03 0.31 0.31 -2.28 -2.21 0.00 0.00 174.62 170.78 2ddr s HIS 15 N -0.09 -0.51 -0.51 9.09 2.46 -0.28 -1.49 115.29 123.95 2ddr s HIS 15 Ca 0.01 1.10 -0.25 0.00 0.47 0.00 0.00 55.06 56.39 2ddr s HIS 15 Cb -0.08 0.09 0.03 0.00 -0.13 0.00 0.00 32.58 32.50 2ddr s HIS 15 CO 0.00 -0.36 0.96 1.21 -2.47 0.00 0.00 174.74 174.08 2ddr s ASN 16 N 2.12 6.42 0.00 9.88 3.84 -1.26 -1.30 114.94 134.64 2ddr s ASN 16 Ca -0.03 -0.10 0.17 0.00 0.21 0.00 0.00 52.86 53.11 2ddr s ASN 16 Cb -0.11 -2.45 0.57 0.00 -0.55 0.00 0.00 41.25 38.70 2ddr s ASN 16 CO -0.10 -1.18 1.43 1.33 -2.79 0.00 0.00 177.10 175.79 2ddr n VAL 17 N 6.34 0.33 -3.81 -5.21 0.24 -0.25 -4.28 118.33 111.71 2ddr n VAL 17 Ca 0.04 -0.42 -0.35 0.00 -2.04 0.00 0.00 64.34 61.58 2ddr n VAL 17 Cb 0.48 0.33 0.03 0.00 -1.47 0.00 0.00 33.84 33.21 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 0.45 -1.79 -3.39 6.34 9.36 -1.26 -4.66 117.16 122.21 2ddr n TYR 18 Ca 0.15 0.39 -0.34 0.00 3.32 0.00 0.00 57.90 61.42 2ddr n TYR 18 Cb 0.33 -3.15 -0.05 0.00 -0.63 0.00 0.00 39.34 35.84 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 -4.18 3.07 -1.10 2.98 2.81 0.32 -4.95 117.12 116.09 2ddr n MET 19 Ca -0.12 -4.58 -0.32 0.00 -1.81 0.00 0.00 57.70 50.87 2ddr n MET 19 Cb 0.59 -2.38 0.12 0.00 -0.71 0.00 0.00 33.22 30.84 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 -2.20 3.05 0.28 4.03 1.43 -1.26 -1.32 118.68 122.69 2ddr s LEU 20 Ca 0.33 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 55.27 2ddr s LEU 20 Cb 0.05 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.59 2ddr s LEU 20 CO -0.02 -2.54 1.59 -0.55 0.23 0.00 0.00 176.35 175.07 2ddr s SER 21 N -2.66 6.40 0.00 2.29 0.15 -1.26 -4.12 113.70 114.50 2ddr s SER 21 Ca 0.68 2.92 0.19 0.00 0.70 0.00 0.00 55.95 60.44 2ddr s SER 21 Cb -0.23 -2.63 0.86 0.00 -1.71 0.00 0.00 66.02 62.31 2ddr s SER 21 CO 0.53 -0.90 1.62 0.35 1.20 0.00 0.00 173.24 176.03 2ddr n THR 22 N 2.37 0.61 0.17 6.45 -2.24 -1.26 -0.73 114.28 119.65 2ddr n THR 22 Ca 0.09 0.15 0.05 0.00 -2.27 0.00 0.00 64.05 62.07 2ddr n THR 22 Cb 0.37 -0.82 0.17 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.63 115.58 114.15 2ddr h ASN 23 Ca 0.00 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 2ddr h ASN 23 Cb 0.30 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.51 2ddr h ASN 23 CO 0.00 0.40 -2.03 0.18 -1.06 0.00 0.00 177.43 174.92 2ddr n LEU 24 N -3.30 0.46 -3.52 1.61 4.77 -0.87 -4.78 117.00 111.37 2ddr n LEU 24 Ca 0.01 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2ddr n LEU 24 Cb 0.62 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.82 2ddr n LEU 24 CO 0.38 0.44 -0.23 -1.22 -1.33 0.00 0.00 177.39 175.43 2ddr n TYR 25 N -2.63 0.40 0.29 -1.77 4.01 0.09 -4.99 117.16 112.56 2ddr n TYR 25 Ca -0.26 -3.63 0.14 0.00 -0.16 0.00 0.00 57.90 54.00 2ddr n TYR 25 Cb 0.96 -0.05 0.85 0.00 -0.31 0.00 0.00 39.34 40.80 2ddr n TYR 25 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ddr h PRO 26 N 5.39 0.00 -1.59 -0.72 0.13 -1.69 -3.30 132.00 130.22 2ddr h PRO 26 Ca 0.22 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.73 2ddr h PRO 26 Cb 0.86 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.59 2ddr h PRO 26 CO 0.49 0.04 -0.43 0.09 -0.23 0.00 0.00 178.00 177.95 2ddr n ASN 27 N -3.83 5.18 -1.06 1.44 4.13 -1.26 -4.67 115.26 115.19 2ddr n ASN 27 Ca -0.03 -3.74 0.08 0.00 1.68 0.00 0.00 54.58 52.57 2ddr n ASN 27 Cb 0.12 -0.56 0.27 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.49 1.07 -2.38 3.10 5.03 -1.24 -4.76 117.44 117.76 2ddr n TRP 28 Ca 0.42 -0.76 -0.21 0.00 3.03 0.00 0.00 57.50 59.98 2ddr n TRP 28 Cb 0.59 -0.28 -0.01 0.00 -1.03 0.00 0.00 31.31 30.58 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 0.03 -0.44 0.14 6.99 0.00 -1.26 -4.91 105.19 105.73 2ddr n GLY 29 Ca 0.21 -0.01 -0.07 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 0.21 -0.04 1.61 7.50 -1.92 0.13 115.11 122.61 2ddr h GLN 30 Ca -0.49 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 58.64 2ddr h GLN 30 Cb 1.36 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.84 2ddr h GLN 30 CO 0.58 0.14 0.02 1.15 -1.50 0.00 0.00 178.83 179.22 2ddr h THR 31 N 0.22 1.12 -0.72 -0.54 2.02 -1.92 -0.90 112.91 112.19 2ddr h THR 31 Ca 0.13 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2ddr h THR 31 Cb 0.11 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2ddr h THR 31 CO -0.14 0.10 0.36 -0.08 0.37 0.00 0.00 175.52 176.12 2ddr h GLU 32 N -0.09 1.03 0.00 6.66 4.81 -1.92 -2.14 114.58 122.92 2ddr h GLU 32 Ca 0.01 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2ddr h GLU 32 Cb 0.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2ddr h GLU 32 CO -0.00 0.80 -0.27 0.00 -0.73 0.00 0.00 179.01 178.80 2ddr h ARG 33 N 1.00 0.00 -0.68 1.92 3.08 -0.62 -0.35 114.38 118.73 2ddr h ARG 33 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2ddr h ARG 33 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2ddr h ARG 33 CO -0.03 0.27 0.22 0.00 -1.07 0.00 0.00 179.97 179.36 2ddr h ALA 34 N 1.73 1.10 -0.10 0.04 0.00 -0.49 0.19 119.26 121.73 2ddr h ALA 34 Ca -0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2ddr h ALA 34 Cb 0.60 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ddr h ALA 34 CO 0.04 0.62 -0.69 -0.44 0.00 0.00 0.00 179.25 178.77 2ddr h ASP 35 N 1.01 0.79 -0.30 0.00 3.45 -1.15 -1.91 116.42 118.31 2ddr h ASP 35 Ca 0.22 -0.66 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 2ddr h ASP 35 Cb 0.27 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 2ddr h ASP 35 CO -0.01 1.32 0.09 -0.07 -1.57 0.00 0.00 179.24 179.00 2ddr h LEU 36 N 0.31 0.43 -0.52 1.55 3.38 -0.78 -2.19 115.31 117.49 2ddr h LEU 36 Ca -0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2ddr h LEU 36 Cb 1.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2ddr h LEU 36 CO 0.14 0.53 0.09 0.40 0.09 0.00 0.00 178.44 179.68 2ddr h ILE 37 N 0.32 1.25 -0.49 1.22 2.04 -0.71 -0.96 117.51 120.18 2ddr h ILE 37 Ca 0.09 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.09 2ddr h ILE 37 Cb 0.25 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2ddr h ILE 37 CO -0.00 0.34 0.33 1.23 0.00 0.00 0.00 178.15 180.04 2ddr h GLY 38 N 0.74 0.48 -1.22 5.37 0.00 -1.16 -1.84 103.07 105.44 2ddr h GLY 38 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ddr h GLY 38 CO 0.01 0.11 -0.26 0.00 0.00 0.00 0.00 176.54 176.40 2ddr n ALA 39 N -2.52 3.07 -1.76 3.60 0.00 -0.84 -4.73 120.51 117.34 2ddr n ALA 39 Ca 0.07 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.49 2ddr n ALA 39 Cb 0.28 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 2.89 0.17 0.00 0.00 -0.39 -4.95 121.76 117.21 2ddr s ALA 40 Ca 0.23 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2ddr s ALA 40 Cb 0.19 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2ddr s ALA 40 CO 0.46 -1.12 1.39 -0.44 0.00 0.00 0.00 175.76 176.05 2ddr h ASP 41 N 1.71 0.23 -0.23 0.00 3.45 -1.90 -3.31 116.42 116.37 2ddr h ASP 41 Ca -0.50 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 56.76 2ddr h ASP 41 Cb 1.28 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 2ddr h ASP 41 CO 0.58 0.98 0.13 0.10 -1.57 0.00 0.00 179.24 179.46 2ddr h TYR 42 N 0.10 0.35 -0.01 4.55 -0.00 -1.94 -2.31 116.97 117.71 2ddr h TYR 42 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 2ddr h TYR 42 Cb 1.47 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 38.09 2ddr h TYR 42 CO 0.03 0.26 -0.05 1.51 -0.00 0.00 0.00 178.16 179.90 2ddr n ILE 43 N -4.45 0.00 -2.11 -0.90 3.06 -1.25 -4.90 119.36 108.82 2ddr n ILE 43 Ca 0.01 -0.14 -0.27 0.00 -2.50 0.00 0.00 62.75 59.85 2ddr n ILE 43 Cb 0.11 0.14 0.07 0.00 0.54 0.00 0.00 39.64 40.50 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 -2.16 2.26 -1.60 9.51 1.02 -0.87 -4.44 119.74 123.47 2ddr s LYS 44 Ca 0.37 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2ddr s LYS 44 Cb 0.21 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2ddr s LYS 44 CO 0.39 -1.27 0.00 0.09 -0.92 0.00 0.00 175.35 173.65 2ddr n ASN 45 N -3.01 -5.39 -4.81 2.83 3.02 -1.26 -5.02 115.26 101.63 2ddr n ASN 45 Ca 0.08 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.40 2ddr n ASN 45 Cb 0.60 -4.45 -0.05 0.00 -0.61 0.00 0.00 39.78 35.28 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 -4.91 2.60 -0.15 3.52 -1.52 -1.26 -4.94 119.66 113.00 2ddr s GLN 46 Ca 0.00 -1.38 0.02 0.00 -1.95 0.00 0.00 55.36 52.05 2ddr s GLN 46 Cb 0.00 -2.37 -0.23 0.00 -0.22 0.00 0.00 33.01 30.19 2ddr s GLN 46 CO 0.00 0.12 0.23 -0.25 -0.25 0.00 0.00 175.29 175.14 2ddr n ASP 47 N -1.28 1.61 -3.83 5.90 10.43 0.99 -4.71 116.55 125.66 2ddr n ASP 47 Ca -0.03 0.13 -0.12 0.00 2.57 0.00 0.00 54.79 57.34 2ddr n ASP 47 Cb 0.60 -0.38 -0.12 0.00 1.84 0.00 0.00 41.12 43.06 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 -2.55 0.01 -0.08 2.53 1.01 -0.92 -2.30 120.40 118.10 2ddr s VAL 48 Ca -0.21 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2ddr s VAL 48 Cb 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2ddr s VAL 48 CO 0.74 -0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.98 2ddr s VAL 49 N -0.16 1.10 -0.19 2.92 1.01 0.02 -1.21 120.40 123.89 2ddr s VAL 49 Ca -0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2ddr s VAL 49 Cb -0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2ddr s VAL 49 CO 0.00 0.36 0.10 -0.63 0.00 0.00 0.00 175.10 174.94 2ddr s ILE 50 N 0.96 5.17 -0.03 2.22 1.01 0.12 -1.29 121.20 129.36 2ddr s ILE 50 Ca -0.09 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.71 2ddr s ILE 50 Cb -0.15 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2ddr s ILE 50 CO 0.00 0.45 -0.18 -0.76 0.00 0.00 0.00 174.94 174.45 2ddr s LEU 51 N 0.37 2.54 0.14 2.97 1.43 0.06 -1.13 118.68 125.05 2ddr s LEU 51 Ca 0.06 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 2ddr s LEU 51 Cb -0.12 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2ddr s LEU 51 CO -0.01 0.33 -0.21 0.20 0.23 0.00 0.00 176.35 176.89 2ddr s ASN 52 N -0.75 2.79 -1.42 2.29 0.02 -0.42 -2.19 114.94 115.26 2ddr s ASN 52 Ca 0.11 -0.77 -0.07 0.00 -1.02 0.00 0.00 52.86 51.11 2ddr s ASN 52 Cb -0.10 -0.17 0.01 0.00 0.02 0.00 0.00 41.25 41.01 2ddr s ASN 52 CO 0.00 0.05 0.96 -0.62 0.02 0.00 0.00 177.10 177.52 2ddr n GLU 53 N 0.72 -6.77 -2.34 -0.60 1.02 -0.02 -1.09 120.64 111.56 2ddr n GLU 53 Ca -0.17 0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 57.42 2ddr n GLU 53 Cb 0.55 -5.81 0.01 0.00 -0.02 0.00 0.00 31.44 26.16 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 -4.81 5.40 -0.00 2.62 0.24 -0.55 -0.52 118.33 120.71 2ddr n VAL 54 Ca -0.04 -5.00 -0.17 0.00 -2.04 0.00 0.00 64.34 57.10 2ddr n VAL 54 Cb 0.58 -1.96 -0.11 0.00 -1.47 0.00 0.00 33.84 30.89 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 4.73 0.56 -2.60 6.34 0.05 -1.69 -3.42 116.94 120.91 2ddr h PHE 55 Ca 0.56 -0.29 -0.53 0.00 3.82 0.00 0.00 57.97 61.53 2ddr h PHE 55 Cb 0.38 -0.07 0.03 0.00 2.00 0.00 0.00 35.95 38.30 2ddr h PHE 55 CO 1.42 1.10 1.07 0.34 -0.18 0.00 0.00 178.31 182.06 2ddr s ASP 56 N -6.66 6.51 0.07 2.17 2.15 -0.44 -4.74 116.67 115.73 2ddr s ASP 56 Ca -0.14 2.62 -0.23 0.00 0.43 0.00 0.00 52.55 55.24 2ddr s ASP 56 Cb 0.03 -2.56 -0.15 0.00 -0.30 0.00 0.00 42.92 39.94 2ddr s ASP 56 CO 0.81 -0.95 1.65 0.78 -0.17 0.00 0.00 175.17 177.29 2ddr h ASN 57 N 8.58 0.03 -0.08 -0.34 4.21 -1.92 -0.63 115.58 125.42 2ddr h ASN 57 Ca -0.45 -0.09 -0.01 0.00 1.21 0.00 0.00 56.30 56.96 2ddr h ASN 57 Cb 1.21 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2ddr h ASN 57 CO 0.94 0.11 0.01 0.28 -1.29 0.00 0.00 177.43 177.48 2ddr h SER 58 N -0.06 0.13 -0.30 5.81 0.02 -1.99 -2.14 113.55 115.03 2ddr h SER 58 Ca 0.01 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2ddr h SER 58 Cb 0.09 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2ddr h SER 58 CO -0.00 0.37 -0.13 0.00 -1.14 0.00 0.00 176.83 175.94 2ddr h ALA 59 N 0.77 1.02 -0.46 3.77 0.00 -1.91 -1.18 119.26 121.26 2ddr h ALA 59 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2ddr h ALA 59 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ddr h ALA 59 CO 0.00 0.59 -0.10 0.66 0.00 0.00 0.00 179.25 180.40 2ddr h SER 60 N 0.66 0.89 0.12 0.00 4.64 -1.09 0.15 113.55 118.92 2ddr h SER 60 Ca 0.11 -0.36 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 2ddr h SER 60 Cb 0.59 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2ddr h SER 60 CO 0.04 1.04 -0.29 0.44 -0.87 0.00 0.00 176.83 177.18 2ddr h ASP 61 N 0.72 0.27 -0.31 4.97 3.45 -1.22 -0.17 116.42 124.13 2ddr h ASP 61 Ca 0.12 -0.09 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 2ddr h ASP 61 Cb 0.64 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 2ddr h ASP 61 CO 0.04 0.56 -0.10 -0.09 -1.57 0.00 0.00 179.24 178.08 2ddr h ARG 62 N 0.24 0.62 -0.27 3.56 2.43 -0.88 -0.71 114.38 119.37 2ddr h ARG 62 Ca 0.03 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2ddr h ARG 62 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2ddr h ARG 62 CO 0.05 0.82 0.11 1.25 -1.51 0.00 0.00 179.97 180.68 2ddr h LEU 63 N 0.39 0.37 -0.98 3.80 5.85 -0.60 -0.34 115.31 123.79 2ddr h LEU 63 Ca 0.08 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ddr h LEU 63 Cb 0.61 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2ddr h LEU 63 CO 0.04 0.43 0.62 -0.07 -0.34 0.00 0.00 178.44 179.12 2ddr h LEU 64 N 0.28 1.15 -0.88 2.25 3.38 -0.97 -1.09 115.31 119.43 2ddr h LEU 64 Ca 0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2ddr h LEU 64 Cb 0.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2ddr h LEU 64 CO -0.01 0.86 0.14 1.23 0.09 0.00 0.00 178.44 180.75 2ddr h GLY 65 N 1.34 1.04 2.00 0.83 0.00 -0.75 -1.58 103.07 105.95 2ddr h GLY 65 Ca 0.36 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2ddr h GLY 65 CO -0.07 0.59 -0.25 3.43 0.00 0.00 0.00 176.54 180.24 2ddr h ASN 66 N 0.92 0.00 0.32 0.19 2.35 -0.21 -2.69 115.58 116.47 2ddr h ASN 66 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2ddr h ASN 66 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2ddr h ASN 66 CO 0.00 0.25 -0.39 0.18 -1.65 0.00 0.00 177.43 175.82 2ddr n LEU 67 N -3.56 0.85 -0.36 1.61 4.77 -0.49 -4.35 117.00 115.47 2ddr n LEU 67 Ca -0.01 -0.18 0.01 0.00 -0.03 0.00 0.00 56.01 55.80 2ddr n LEU 67 Cb 0.40 -0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.48 2ddr n LEU 67 CO 0.34 0.17 1.25 0.50 -1.33 0.00 0.00 177.39 178.32 2ddr h LYS 68 N 0.72 1.12 -0.02 3.23 1.63 -0.95 0.25 116.57 122.55 2ddr h LYS 68 Ca 0.00 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2ddr h LYS 68 Cb 0.51 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2ddr h LYS 68 CO 0.00 0.74 -0.31 -0.22 -3.45 0.00 0.00 179.45 176.21 2ddr h LYS 69 N 1.15 -0.44 0.01 1.90 1.63 -1.77 -1.24 116.57 117.82 2ddr h LYS 69 Ca 0.41 0.03 -0.26 0.00 -0.85 0.00 0.00 60.65 59.98 2ddr h LYS 69 Cb 0.12 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 2ddr h LYS 69 CO -0.16 -0.29 -1.39 1.49 -3.45 0.00 0.00 179.45 175.65 2ddr h GLU 70 N -0.45 0.03 -2.34 1.90 4.81 -1.84 -3.40 114.58 113.29 2ddr h GLU 70 Ca 0.07 -0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.65 2ddr h GLU 70 Cb 0.55 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 29.54 2ddr h GLU 70 CO -0.28 0.78 -0.73 0.66 -0.73 0.00 0.00 179.01 178.72 2ddr n TYR 71 N -3.22 2.38 0.28 0.92 4.01 0.88 -4.38 117.16 118.03 2ddr n TYR 71 Ca -0.10 -4.00 0.18 0.00 -0.16 0.00 0.00 57.90 53.82 2ddr n TYR 71 Cb 1.00 -0.46 0.75 0.00 -0.31 0.00 0.00 39.34 40.32 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 4.49 0.00 -5.55 -0.72 0.13 -1.23 -3.37 132.00 125.74 2ddr h PRO 72 Ca 0.17 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.66 2ddr h PRO 72 Cb 0.74 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.74 2ddr h PRO 72 CO 0.70 0.02 0.20 -0.80 -0.23 0.00 0.00 178.00 177.89 2ddr s ASN 73 N -5.66 6.41 0.04 1.44 0.01 -0.89 -4.98 114.94 111.31 2ddr s ASN 73 Ca 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.17 2ddr s ASN 73 Cb 0.10 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2ddr s ASN 73 CO 0.53 -0.71 -0.07 -1.10 -1.51 0.00 0.00 177.10 174.24 2ddr s GLN 74 N 2.88 0.48 0.50 -0.60 -0.21 -1.26 -0.07 119.66 121.39 2ddr s GLN 74 Ca 0.26 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.96 2ddr s GLN 74 Cb -0.14 -0.24 0.02 0.00 1.00 0.00 0.00 33.01 33.65 2ddr s GLN 74 CO 0.17 0.04 0.72 0.95 -2.12 0.00 0.00 175.29 175.05 2ddr s THR 75 N -1.29 3.31 0.97 -0.19 -4.23 -0.27 -5.01 115.64 108.92 2ddr s THR 75 Ca -0.10 -0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 59.65 2ddr s THR 75 Cb -0.09 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.71 2ddr s THR 75 CO 0.00 -0.16 1.26 0.00 -0.54 0.00 0.00 174.62 175.19 2ddr s ALA 76 N -2.65 2.03 -0.16 3.99 0.00 -1.26 -4.67 121.76 119.04 2ddr s ALA 76 Ca 0.53 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 2ddr s ALA 76 Cb -0.10 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2ddr s ALA 76 CO 0.38 -2.49 0.61 0.08 0.00 0.00 0.00 175.76 174.34 2ddr s VAL 77 N -3.68 5.05 -0.01 0.00 1.01 -1.26 -4.62 120.40 116.88 2ddr s VAL 77 Ca 0.71 1.19 -0.40 0.00 0.00 0.00 0.00 61.98 63.48 2ddr s VAL 77 Cb -0.06 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 2ddr s VAL 77 CO 0.53 0.17 1.15 -0.11 0.00 0.00 0.00 175.10 176.84 2ddr n LEU 78 N 4.60 0.36 -0.09 3.92 7.94 0.43 -1.99 117.00 132.18 2ddr n LEU 78 Ca -0.02 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 56.02 2ddr n LEU 78 Cb 0.50 -0.97 -0.00 0.00 0.53 0.00 0.00 43.42 43.48 2ddr n LEU 78 CO 0.44 -1.69 -0.01 0.61 -1.11 0.00 0.00 177.39 175.63 2ddr n GLY 79 N 1.82 0.37 0.07 -3.96 0.00 -1.26 -0.29 105.19 101.94 2ddr n GLY 79 Ca 0.20 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.34 0.63 -3.84 1.61 0.63 -0.84 -4.52 116.66 108.99 2ddr n ARG 80 Ca -0.01 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2ddr n ARG 80 Cb 0.24 -1.70 -0.00 0.00 0.45 0.00 0.00 32.46 31.45 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 -5.09 -0.14 -0.14 6.15 1.04 -1.26 -5.08 113.70 109.19 2ddr s SER 81 Ca -0.04 -0.85 0.20 0.00 0.48 0.00 0.00 55.95 55.74 2ddr s SER 81 Cb 0.11 0.78 0.40 0.00 0.10 0.00 0.00 66.02 67.40 2ddr s SER 81 CO 0.84 -1.49 1.18 -1.54 0.98 0.00 0.00 173.24 173.21 2ddr n SER 82 N -0.87 0.59 -1.50 7.02 3.41 -1.26 -5.04 113.62 115.98 2ddr n SER 82 Ca -0.06 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 2ddr n SER 82 Cb 0.59 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.24 0.60 0.00 5.00 0.00 -1.26 -4.93 105.19 104.36 2ddr n GLY 83 Ca -0.02 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.23 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 0.08 1.61 3.41 -1.26 -2.11 113.62 115.35 2ddr n SER 84 Ca 0.00 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.44 2ddr n SER 84 Cb 0.00 -0.06 0.44 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.06 0.13 -5.24 4.33 0.00 -1.26 -4.54 120.64 112.99 2ddr n GLU 85 Ca 0.08 0.30 -0.31 0.00 0.00 0.00 0.00 57.16 57.23 2ddr n GLU 85 Cb 0.05 -1.72 -0.16 0.00 0.00 0.00 0.00 31.44 29.62 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 -3.16 2.37 0.23 -1.84 0.52 -0.90 -4.72 118.94 111.44 2ddr s TRP 86 Ca 0.07 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.82 2ddr s TRP 86 Cb 0.11 -1.51 0.23 0.00 -1.15 0.00 0.00 33.47 31.15 2ddr s TRP 86 CO 0.40 -0.01 1.55 -0.44 0.02 0.00 0.00 176.95 178.47 2ddr h ASP 87 N 5.45 0.29 -4.35 2.95 3.32 -0.80 -3.45 116.42 119.82 2ddr h ASP 87 Ca -0.44 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.34 2ddr h ASP 87 Cb 1.12 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.37 2ddr h ASP 87 CO 0.47 0.83 -0.20 -0.54 -1.72 0.00 0.00 179.24 178.08 2ddr s LYS 88 N -3.75 0.61 -0.27 3.56 1.02 -1.25 -5.06 119.74 114.60 2ddr s LYS 88 Ca -0.04 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.27 2ddr s LYS 88 Cb 0.12 0.28 0.06 0.00 -0.52 0.00 0.00 37.83 37.77 2ddr s LYS 88 CO 0.80 -0.12 -0.07 0.99 -0.92 0.00 0.00 175.35 176.02 2ddr s THR 89 N -0.42 2.43 0.32 2.17 2.01 -1.26 -2.09 115.64 118.80 2ddr s THR 89 Ca -0.05 -1.58 0.08 0.00 0.31 0.00 0.00 61.69 60.44 2ddr s THR 89 Cb -0.03 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2ddr s THR 89 CO 0.03 -0.07 0.19 -0.76 -0.69 0.00 0.00 174.62 173.32 2ddr s LEU 90 N 1.14 3.48 0.00 4.42 1.43 0.57 -5.01 118.68 124.72 2ddr s LEU 90 Ca -0.07 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2ddr s LEU 90 Cb -0.20 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2ddr s LEU 90 CO -0.04 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.91 2ddr n GLY 91 N -1.21 -1.88 1.90 -3.19 0.00 -1.26 -1.28 105.19 98.25 2ddr n GLY 91 Ca -0.04 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 0.61 4.66 -4.75 1.61 4.05 -0.47 -4.75 115.26 116.22 2ddr n ASN 92 Ca 0.00 -2.33 -0.41 0.00 0.45 0.00 0.00 54.58 52.29 2ddr n ASN 92 Cb 0.00 -1.17 -0.02 0.00 1.23 0.00 0.00 39.78 39.82 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 0.91 2.92 -0.05 1.20 5.04 -1.26 -4.91 117.35 121.20 2ddr s TYR 93 Ca 0.40 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 2ddr s TYR 93 Cb 0.19 -3.87 0.02 0.00 0.35 0.00 0.00 41.96 38.65 2ddr s TYR 93 CO 0.00 -2.77 -0.05 0.45 -1.34 0.00 0.00 175.55 171.84 2ddr s SER 94 N 0.21 1.10 0.00 4.32 0.15 -1.26 -5.01 113.70 113.20 2ddr s SER 94 Ca 0.58 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 57.35 2ddr s SER 94 Cb -0.43 -0.50 1.32 0.00 -1.71 0.00 0.00 66.02 64.70 2ddr s SER 94 CO 0.48 -0.05 1.88 -1.54 1.20 0.00 0.00 173.24 175.20 2ddr n SER 95 N 4.10 0.75 -0.91 5.45 3.41 -1.26 -3.62 113.62 121.55 2ddr n SER 95 Ca -0.23 -1.34 0.08 0.00 -0.26 0.00 0.00 58.87 57.11 2ddr n SER 95 Cb 0.51 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.38 3.31 -4.79 4.04 3.41 -1.26 -5.00 113.62 112.95 2ddr n SER 96 Ca 0.19 -2.00 -0.34 0.00 -0.26 0.00 0.00 58.87 56.47 2ddr n SER 96 Cb 0.22 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.00 3.66 -0.39 6.66 -4.23 -1.24 -4.94 115.64 114.15 2ddr s THR 97 Ca 0.33 0.94 0.27 0.00 -1.18 0.00 0.00 61.69 62.04 2ddr s THR 97 Cb 0.17 -3.38 0.32 0.00 1.34 0.00 0.00 72.50 70.95 2ddr s THR 97 CO 0.22 -0.31 1.76 -0.65 -0.54 0.00 0.00 174.62 175.11 2ddr h PRO 98 N 1.07 0.00 -3.95 3.99 0.11 -1.95 -3.46 132.00 127.81 2ddr h PRO 98 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2ddr h PRO 98 Cb 1.23 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.20 2ddr h PRO 98 CO 0.58 0.00 -0.46 -2.00 -0.21 0.00 0.00 178.00 175.91 2ddr s GLU 99 N -3.31 0.81 0.60 1.05 2.56 -1.18 -5.06 118.70 114.17 2ddr s GLU 99 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 54.97 53.98 2ddr s GLU 99 Cb 0.09 0.31 0.12 0.00 2.00 0.00 0.00 34.13 36.64 2ddr s GLU 99 CO 0.57 -0.24 0.83 -0.40 -0.56 0.00 0.00 175.26 175.46 2ddr n ASP 100 N -0.03 1.22 0.15 -1.70 5.68 -1.26 -3.90 116.55 116.71 2ddr n ASP 100 Ca -0.14 -2.01 0.13 0.00 -0.50 0.00 0.00 54.79 52.27 2ddr n ASP 100 Cb 0.62 -0.53 0.43 0.00 -1.14 0.00 0.00 41.12 40.51 2ddr n ASP 100 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2ddr h GLY 101 N -0.44 0.00 -0.34 6.12 0.00 0.13 -3.41 103.07 105.12 2ddr h GLY 101 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 2ddr h GLY 101 CO 0.30 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 177.32 2ddr n GLY 102 N 0.73 0.88 3.47 4.60 0.00 -1.24 -4.68 105.19 108.96 2ddr n GLY 102 Ca 0.04 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.06 3.23 0.03 1.61 1.01 -1.26 -0.84 120.40 122.12 2ddr s VAL 103 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2ddr s VAL 103 Cb 0.00 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2ddr s VAL 103 CO 0.00 0.57 0.31 0.00 0.00 0.00 0.00 175.10 175.98 2ddr s ALA 104 N -0.42 -0.71 -0.04 5.51 0.00 -0.93 -0.43 121.76 124.74 2ddr s ALA 104 Ca 0.05 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2ddr s ALA 104 Cb -0.12 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 2ddr s ALA 104 CO 0.02 -0.38 -0.15 0.42 0.00 0.00 0.00 175.76 175.67 2ddr s ILE 105 N -2.27 1.26 0.15 0.00 1.01 -1.26 -0.76 121.20 119.32 2ddr s ILE 105 Ca -0.07 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2ddr s ILE 105 Cb -0.02 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2ddr s ILE 105 CO -0.02 0.37 -0.16 0.68 0.00 0.00 0.00 174.94 175.81 2ddr s VAL 106 N 0.06 1.60 0.10 2.92 -7.23 -0.41 -1.12 120.40 116.32 2ddr s VAL 106 Ca -0.03 -1.85 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 2ddr s VAL 106 Cb -0.11 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 35.16 2ddr s VAL 106 CO 0.02 -0.38 0.46 -0.55 -0.31 0.00 0.00 175.10 174.34 2ddr s SER 107 N -2.61 -0.34 0.00 4.85 0.15 0.90 -0.80 113.70 115.86 2ddr s SER 107 Ca 0.13 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.93 2ddr s SER 107 Cb -0.05 0.49 0.74 0.00 -1.71 0.00 0.00 66.02 65.49 2ddr s SER 107 CO 0.05 -0.82 1.56 2.29 1.20 0.00 0.00 173.24 177.52 2ddr n LYS 108 N -0.01 0.98 -4.19 5.44 2.85 -0.97 -2.09 118.16 120.16 2ddr n LYS 108 Ca -0.17 -0.60 -0.26 0.00 -1.05 0.00 0.00 58.31 56.23 2ddr n LYS 108 Cb 0.63 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.45 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 -2.43 2.89 0.28 5.58 0.52 -1.26 -4.89 118.94 119.63 2ddr s TRP 109 Ca 0.26 -0.12 -0.30 0.00 0.02 0.00 0.00 56.10 55.95 2ddr s TRP 109 Cb 0.19 -1.39 -0.12 0.00 -1.15 0.00 0.00 33.47 31.01 2ddr s TRP 109 CO 0.50 0.53 1.54 -2.30 0.02 0.00 0.00 176.95 177.24 2ddr n PRO 110 N -0.25 2.54 -3.56 4.98 -0.02 -1.26 -4.72 135.00 132.71 2ddr n PRO 110 Ca -0.09 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 2ddr n PRO 110 Cb 0.55 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 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 -0.07 5.24 -0.03 4.25 1.01 -1.26 -1.46 121.20 128.87 2ddr s ILE 111 Ca 0.64 -0.10 0.12 0.00 0.00 0.00 0.00 60.65 61.31 2ddr s ILE 111 Cb -0.53 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 2ddr s ILE 111 CO 0.49 0.08 1.16 0.00 0.00 0.00 0.00 174.94 176.68 2ddr h ALA 112 N 8.44 0.57 -3.12 9.38 0.00 -0.58 -3.47 119.26 130.48 2ddr h ALA 112 Ca -0.33 -0.84 -0.17 0.00 0.00 0.00 0.00 54.91 53.58 2ddr h ALA 112 Cb 1.17 0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 2ddr h ALA 112 CO 0.60 1.04 -0.45 -1.21 0.00 0.00 0.00 179.25 179.24 2ddr s GLU 113 N -2.81 0.30 -0.09 0.00 2.02 -1.16 -4.95 118.70 112.01 2ddr s GLU 113 Ca 0.00 0.23 -0.02 0.00 0.02 0.00 0.00 54.97 55.21 2ddr s GLU 113 Cb 0.09 0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.49 2ddr s GLU 113 CO 0.80 -0.04 0.00 0.15 0.02 0.00 0.00 175.26 176.18 2ddr s LYS 114 N -0.07 0.64 -0.01 1.61 1.02 -1.26 -1.91 119.74 119.77 2ddr s LYS 114 Ca -0.02 0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.03 2ddr s LYS 114 Cb -0.02 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 2ddr s LYS 114 CO 0.01 -0.35 -0.09 0.42 -0.92 0.00 0.00 175.35 174.42 2ddr s ILE 115 N 1.95 0.71 0.06 2.17 1.01 -0.39 -0.17 121.20 126.54 2ddr s ILE 115 Ca 0.04 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.39 2ddr s ILE 115 Cb -0.13 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 2ddr s ILE 115 CO -0.06 0.20 -0.18 0.00 0.00 0.00 0.00 174.94 174.91 2ddr s GLN 116 N -0.17 1.99 -0.04 2.79 -2.07 -0.89 -0.17 119.66 121.11 2ddr s GLN 116 Ca 0.03 -1.03 -0.01 0.00 -1.82 0.00 0.00 55.36 52.53 2ddr s GLN 116 Cb -0.04 -2.17 0.03 0.00 -1.09 0.00 0.00 33.01 29.74 2ddr s GLN 116 CO -0.00 0.52 0.02 -0.47 -1.32 0.00 0.00 175.29 174.04 2ddr s TYR 117 N -0.99 0.30 -0.24 9.60 5.04 -0.16 -0.32 117.35 130.59 2ddr s TYR 117 Ca 0.16 0.05 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 2ddr s TYR 117 Cb -0.11 -0.51 -0.04 0.00 0.35 0.00 0.00 41.96 41.65 2ddr s TYR 117 CO 0.07 -0.19 0.13 0.08 -1.34 0.00 0.00 175.55 174.30 2ddr s VAL 118 N 1.57 5.07 0.49 3.14 1.01 -0.41 -0.63 120.40 130.65 2ddr s VAL 118 Ca -0.02 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 2ddr s VAL 118 Cb -0.13 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 2ddr s VAL 118 CO -0.03 0.34 1.17 0.49 0.00 0.00 0.00 175.10 177.08 2ddr n PHE 119 N 4.42 1.69 0.08 5.22 0.99 -0.13 -1.37 117.46 128.37 2ddr n PHE 119 Ca -0.15 0.48 -0.07 0.00 -0.00 0.00 0.00 57.45 57.71 2ddr n PHE 119 Cb 0.52 -2.29 -0.04 0.00 -1.00 0.00 0.00 39.48 36.67 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 1.45 0.50 -2.47 4.37 0.00 -1.94 -3.39 119.26 117.77 2ddr h ALA 120 Ca -0.48 -0.80 -0.49 0.00 0.00 0.00 0.00 54.91 53.14 2ddr h ALA 120 Cb 1.32 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 2ddr h ALA 120 CO 0.56 1.08 -0.75 0.15 0.00 0.00 0.00 179.25 180.29 2ddr s LYS 121 N -2.98 1.33 -0.05 0.00 1.02 -1.26 -5.00 119.74 112.80 2ddr s LYS 121 Ca -0.00 -1.53 -0.31 0.00 0.02 0.00 0.00 55.97 54.15 2ddr s LYS 121 Cb 0.10 -1.24 0.11 0.00 -0.52 0.00 0.00 37.83 36.29 2ddr s LYS 121 CO 0.81 0.22 1.07 0.20 -0.92 0.00 0.00 175.35 176.74 2ddr s GLY 122 N -3.09 -0.36 0.00 -3.33 0.00 -1.26 -4.93 107.32 94.35 2ddr s GLY 122 Ca 0.20 1.03 0.13 0.00 0.00 0.00 0.00 44.72 46.08 2ddr s GLY 122 CO 0.07 0.32 1.39 0.00 0.00 0.00 0.00 173.10 174.88 2ddr n LEU 128 N -1.40 0.00 0.00 0.00 4.77 -1.26 -5.22 117.00 113.89 2ddr n LEU 128 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ddr n LEU 128 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2ddr n LEU 128 CO 0.11 0.00 0.06 -0.24 -1.33 0.00 0.00 177.39 176.00 2ddr n SER 129 N 0.00 0.00 -4.18 -1.43 2.88 -1.25 -3.12 113.62 106.52 2ddr n SER 129 Ca 0.00 -1.00 -0.36 0.00 -1.33 0.00 0.00 58.87 56.18 2ddr n SER 129 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -3.57 -4.74 -3.46 3.02 -1.25 -0.91 115.26 104.35 2ddr n ASN 130 Ca 0.00 -0.98 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 2ddr n ASN 130 Cb 0.49 -2.91 0.06 0.00 -0.61 0.00 0.00 39.78 36.81 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 -6.89 2.63 0.00 3.52 -0.14 -1.26 -3.68 119.74 113.92 2ddr s LYS 131 Ca 0.74 1.90 0.00 0.00 -1.36 0.00 0.00 55.97 57.26 2ddr s LYS 131 Cb -0.40 -1.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.87 2ddr s LYS 131 CO 0.91 -1.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.42 2ddr n GLY 132 N 0.63 -0.78 3.19 -3.33 0.00 -1.26 -0.96 105.19 102.68 2ddr n GLY 132 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.48 -0.12 1.61 -0.12 0.20 -3.59 117.98 112.44 2ddr s PHE 133 Ca 0.00 -0.91 0.03 0.00 -0.05 0.00 0.00 56.93 56.00 2ddr s PHE 133 Cb 0.00 -0.25 0.01 0.00 -0.63 0.00 0.00 43.02 42.15 2ddr s PHE 133 CO 0.00 -0.53 -0.23 0.08 -0.05 0.00 0.00 175.22 174.49 2ddr s VAL 134 N -3.95 2.09 -0.12 -2.49 1.01 0.08 -0.99 120.40 116.03 2ddr s VAL 134 Ca 0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2ddr s VAL 134 Cb 0.06 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2ddr s VAL 134 CO -0.05 0.55 0.01 -0.47 0.00 0.00 0.00 175.10 175.14 2ddr s TYR 135 N 0.61 3.17 0.00 5.22 5.04 0.77 -0.88 117.35 131.28 2ddr s TYR 135 Ca -0.12 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.61 2ddr s TYR 135 Cb -0.17 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 2ddr s TYR 135 CO 0.03 0.31 -0.05 0.95 -1.34 0.00 0.00 175.55 175.45 2ddr s THR 136 N -0.38 0.41 -0.23 4.34 -4.23 -0.27 -1.26 115.64 114.02 2ddr s THR 136 Ca 0.08 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 2ddr s THR 136 Cb -0.12 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.35 2ddr s THR 136 CO 0.02 0.05 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.38 2ddr s LYS 137 N -0.29 3.33 -0.04 3.99 2.20 -0.80 -1.08 119.74 127.04 2ddr s LYS 137 Ca 0.00 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2ddr s LYS 137 Cb -0.03 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2ddr s LYS 137 CO -0.00 -0.24 -0.23 0.42 -0.36 0.00 0.00 175.35 174.94 2ddr s ILE 138 N 1.48 2.27 -0.60 5.43 1.01 0.73 0.24 121.20 131.77 2ddr s ILE 138 Ca 0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2ddr s ILE 138 Cb -0.15 -1.82 0.12 0.00 0.01 0.00 0.00 42.46 40.62 2ddr s ILE 138 CO -0.02 0.58 0.63 -0.75 0.00 0.00 0.00 174.94 175.38 2ddr s LYS 139 N -0.45 3.08 -0.38 2.79 2.47 -0.53 -0.06 119.74 126.66 2ddr s LYS 139 Ca 0.05 -1.58 -0.12 0.00 -1.56 0.00 0.00 55.97 52.76 2ddr s LYS 139 Cb -0.12 -4.31 0.03 0.00 -1.46 0.00 0.00 37.83 31.97 2ddr s LYS 139 CO 0.01 -1.44 0.22 0.21 0.16 0.00 0.00 175.35 174.51 2ddr s LYS 140 N 2.04 2.86 -1.05 4.03 2.20 0.14 -4.12 119.74 125.84 2ddr s LYS 140 Ca 0.09 -1.06 -0.18 0.00 -0.36 0.00 0.00 55.97 54.46 2ddr s LYS 140 Cb -0.25 -3.77 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 2ddr s LYS 140 CO 0.03 -0.70 0.73 0.09 -0.36 0.00 0.00 175.35 175.14 2ddr n ASN 141 N 5.02 -5.26 -0.81 1.43 4.13 -1.26 -1.47 115.26 117.04 2ddr n ASN 141 Ca -0.12 -0.97 -0.11 0.00 1.68 0.00 0.00 54.58 55.07 2ddr n ASN 141 Cb 0.46 -2.89 -0.05 0.00 -1.54 0.00 0.00 39.78 35.77 2ddr n ASN 141 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2ddr n ASP 142 N -2.46 -5.22 -3.98 6.41 -0.08 -1.26 -4.97 116.55 104.99 2ddr n ASP 142 Ca -0.13 0.26 -0.22 0.00 -1.51 0.00 0.00 54.79 53.18 2ddr n ASP 142 Cb 0.60 -3.65 -0.16 0.00 2.34 0.00 0.00 41.12 40.25 2ddr n ASP 142 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2ddr s ARG 143 N -2.75 1.32 -0.20 -0.67 3.52 -0.54 -5.12 118.95 114.50 2ddr s ARG 143 Ca 0.00 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.09 2ddr s ARG 143 Cb 0.00 -1.15 -0.03 0.00 -1.56 0.00 0.00 34.95 32.21 2ddr s ARG 143 CO 0.00 0.01 0.63 -0.06 -0.81 0.00 0.00 175.30 175.06 2ddr s PHE 144 N 0.68 3.37 0.19 5.12 2.99 -1.26 0.24 117.98 129.31 2ddr s PHE 144 Ca -0.12 0.93 0.10 0.00 0.00 0.00 0.00 56.93 57.83 2ddr s PHE 144 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 43.02 40.03 2ddr s PHE 144 CO 0.02 -0.17 -0.15 0.14 -0.00 0.00 0.00 175.22 175.06 2ddr s VAL 145 N 1.91 2.87 -0.12 -0.44 -7.23 0.91 -4.38 120.40 113.92 2ddr s VAL 145 Ca 0.29 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2ddr s VAL 145 Cb -0.16 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.38 2ddr s VAL 145 CO 0.10 -0.12 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.56 2ddr s HIS 146 N -1.72 2.43 -0.11 2.82 0.09 -0.06 -0.19 115.29 118.55 2ddr s HIS 146 Ca 0.24 -1.14 0.01 0.00 -0.00 0.00 0.00 55.06 54.16 2ddr s HIS 146 Cb -0.08 -1.67 0.02 0.00 -0.00 0.00 0.00 32.58 30.85 2ddr s HIS 146 CO 0.13 -0.52 -0.12 0.08 -0.00 0.00 0.00 174.74 174.32 2ddr s VAL 147 N 0.72 1.30 -0.19 -0.90 1.01 -0.24 -0.34 120.40 121.76 2ddr s VAL 147 Ca -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2ddr s VAL 147 Cb -0.16 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2ddr s VAL 147 CO 0.01 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 174.85 2ddr s ILE 148 N 1.27 3.67 -0.09 2.22 1.01 0.14 -1.11 121.20 128.31 2ddr s ILE 148 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2ddr s ILE 148 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 2ddr s ILE 148 CO -0.05 0.45 -0.08 -0.83 0.00 0.00 0.00 174.94 174.43 2ddr s GLY 149 N 0.92 1.66 0.28 6.18 0.00 -0.06 -0.38 107.32 115.92 2ddr s GLY 149 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 2ddr s GLY 149 CO 0.01 -0.50 0.44 -1.08 0.00 0.00 0.00 173.10 171.97 2ddr s THR 150 N -0.41 0.00 -0.23 0.90 -1.32 0.00 -0.74 115.64 113.85 2ddr s THR 150 Ca 0.06 -1.55 -0.03 0.00 -1.21 0.00 0.00 61.69 58.96 2ddr s THR 150 Cb -0.12 -2.42 0.12 0.00 -1.51 0.00 0.00 72.50 68.57 2ddr s THR 150 CO 0.02 0.00 0.33 -2.28 -2.21 0.00 0.00 174.62 170.49 2ddr s HIS 151 N -3.66 -0.67 0.66 9.09 2.46 -1.24 -2.87 115.29 119.07 2ddr s HIS 151 Ca 0.27 0.68 -0.05 0.00 0.47 0.00 0.00 55.06 56.43 2ddr s HIS 151 Cb 0.00 -0.08 0.05 0.00 -0.13 0.00 0.00 32.58 32.43 2ddr s HIS 151 CO 0.13 -0.68 0.95 -0.51 -2.47 0.00 0.00 174.74 172.16 2ddr s LEU 152 N 2.49 2.94 0.07 8.88 1.43 -0.55 -4.46 118.68 129.49 2ddr s LEU 152 Ca 0.11 0.34 -0.36 0.00 -1.03 0.00 0.00 54.13 53.19 2ddr s LEU 152 Cb -0.15 -3.06 -0.16 0.00 0.03 0.00 0.00 46.19 42.85 2ddr s LEU 152 CO -0.15 -1.47 1.47 1.67 0.23 0.00 0.00 176.35 178.11 2ddr n GLN 153 N -2.77 1.50 -2.12 1.70 -0.06 -1.26 -4.76 117.38 109.61 2ddr n GLN 153 Ca 0.08 0.54 -0.29 0.00 -2.00 0.00 0.00 57.00 55.33 2ddr n GLN 153 Cb 0.60 -2.24 0.04 0.00 -4.06 0.00 0.00 30.24 24.58 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 1.04 3.09 0.16 1.69 0.00 -1.26 -4.79 121.76 121.70 2ddr s ALA 154 Ca 0.84 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 2ddr s ALA 154 Cb -0.87 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 2ddr s ALA 154 CO 0.46 -0.93 1.10 -2.00 0.00 0.00 0.00 175.76 174.39 2ddr s GLU 155 N -5.17 4.58 0.00 0.00 2.56 -1.26 -4.90 118.70 114.50 2ddr s GLU 155 Ca 0.56 1.71 0.00 0.00 0.00 0.00 0.00 54.97 57.23 2ddr s GLU 155 Cb -0.11 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.73 2ddr s GLU 155 CO 0.49 0.04 0.00 0.45 -0.56 0.00 0.00 175.26 175.68 2ddr n SER 163 N 2.60 0.00 -0.23 -1.70 2.88 -1.26 -5.11 113.62 110.80 2ddr n SER 163 Ca 0.03 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.64 2ddr n SER 163 Cb 0.46 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.25 2ddr n SER 163 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2ddr h PRO 164 N 0.00 0.79 -0.78 -1.46 0.11 -1.97 -0.54 132.00 128.15 2ddr h PRO 164 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2ddr h PRO 164 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 2ddr h PRO 164 CO 0.00 0.52 0.38 0.00 -0.21 0.00 0.00 178.00 178.69 2ddr h ALA 165 N 1.58 1.20 -0.68 -0.75 0.00 -1.94 0.10 119.26 118.77 2ddr h ALA 165 Ca 0.35 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2ddr h ALA 165 Cb 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ddr h ALA 165 CO -0.13 0.61 0.15 0.77 0.00 0.00 0.00 179.25 180.65 2ddr h SER 166 N 1.11 1.05 -0.21 0.00 0.02 -1.57 -1.00 113.55 112.94 2ddr h SER 166 Ca 0.27 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2ddr h SER 166 Cb 0.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2ddr h SER 166 CO -0.04 1.02 -0.02 0.58 -1.14 0.00 0.00 176.83 177.23 2ddr h VAL 167 N 1.04 1.27 -0.83 2.27 2.07 -0.60 -2.22 116.25 119.25 2ddr h VAL 167 Ca 0.21 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2ddr h VAL 167 Cb 0.39 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2ddr h VAL 167 CO 0.01 0.29 0.47 0.03 0.02 0.00 0.00 177.57 178.39 2ddr h ARG 168 N 0.14 1.14 -0.52 1.57 3.08 -0.63 -0.12 114.38 119.04 2ddr h ARG 168 Ca 0.06 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2ddr h ARG 168 Cb 0.44 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2ddr h ARG 168 CO 0.02 0.82 0.07 1.15 -1.07 0.00 0.00 179.97 180.96 2ddr h THR 169 N 1.15 1.23 -0.40 2.04 2.02 -1.08 0.21 112.91 118.08 2ddr h THR 169 Ca 0.29 -0.90 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 2ddr h THR 169 Cb -0.01 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2ddr h THR 169 CO -0.05 0.33 -0.23 -1.13 0.37 0.00 0.00 175.52 174.81 2ddr h ASN 170 N 0.78 0.81 -0.31 4.18 -0.73 -0.69 -0.49 115.58 119.13 2ddr h ASN 170 Ca 0.16 -0.30 -0.11 0.00 1.87 0.00 0.00 56.30 57.93 2ddr h ASN 170 Cb 0.37 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2ddr h ASN 170 CO 0.01 1.01 -0.23 1.56 -0.37 0.00 0.00 177.43 179.41 2ddr h GLN 171 N 0.69 0.71 -0.39 6.67 4.20 -0.41 -2.19 115.11 124.39 2ddr h GLN 171 Ca 0.09 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2ddr h GLN 171 Cb 0.75 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2ddr h GLN 171 CO 0.06 0.95 0.12 -0.07 -0.67 0.00 0.00 178.83 179.23 2ddr h LEU 172 N 0.47 0.52 -0.76 1.46 3.38 -0.45 -1.87 115.31 118.04 2ddr h LEU 172 Ca 0.06 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2ddr h LEU 172 Cb 0.79 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2ddr h LEU 172 CO 0.06 0.50 -0.08 0.50 0.09 0.00 0.00 178.44 179.51 2ddr h LYS 173 N 0.56 0.86 -0.38 1.13 1.63 -0.83 -1.73 116.57 117.82 2ddr h LYS 173 Ca 0.13 -0.28 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 2ddr h LYS 173 Cb 0.17 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2ddr h LYS 173 CO -0.01 0.91 -0.05 0.93 -3.45 0.00 0.00 179.45 177.78 2ddr h GLU 174 N 0.78 0.62 -0.03 1.90 5.08 -0.73 0.27 114.58 122.47 2ddr h GLU 174 Ca 0.13 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2ddr h GLU 174 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ddr h GLU 174 CO 0.04 0.67 -0.00 0.82 -1.00 0.00 0.00 179.01 179.54 2ddr h ILE 175 N 0.58 1.27 -0.64 3.13 2.04 -1.00 -1.58 117.51 121.31 2ddr h ILE 175 Ca 0.11 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ddr h ILE 175 Cb 0.44 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2ddr h ILE 175 CO 0.02 0.22 0.41 -0.61 0.00 0.00 0.00 178.15 178.19 2ddr h GLN 176 N -0.27 0.85 -0.93 2.37 -0.00 -1.12 -1.11 115.11 114.90 2ddr h GLN 176 Ca 0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2ddr h GLN 176 Cb 0.35 -0.19 -0.05 0.00 0.00 0.00 0.00 27.48 27.60 2ddr h GLN 176 CO 0.00 0.58 0.57 -0.44 0.00 0.00 0.00 178.83 179.54 2ddr h ASP 177 N 0.86 1.11 -0.23 -0.69 3.45 -0.90 -1.10 116.42 118.92 2ddr h ASP 177 Ca 0.23 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 2ddr h ASP 177 Cb -0.08 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.40 2ddr h ASP 177 CO -0.05 0.84 0.05 0.15 -1.57 0.00 0.00 179.24 178.66 2ddr h PHE 178 N 1.28 0.39 -0.30 4.55 3.57 -0.69 -1.38 116.94 124.37 2ddr h PHE 178 Ca 0.34 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.81 2ddr h PHE 178 Cb -0.07 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2ddr h PHE 178 CO 0.00 0.48 0.12 0.82 -2.23 0.00 0.00 178.31 177.51 2ddr h ILE 179 N 0.19 0.94 -0.57 1.41 2.04 -0.85 -1.27 117.51 119.41 2ddr h ILE 179 Ca 0.07 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2ddr h ILE 179 Cb 0.30 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2ddr h ILE 179 CO 0.00 0.05 0.36 0.50 0.00 0.00 0.00 178.15 179.07 2ddr h LYS 180 N 0.27 0.75 0.00 2.37 3.64 -1.13 -2.52 116.57 119.95 2ddr h LYS 180 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2ddr h LYS 180 Cb 0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2ddr h LYS 180 CO -0.12 0.51 -0.18 -0.97 -2.27 0.00 0.00 179.45 176.43 2ddr h ASN 181 N 0.77 0.00 1.03 4.20 -0.00 -0.89 -2.97 115.58 117.71 2ddr h ASN 181 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 2ddr h ASN 181 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 2ddr h ASN 181 CO -0.04 0.18 0.00 0.50 -0.00 0.00 0.00 177.43 178.07 2ddr h LYS 182 N 0.00 0.00 -5.81 6.67 1.63 -0.78 -3.47 116.57 114.81 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 0.47 0.00 0.13 0.00 -0.60 0.00 0.00 32.23 32.23 2ddr h LYS 182 CO 0.02 0.00 -0.81 -1.71 -3.45 0.00 0.00 179.45 173.50 2ddr n ASN 183 N -3.05 -2.46 -4.74 4.20 4.05 -1.12 -4.96 115.26 107.18 2ddr n ASN 183 Ca 0.01 -0.72 -0.41 0.00 0.45 0.00 0.00 54.58 53.91 2ddr n ASN 183 Cb 0.31 -4.67 -0.05 0.00 1.23 0.00 0.00 39.78 36.59 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 -3.48 4.36 0.33 -1.44 1.01 -1.26 -4.98 121.20 115.74 2ddr s ILE 184 Ca 0.08 2.04 -0.26 0.00 0.00 0.00 0.00 60.65 62.51 2ddr s ILE 184 Cb -0.02 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.01 2ddr s ILE 184 CO 0.77 0.39 0.80 -2.65 0.00 0.00 0.00 174.94 174.25 2ddr n PRO 185 N 2.30 0.92 0.00 2.79 -0.02 -1.26 -4.84 135.00 134.89 2ddr n PRO 185 Ca 0.00 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2ddr n PRO 185 Cb 0.48 -1.65 0.57 0.00 -0.02 0.00 0.00 33.50 32.89 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 1.26 0.00 -1.19 2.55 2.04 -1.26 -2.83 115.26 115.83 2ddr n ASN 186 Ca 0.11 0.04 0.09 0.00 -0.44 0.00 0.00 54.58 54.38 2ddr n ASN 186 Cb 0.34 -0.32 0.28 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 -1.32 3.94 -4.48 0.53 6.94 -1.26 -1.33 115.26 118.28 2ddr n ASN 187 Ca 0.10 -2.25 -0.30 0.00 -0.02 0.00 0.00 54.58 52.11 2ddr n ASN 187 Cb 0.20 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.47 1.97 0.08 -3.83 2.02 -1.13 -4.66 118.70 111.68 2ddr s GLU 188 Ca 0.42 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 2ddr s GLU 188 Cb 0.25 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2ddr s GLU 188 CO 0.23 0.51 1.07 0.71 0.02 0.00 0.00 175.26 177.80 2ddr s TYR 189 N -1.05 3.61 -0.23 1.61 2.02 -1.26 -1.65 117.35 120.40 2ddr s TYR 189 Ca 0.17 1.58 0.01 0.00 -0.37 0.00 0.00 57.07 58.46 2ddr s TYR 189 Cb -0.11 -3.23 0.05 0.00 -0.40 0.00 0.00 41.96 38.28 2ddr s TYR 189 CO 0.08 -0.48 -0.09 0.08 -1.57 0.00 0.00 175.55 173.57 2ddr s VAL 190 N 0.56 1.75 -0.00 0.71 1.01 -1.26 -0.88 120.40 122.29 2ddr s VAL 190 Ca 0.52 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2ddr s VAL 190 Cb -0.26 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2ddr s VAL 190 CO 0.30 0.02 -0.00 -0.76 0.00 0.00 0.00 175.10 174.65 2ddr s LEU 191 N 1.31 3.49 -0.15 3.92 1.43 0.54 -0.88 118.68 128.35 2ddr s LEU 191 Ca -0.05 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2ddr s LEU 191 Cb -0.18 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2ddr s LEU 191 CO -0.07 0.28 -0.14 -0.63 0.23 0.00 0.00 176.35 176.02 2ddr s ILE 192 N -1.07 1.58 0.06 -0.59 1.09 0.54 -0.69 121.20 122.13 2ddr s ILE 192 Ca 0.19 -0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 59.08 2ddr s ILE 192 Cb -0.11 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.77 2ddr s ILE 192 CO 0.10 0.46 0.01 -0.83 -0.10 0.00 0.00 174.94 174.58 2ddr s GLY 193 N 1.43 0.46 0.00 6.18 0.00 0.48 -1.07 107.32 114.81 2ddr s GLY 193 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2ddr s GLY 193 CO -0.10 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.37 2ddr n GLY 194 N 0.06 1.00 3.47 0.20 0.00 0.04 -0.82 105.19 109.15 2ddr n GLY 194 Ca -0.13 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 6.22 0.23 1.61 -1.08 -1.14 -1.66 116.67 116.87 2ddr s ASP 195 Ca 0.00 -1.03 0.26 0.00 -0.52 0.00 0.00 52.55 51.26 2ddr s ASP 195 Cb 0.00 -2.44 0.77 0.00 -1.46 0.00 0.00 42.92 39.79 2ddr s ASP 195 CO 0.00 -1.47 1.76 0.24 0.52 0.00 0.00 175.17 176.22 2ddr h MET 196 N 9.58 0.00 -2.49 4.34 2.86 -1.42 -1.45 114.93 126.35 2ddr h MET 196 Ca -0.23 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.02 2ddr h MET 196 Cb 1.06 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.66 2ddr h MET 196 CO 1.20 0.00 -0.46 0.09 1.06 0.00 0.00 176.91 178.80 2ddr n ASN 197 N -2.34 -5.50 -4.24 1.22 3.02 -1.17 -4.52 115.26 101.74 2ddr n ASN 197 Ca 0.05 0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 2ddr n ASN 197 Cb 0.44 -4.67 -0.14 0.00 -0.61 0.00 0.00 39.78 34.80 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 -2.88 3.14 -0.11 2.41 1.01 -1.26 -4.85 120.40 117.85 2ddr s VAL 198 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2ddr s VAL 198 Cb 0.00 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2ddr s VAL 198 CO 0.00 0.18 0.96 0.21 0.00 0.00 0.00 175.10 176.45 2ddr s ASN 199 N 1.37 7.18 0.04 3.32 2.47 -1.25 -4.27 114.94 123.80 2ddr s ASN 199 Ca 0.01 1.45 0.10 0.00 0.42 0.00 0.00 52.86 54.84 2ddr s ASN 199 Cb -0.17 -2.53 -0.21 0.00 -1.45 0.00 0.00 41.25 36.89 2ddr s ASN 199 CO -0.03 -0.42 0.96 0.50 -3.72 0.00 0.00 177.10 174.39 2ddr h LYS 200 N 7.12 0.00 -6.36 0.43 3.64 -1.79 -3.41 116.57 116.20 2ddr h LYS 200 Ca -0.31 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.47 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 0.85 0.71 1.00 -0.89 -2.27 0.00 0.00 179.45 178.85 2ddr n ILE 201 N -3.18 0.38 -2.24 2.00 5.41 -1.26 -1.68 119.36 118.79 2ddr n ILE 201 Ca -0.09 -0.07 -0.18 0.00 1.00 0.00 0.00 62.75 63.42 2ddr n ILE 201 Cb 0.99 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 38.13 2ddr n ILE 201 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2ddr n ASN 202 N 5.53 -5.15 0.00 4.38 5.15 -1.26 -4.85 115.26 119.06 2ddr n ASN 202 Ca 0.20 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 2ddr n ASN 202 Cb 0.30 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 2ddr n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ddr n ALA 203 N -1.47 0.80 0.27 5.20 0.00 -0.68 -4.83 120.51 119.80 2ddr n ALA 203 Ca -0.21 -0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.23 2ddr n ALA 203 Cb 0.65 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.77 2ddr n ALA 203 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddr h GLU 204 N 0.00 0.00 -0.00 0.00 5.08 -1.89 -3.04 114.58 114.73 2ddr h GLU 204 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ddr h GLU 204 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ddr h GLU 204 CO 0.00 0.04 -0.69 0.09 -1.00 0.00 0.00 179.01 177.45 2ddr n ASN 205 N -3.16 1.10 -4.39 1.42 3.02 -1.26 -4.83 115.26 107.17 2ddr n ASN 205 Ca 0.00 -1.05 -0.44 0.00 -0.03 0.00 0.00 54.58 53.06 2ddr n ASN 205 Cb 0.31 0.85 -0.05 0.00 -0.61 0.00 0.00 39.78 40.28 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 -2.48 6.19 0.25 6.41 3.84 -1.15 -4.90 114.94 123.09 2ddr s ASN 206 Ca 0.09 -1.33 0.19 0.00 0.21 0.00 0.00 52.86 52.02 2ddr s ASN 206 Cb 0.14 -2.31 0.95 0.00 -0.55 0.00 0.00 41.25 39.47 2ddr s ASN 206 CO 0.64 -1.12 1.58 -3.20 -2.79 0.00 0.00 177.10 172.21 2ddr n ASN 207 N 6.45 0.49 -1.20 -4.21 5.15 -1.26 -1.14 115.26 119.53 2ddr n ASN 207 Ca -0.09 0.69 0.09 0.00 -0.60 0.00 0.00 54.58 54.68 2ddr n ASN 207 Cb 0.43 -0.77 0.28 0.00 -0.53 0.00 0.00 39.78 39.20 2ddr n ASN 207 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2ddr n ASP 208 N -2.12 3.94 -4.84 1.20 5.75 -1.26 -4.66 116.55 114.56 2ddr n ASP 208 Ca -0.00 -2.23 -0.31 0.00 -0.01 0.00 0.00 54.79 52.25 2ddr n ASP 208 Cb 0.09 -0.45 0.05 0.00 -1.03 0.00 0.00 41.12 39.77 2ddr n ASP 208 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2ddr s SER 209 N -1.05 5.45 0.30 -1.12 1.04 -0.29 -4.91 113.70 113.12 2ddr s SER 209 Ca 0.42 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.33 2ddr s SER 209 Cb 0.25 -2.33 0.49 0.00 0.10 0.00 0.00 66.02 64.52 2ddr s SER 209 CO 0.24 -1.37 1.78 -0.08 0.98 0.00 0.00 173.24 174.79 2ddr h GLU 210 N -0.67 0.50 -0.40 4.02 4.81 -1.92 -1.70 114.58 119.22 2ddr h GLU 210 Ca -0.45 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2ddr h GLU 210 Cb 1.22 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2ddr h GLU 210 CO 0.59 0.64 0.25 -0.92 -0.73 0.00 0.00 179.01 178.84 2ddr h TYR 211 N 0.46 0.46 -0.41 0.92 3.20 -1.88 -0.96 116.97 118.76 2ddr h TYR 211 Ca 0.08 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 2ddr h TYR 211 Cb 0.53 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2ddr h TYR 211 CO 0.02 0.28 -0.18 0.00 -1.64 0.00 0.00 178.16 176.64 2ddr h ALA 212 N 1.16 0.93 0.00 1.82 0.00 -1.73 -2.90 119.26 118.54 2ddr h ALA 212 Ca 0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2ddr h ALA 212 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ddr h ALA 212 CO -0.05 0.62 -0.24 0.77 0.00 0.00 0.00 179.25 180.35 2ddr h SER 213 N 0.68 0.00 -0.30 0.00 0.02 -0.81 -3.10 113.55 110.04 2ddr h SER 213 Ca 0.10 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2ddr h SER 213 Cb 0.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2ddr h SER 213 CO 0.05 0.24 0.19 -0.03 -1.14 0.00 0.00 176.83 176.14 2ddr h MET 214 N 0.00 0.38 -0.30 3.45 -1.53 -0.97 0.35 114.93 116.32 2ddr h MET 214 Ca -0.00 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.15 2ddr h MET 214 Cb 0.52 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.47 2ddr h MET 214 CO 0.03 0.25 -0.16 0.74 0.14 0.00 0.00 176.91 177.92 2ddr h PHE 215 N 0.39 0.57 -0.13 1.39 0.04 -1.65 -1.68 116.94 115.88 2ddr h PHE 215 Ca 0.11 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.62 2ddr h PHE 215 Cb -0.03 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 37.98 2ddr h PHE 215 CO -0.06 0.66 -0.57 0.87 -0.60 0.00 0.00 178.31 178.61 2ddr h LYS 216 N 0.48 0.62 -0.66 1.51 1.57 -1.47 0.34 116.57 118.95 2ddr h LYS 216 Ca 0.08 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 2ddr h LYS 216 Cb 0.55 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2ddr h LYS 216 CO 0.04 1.11 0.17 1.15 -0.57 0.00 0.00 179.45 181.35 2ddr h THR 217 N 0.27 1.25 0.00 -0.16 2.02 -0.83 -2.54 112.91 112.92 2ddr h THR 217 Ca -0.03 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2ddr h THR 217 Cb 1.20 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2ddr h THR 217 CO 0.12 0.35 -0.46 0.18 0.37 0.00 0.00 175.52 176.07 2ddr n LEU 218 N -4.25 0.47 -3.62 2.58 4.77 -0.64 -4.75 117.00 111.56 2ddr n LEU 218 Ca 0.05 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 2ddr n LEU 218 Cb 0.24 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2ddr n LEU 218 CO 0.41 0.08 0.11 0.59 -1.33 0.00 0.00 177.39 177.26 2ddr n ASN 219 N -1.60 -3.62 -4.65 -1.43 3.02 0.94 -4.76 115.26 103.16 2ddr n ASN 219 Ca 0.05 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.70 2ddr n ASN 219 Cb 0.35 -4.66 -0.07 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.41 3.21 0.45 5.41 0.00 0.25 -0.27 121.76 127.40 2ddr s ALA 220 Ca 0.29 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.53 2ddr s ALA 220 Cb -0.13 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2ddr s ALA 220 CO 0.76 0.20 0.66 -1.54 0.00 0.00 0.00 175.76 175.85 2ddr s SER 221 N -3.70 5.82 -0.22 0.00 1.04 -0.57 -4.68 113.70 111.39 2ddr s SER 221 Ca 0.33 0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.83 2ddr s SER 221 Cb -0.05 -1.48 -0.03 0.00 0.10 0.00 0.00 66.02 64.56 2ddr s SER 221 CO 0.20 -0.70 0.46 -0.69 0.98 0.00 0.00 173.24 173.49 2ddr s VAL 222 N -2.54 5.14 0.71 5.02 1.01 -1.26 -4.45 120.40 124.03 2ddr s VAL 222 Ca 0.49 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 2ddr s VAL 222 Cb -0.10 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2ddr s VAL 222 CO 0.37 0.19 1.09 -2.16 0.00 0.00 0.00 175.10 174.59 2ddr s PRO 223 N 1.67 2.79 0.00 2.72 0.04 -1.26 -5.01 135.00 135.95 2ddr s PRO 223 Ca 0.21 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.35 2ddr s PRO 223 Cb -0.15 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2ddr s PRO 223 CO 0.09 -1.06 1.03 -1.12 0.04 0.00 0.00 177.00 175.98 2ddr s SER 224 N -4.38 7.29 -0.17 6.66 0.01 0.76 -4.85 113.70 119.02 2ddr s SER 224 Ca 0.58 1.73 -0.11 0.00 1.31 0.00 0.00 55.95 59.46 2ddr s SER 224 Cb -0.11 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2ddr s SER 224 CO 0.51 -0.33 0.20 -0.31 0.41 0.00 0.00 173.24 173.72 2ddr s TYR 225 N 1.12 3.46 0.18 2.43 1.51 -1.26 -0.33 117.35 124.47 2ddr s TYR 225 Ca 0.53 0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 57.04 2ddr s TYR 225 Cb -0.23 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.38 2ddr s TYR 225 CO 0.27 0.33 0.14 0.95 -1.11 0.00 0.00 175.55 176.13 2ddr s THR 226 N 0.21 0.03 0.00 -0.71 -4.23 -0.63 -4.96 115.64 105.34 2ddr s THR 226 Ca 0.12 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2ddr s THR 226 Cb -0.12 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2ddr s THR 226 CO 0.01 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2ddr n GLY 227 N -0.23 -0.85 3.72 3.99 0.00 -1.26 -1.73 105.19 108.83 2ddr n GLY 227 Ca -0.01 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 2.01 -2.21 1.61 5.65 -0.53 -4.81 115.29 117.01 2ddr s HIS 228 Ca 0.00 1.62 0.22 0.00 0.25 0.00 0.00 55.06 57.15 2ddr s HIS 228 Cb 0.00 -3.45 0.96 0.00 -1.18 0.00 0.00 32.58 28.91 2ddr s HIS 228 CO 0.00 -2.62 1.66 0.25 -0.65 0.00 0.00 174.74 173.38 2ddr n THR 229 N -2.93 0.11 -3.69 0.89 -2.24 -1.26 -4.54 114.28 100.62 2ddr n THR 229 Ca 0.13 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2ddr n THR 229 Cb 0.50 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.89 -1.06 -0.14 6.98 0.00 -1.26 -4.73 121.76 119.67 2ddr s ALA 230 Ca 0.33 0.60 0.18 0.00 0.00 0.00 0.00 51.96 53.06 2ddr s ALA 230 Cb 0.17 0.07 -0.27 0.00 0.00 0.00 0.00 23.12 23.08 2ddr s ALA 230 CO 0.26 -0.30 0.45 0.25 0.00 0.00 0.00 175.76 176.43 2ddr n THR 231 N 1.15 0.00 -3.79 0.00 -2.24 -0.02 -4.74 114.28 104.63 2ddr n THR 231 Ca -0.21 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 2ddr n THR 231 Cb 0.56 0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.18 1.98 -0.31 4.78 -0.00 -0.68 0.15 118.94 121.69 2ddr s TRP 232 Ca -0.05 -1.83 0.00 0.00 -0.00 0.00 0.00 56.10 54.22 2ddr s TRP 232 Cb 0.12 -1.81 0.10 0.00 -0.00 0.00 0.00 33.47 31.88 2ddr s TRP 232 CO 0.75 -0.86 0.08 0.34 -0.00 0.00 0.00 176.95 177.26 2ddr s ASP 233 N 1.52 4.14 0.07 5.86 -1.08 -1.26 -0.54 116.67 125.39 2ddr s ASP 233 Ca 0.08 -1.69 0.16 0.00 -0.52 0.00 0.00 52.55 50.58 2ddr s ASP 233 Cb -0.18 -1.04 0.70 0.00 -1.46 0.00 0.00 42.92 40.94 2ddr s ASP 233 CO -0.20 -0.39 1.51 0.00 0.52 0.00 0.00 175.17 176.61 2ddr n ALA 234 N 4.71 1.63 1.10 3.66 0.00 -1.26 -0.53 120.51 129.82 2ddr n ALA 234 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.55 2ddr n ALA 234 Cb 0.42 -1.27 0.42 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 -1.70 0.00 0.00 0.00 -2.24 -1.26 -4.08 114.28 105.00 2ddr n THR 235 Ca 0.03 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2ddr n THR 235 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.32 0.00 -3.66 4.28 -2.24 -0.99 -5.07 114.28 105.28 2ddr n THR 236 Ca 0.08 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 2ddr n THR 236 Cb 0.33 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.05 6.08 0.36 3.42 3.84 0.31 -5.00 114.94 123.90 2ddr s ASN 237 Ca 0.00 0.09 0.06 0.00 0.21 0.00 0.00 52.86 53.21 2ddr s ASN 237 Cb 0.00 -2.10 0.70 0.00 -0.55 0.00 0.00 41.25 39.30 2ddr s ASN 237 CO 0.00 0.05 1.94 0.77 -2.79 0.00 0.00 177.10 177.07 2ddr h SER 238 N 7.64 0.47 -0.00 -4.21 4.64 -1.90 -0.66 113.55 119.53 2ddr h SER 238 Ca -0.38 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.79 2ddr h SER 238 Cb 1.17 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2ddr h SER 238 CO 0.64 0.47 -0.35 0.40 -0.87 0.00 0.00 176.83 177.12 2ddr h ILE 239 N 0.50 1.51 -0.42 0.95 2.04 -1.93 -2.85 117.51 117.32 2ddr h ILE 239 Ca 0.12 -1.99 -0.02 0.00 1.00 0.00 0.00 64.86 63.97 2ddr h ILE 239 Cb 0.20 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2ddr h ILE 239 CO -0.00 0.55 0.17 0.00 0.00 0.00 0.00 178.15 178.87 2ddr h ALA 240 N 0.27 1.51 -0.64 1.87 0.00 -1.78 -1.98 119.26 118.52 2ddr h ALA 240 Ca -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2ddr h ALA 240 Cb 1.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2ddr h ALA 240 CO 0.07 0.38 0.19 -0.22 0.00 0.00 0.00 179.25 179.67 2ddr h LYS 241 N 0.59 0.97 -0.23 0.00 3.64 -1.14 0.16 116.57 120.55 2ddr h LYS 241 Ca 0.14 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2ddr h LYS 241 Cb 0.12 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2ddr h LYS 241 CO -0.01 0.83 -0.04 -0.92 -2.27 0.00 0.00 179.45 177.04 2ddr h TYR 242 N 0.94 0.49 -0.06 1.91 3.20 -1.12 -2.09 116.97 120.23 2ddr h TYR 242 Ca 0.21 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2ddr h TYR 242 Cb 0.27 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2ddr h TYR 242 CO 0.02 0.65 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.12 2ddr h ASN 243 N 0.19 0.24 -1.94 -2.11 -0.26 -1.29 -3.41 115.58 106.99 2ddr h ASN 243 Ca 0.06 -0.60 -0.55 0.00 -0.56 0.00 0.00 56.30 54.65 2ddr h ASN 243 Cb 0.48 -0.07 -0.38 0.00 -1.06 0.00 0.00 38.32 37.29 2ddr h ASN 243 CO 0.02 0.80 -1.09 0.49 -1.06 0.00 0.00 177.43 176.58 2ddr n PHE 244 N -4.60 -0.46 -0.07 1.19 3.01 0.03 -5.00 117.46 111.57 2ddr n PHE 244 Ca -0.08 -3.51 0.23 0.00 1.01 0.00 0.00 57.45 55.11 2ddr n PHE 244 Cb 0.40 -0.29 0.70 0.00 -0.01 0.00 0.00 39.48 40.28 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 4.00 0.00 -0.51 -1.08 0.13 -1.48 -2.20 132.00 130.86 2ddr h PRO 245 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2ddr h PRO 245 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2ddr h PRO 245 CO 0.46 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 2ddr n ASP 246 N -4.33 3.46 -4.72 1.44 8.00 -1.26 -4.80 116.55 114.34 2ddr n ASP 246 Ca 0.13 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.25 2ddr n ASP 246 Cb 0.75 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.11 7.32 0.53 -2.24 0.01 -0.83 -5.01 113.70 112.36 2ddr s SER 247 Ca 0.38 1.58 -0.22 0.00 1.31 0.00 0.00 55.95 59.00 2ddr s SER 247 Cb 0.20 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.84 2ddr s SER 247 CO 0.27 -0.15 1.36 -2.84 0.41 0.00 0.00 173.24 172.29 2ddr s PRO 248 N 0.60 3.26 0.54 12.44 0.02 -1.26 -4.49 135.00 146.11 2ddr s PRO 248 Ca 0.47 2.25 -0.22 0.00 0.02 0.00 0.00 61.00 63.52 2ddr s PRO 248 Cb -0.21 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 2ddr s PRO 248 CO 0.26 -1.10 1.30 0.00 -0.33 0.00 0.00 177.00 177.13 2ddr n ALA 249 N -0.86 1.35 -2.39 -1.55 0.00 -1.26 -4.86 120.51 110.95 2ddr n ALA 249 Ca 0.09 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 2ddr n ALA 249 Cb 0.45 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.80 1.13 -0.34 0.00 2.02 0.30 -4.99 118.70 114.03 2ddr s GLU 250 Ca 0.71 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 54.33 2ddr s GLU 250 Cb -0.43 -0.92 0.10 0.00 0.10 0.00 0.00 34.13 32.98 2ddr s GLU 250 CO 0.50 0.16 0.05 -0.47 0.02 0.00 0.00 175.26 175.51 2ddr s TYR 251 N -2.67 3.68 0.00 1.61 5.04 -1.26 -0.84 117.35 122.91 2ddr s TYR 251 Ca 0.15 -2.85 0.00 0.00 -2.44 0.00 0.00 57.07 51.93 2ddr s TYR 251 Cb -0.02 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.46 2ddr s TYR 251 CO 0.04 -0.94 0.07 1.28 -1.34 0.00 0.00 175.55 174.66 2ddr n LEU 252 N 4.31 0.14 -4.64 6.97 4.77 -1.26 -1.94 117.00 125.36 2ddr n LEU 252 Ca 0.01 -0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 55.12 2ddr n LEU 252 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2ddr n LEU 252 CO 0.23 0.04 -0.28 -1.81 -1.33 0.00 0.00 177.39 174.23 2ddr s ASP 253 N -0.75 5.40 0.12 -1.43 1.01 -1.26 -1.11 116.67 118.64 2ddr s ASP 253 Ca 0.00 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 2ddr s ASP 253 Cb 0.00 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 2ddr s ASP 253 CO 0.00 0.25 0.13 -0.31 0.21 0.00 0.00 175.17 175.45 2ddr s TYR 254 N -0.07 0.55 -0.25 4.23 1.51 -0.66 -4.98 117.35 117.68 2ddr s TYR 254 Ca 0.05 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.12 2ddr s TYR 254 Cb -0.12 -0.27 0.11 0.00 -0.11 0.00 0.00 41.96 41.57 2ddr s TYR 254 CO 0.02 -0.56 0.22 0.42 -1.11 0.00 0.00 175.55 174.53 2ddr s ILE 255 N -3.97 -0.29 0.23 2.71 1.01 -1.26 -0.78 121.20 118.86 2ddr s ILE 255 Ca 0.16 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.52 2ddr s ILE 255 Cb 0.06 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 2ddr s ILE 255 CO -0.03 -0.40 -0.14 0.27 0.00 0.00 0.00 174.94 174.64 2ddr s ILE 256 N 2.28 1.85 -0.05 2.92 -4.36 -0.23 -4.89 121.20 118.73 2ddr s ILE 256 Ca 0.08 -2.23 -0.01 0.00 -0.26 0.00 0.00 60.65 58.23 2ddr s ILE 256 Cb -0.15 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 2ddr s ILE 256 CO -0.24 -0.52 0.03 0.00 0.24 0.00 0.00 174.94 174.46 2ddr s ALA 257 N -2.90 3.41 0.10 2.27 0.00 -1.26 -0.34 121.76 123.05 2ddr s ALA 257 Ca 0.25 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2ddr s ALA 257 Cb -0.01 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 2ddr s ALA 257 CO 0.09 0.63 1.21 0.45 0.00 0.00 0.00 175.76 178.14 2ddr s SER 258 N -1.29 7.07 0.21 0.00 0.15 -0.05 -1.51 113.70 118.27 2ddr s SER 258 Ca 0.18 2.09 0.26 0.00 0.70 0.00 0.00 55.95 59.17 2ddr s SER 258 Cb -0.12 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.48 2ddr s SER 258 CO 0.07 -0.45 1.77 0.29 1.20 0.00 0.00 173.24 176.12 2ddr n LYS 259 N 3.52 0.23 -0.01 5.44 5.02 0.63 -2.90 118.16 130.08 2ddr n LYS 259 Ca 0.08 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.73 2ddr n LYS 259 Cb 0.46 -1.80 0.64 0.00 -0.02 0.00 0.00 35.03 34.31 2ddr n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2ddr n ASP 260 N -2.20 0.19 0.00 4.39 8.00 -1.26 -4.83 116.55 120.84 2ddr n ASP 260 Ca 0.05 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.21 2ddr n ASP 260 Cb 0.37 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.72 0.00 -1.64 1.24 8.25 -1.14 -4.68 115.22 116.53 2ddr n HIS 261 Ca 0.17 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 57.15 2ddr n HIS 261 Cb 0.11 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 2ddr n HIS 261 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ddr n ALA 262 N -3.00 1.03 -2.57 -1.41 0.00 -0.44 -4.86 120.51 109.26 2ddr n ALA 262 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2ddr n ALA 262 Cb 0.00 -2.56 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 2ddr n ALA 262 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ddr s ASN 263 N 5.12 6.46 0.29 0.00 -0.87 -1.26 -4.63 114.94 120.05 2ddr s ASN 263 Ca 0.96 0.14 -0.30 0.00 -1.57 0.00 0.00 52.86 52.10 2ddr s ASN 263 Cb -0.67 -2.36 -0.11 0.00 -0.02 0.00 0.00 41.25 38.09 2ddr s ASN 263 CO 0.49 -0.71 1.59 -2.84 -2.57 0.00 0.00 177.10 173.06 2ddr s PRO 264 N 2.96 4.13 0.47 -0.60 0.02 -1.26 -4.87 135.00 135.85 2ddr s PRO 264 Ca 0.28 2.57 0.24 0.00 0.02 0.00 0.00 61.00 64.10 2ddr s PRO 264 Cb -0.14 -3.03 1.15 0.00 0.02 0.00 0.00 34.50 32.51 2ddr s PRO 264 CO 0.17 -0.63 1.95 0.66 -0.33 0.00 0.00 177.00 178.82 2ddr h SER 265 N 4.90 0.00 -3.19 2.53 4.64 -1.96 -3.42 113.55 117.04 2ddr h SER 265 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 2ddr h SER 265 Cb 1.22 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.06 2ddr h SER 265 CO 0.80 0.20 -0.23 -0.47 -0.87 0.00 0.00 176.83 176.26 2ddr s TYR 266 N -4.00 -0.70 -0.07 4.77 5.04 -1.26 -5.03 117.35 116.09 2ddr s TYR 266 Ca -0.02 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 2ddr s TYR 266 Cb 0.12 0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.82 2ddr s TYR 266 CO 0.62 -0.38 0.14 -1.50 -1.34 0.00 0.00 175.55 173.10 2ddr s ILE 267 N 1.43 -0.21 0.03 3.14 2.07 -1.26 -0.91 121.20 125.50 2ddr s ILE 267 Ca -0.10 0.34 0.07 0.00 -1.41 0.00 0.00 60.65 59.55 2ddr s ILE 267 Cb -0.08 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2ddr s ILE 267 CO -0.14 0.14 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.16 2ddr s GLU 268 N 2.10 2.13 -0.24 3.50 2.12 -0.31 -0.17 118.70 127.82 2ddr s GLU 268 Ca 0.01 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.42 2ddr s GLU 268 Cb -0.12 -2.22 0.06 0.00 0.26 0.00 0.00 34.13 32.11 2ddr s GLU 268 CO -0.05 0.55 -0.10 -0.80 -0.54 0.00 0.00 175.26 174.32 2ddr s ASN 269 N -1.39 4.09 -0.20 -1.70 0.02 0.56 -1.77 114.94 114.55 2ddr s ASN 269 Ca 0.15 -1.24 -0.04 0.00 -1.02 0.00 0.00 52.86 50.71 2ddr s ASN 269 Cb -0.11 -1.41 -0.02 0.00 0.02 0.00 0.00 41.25 39.74 2ddr s ASN 269 CO 0.05 -0.19 -0.03 -0.75 0.02 0.00 0.00 177.10 176.20 2ddr s LYS 270 N 1.22 3.49 -0.24 -0.60 2.20 0.37 -1.60 119.74 124.58 2ddr s LYS 270 Ca -0.06 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 2ddr s LYS 270 Cb -0.19 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2ddr s LYS 270 CO -0.06 -0.05 0.66 0.08 -0.36 0.00 0.00 175.35 175.62 2ddr s VAL 271 N 1.12 4.97 0.28 4.02 1.01 -0.70 -0.31 120.40 130.79 2ddr s VAL 271 Ca 0.02 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2ddr s VAL 271 Cb -0.15 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2ddr s VAL 271 CO 0.00 0.04 0.46 -0.76 0.00 0.00 0.00 175.10 174.84 2ddr s LEU 272 N 2.38 4.14 -0.49 3.92 1.43 -0.74 -1.45 118.68 127.86 2ddr s LEU 272 Ca 0.28 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.84 2ddr s LEU 272 Cb -0.16 -3.20 0.33 0.00 0.03 0.00 0.00 46.19 43.20 2ddr s LEU 272 CO 0.09 -0.17 0.83 0.00 0.23 0.00 0.00 176.35 177.33 2ddr n GLN 273 N -1.31 2.17 -2.43 1.70 6.02 -1.26 -4.14 117.38 118.13 2ddr n GLN 273 Ca -0.05 -4.19 -0.41 0.00 -0.01 0.00 0.00 57.00 52.34 2ddr n GLN 273 Cb 0.55 -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 4.53 -0.08 -1.09 0.04 -1.26 -5.03 135.00 129.24 2ddr s PRO 274 Ca 0.44 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 2ddr s PRO 274 Cb 0.29 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2ddr s PRO 274 CO -0.11 -0.01 0.05 0.15 0.04 0.00 0.00 177.00 177.12 2ddr s LYS 275 N -0.37 3.11 0.49 4.56 -0.14 -1.26 -4.63 119.74 121.49 2ddr s LYS 275 Ca 0.51 -0.35 -0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2ddr s LYS 275 Cb -0.31 -2.90 0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2ddr s LYS 275 CO 0.36 0.72 0.73 -1.54 -0.76 0.00 0.00 175.35 174.86 2ddr s SER 276 N -1.02 5.68 0.74 2.83 1.04 0.25 -4.97 113.70 118.24 2ddr s SER 276 Ca 0.15 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 2ddr s SER 276 Cb -0.12 -1.42 0.04 0.00 0.10 0.00 0.00 66.02 64.62 2ddr s SER 276 CO 0.04 -0.85 1.16 -2.84 0.98 0.00 0.00 173.24 171.74 2ddr s PRO 277 N -4.66 2.19 0.25 4.02 0.02 -1.26 -4.60 135.00 130.96 2ddr s PRO 277 Ca 0.51 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 2ddr s PRO 277 Cb -0.10 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 2ddr s PRO 277 CO 0.39 -1.76 1.46 -0.65 -0.33 0.00 0.00 177.00 176.11 2ddr s GLN 278 N -4.13 4.25 0.07 5.54 -0.21 -1.26 -4.68 119.66 119.23 2ddr s GLN 278 Ca 0.70 2.34 0.05 0.00 0.02 0.00 0.00 55.36 58.46 2ddr s GLN 278 Cb -0.25 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2ddr s GLN 278 CO 0.47 -0.45 -0.13 1.67 -2.12 0.00 0.00 175.29 174.73 2ddr s TRP 279 N -0.01 1.13 0.06 0.91 1.48 -0.62 -4.99 118.94 116.90 2ddr s TRP 279 Ca 0.60 -0.49 0.06 0.00 -1.06 0.00 0.00 56.10 55.21 2ddr s TRP 279 Cb -0.43 -0.63 -0.03 0.00 -1.16 0.00 0.00 33.47 31.23 2ddr s TRP 279 CO 0.44 0.03 -0.17 0.99 -4.06 0.00 0.00 176.95 174.18 2ddr s THR 280 N -1.47 1.37 0.16 0.66 2.01 -1.26 -1.24 115.64 115.87 2ddr s THR 280 Ca -0.02 -1.22 0.03 0.00 0.31 0.00 0.00 61.69 60.80 2ddr s THR 280 Cb -0.09 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2ddr s THR 280 CO 0.02 -0.00 -0.05 0.68 -0.69 0.00 0.00 174.62 174.57 2ddr s VAL 281 N -0.98 0.93 -0.06 3.82 -7.23 -0.01 -4.97 120.40 111.90 2ddr s VAL 281 Ca 0.03 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2ddr s VAL 281 Cb -0.09 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 2ddr s VAL 281 CO 0.02 -0.62 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.11 2ddr s THR 282 N -3.48 1.58 -0.14 5.32 2.01 -1.26 -0.64 115.64 119.04 2ddr s THR 282 Ca 0.20 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 2ddr s THR 282 Cb 0.04 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.24 2ddr s THR 282 CO 0.02 0.45 0.32 -0.44 -0.69 0.00 0.00 174.62 174.28 2ddr s SER 283 N 0.15 -0.27 -1.28 3.53 0.01 0.26 -4.85 113.70 111.26 2ddr s SER 283 Ca -0.08 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 57.85 2ddr s SER 283 Cb -0.14 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.73 2ddr s SER 283 CO 0.04 -0.19 0.89 0.79 0.41 0.00 0.00 173.24 175.18 2ddr n TRP 284 N 4.45 -2.14 -1.17 2.43 8.01 -1.26 -1.22 117.44 126.54 2ddr n TRP 284 Ca -0.21 0.90 -0.06 0.00 -1.31 0.00 0.00 57.50 56.82 2ddr n TRP 284 Cb 0.53 -4.72 -0.03 0.00 -2.01 0.00 0.00 31.31 25.08 2ddr n TRP 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2ddr n PHE 285 N -4.30 -0.01 -5.09 -5.99 3.01 -1.26 -4.95 117.46 98.87 2ddr n PHE 285 Ca -0.25 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.89 2ddr n PHE 285 Cb 0.65 -2.43 -0.15 0.00 -0.01 0.00 0.00 39.48 37.54 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 -2.52 2.60 -0.08 -1.08 -1.52 -0.36 -5.12 119.66 111.58 2ddr s GLN 286 Ca 0.00 -0.81 -0.13 0.00 -1.95 0.00 0.00 55.36 52.47 2ddr s GLN 286 Cb 0.00 -2.28 -0.05 0.00 -0.22 0.00 0.00 33.01 30.46 2ddr s GLN 286 CO 0.00 0.46 0.31 0.15 -0.25 0.00 0.00 175.29 175.96 2ddr s LYS 287 N -0.32 3.92 -0.03 2.91 1.02 -1.26 -0.57 119.74 125.40 2ddr s LYS 287 Ca 0.02 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.24 2ddr s LYS 287 Cb -0.13 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 33.90 2ddr s LYS 287 CO 0.02 0.56 -0.16 0.71 -0.92 0.00 0.00 175.35 175.56 2ddr s TYR 288 N -0.54 1.58 -0.04 3.18 1.51 0.19 -4.99 117.35 118.25 2ddr s TYR 288 Ca 0.20 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 2ddr s TYR 288 Cb -0.14 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2ddr s TYR 288 CO 0.08 -0.12 -0.25 0.99 -1.11 0.00 0.00 175.55 175.13 2ddr s THR 289 N -0.05 2.04 0.17 -0.71 2.01 -1.26 -0.83 115.64 117.00 2ddr s THR 289 Ca -0.01 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.93 2ddr s THR 289 Cb -0.10 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 2ddr s THR 289 CO 0.01 0.57 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.17 2ddr s TYR 290 N -0.41 1.26 -0.09 4.92 1.51 -0.37 -4.98 117.35 119.19 2ddr s TYR 290 Ca 0.04 -0.91 0.23 0.00 -1.01 0.00 0.00 57.07 55.41 2ddr s TYR 290 Cb -0.12 -0.70 0.44 0.00 -0.11 0.00 0.00 41.96 41.48 2ddr s TYR 290 CO 0.01 -0.09 1.17 0.27 -1.11 0.00 0.00 175.55 175.80 2ddr n ASN 291 N -0.24 1.34 -4.27 2.29 6.94 -1.26 -1.59 115.26 118.47 2ddr n ASN 291 Ca -0.08 -2.32 -0.24 0.00 -0.02 0.00 0.00 54.58 51.92 2ddr n ASN 291 Cb 0.62 -0.36 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 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 -2.56 2.45 0.27 0.53 1.01 -1.26 -0.58 116.67 116.53 2ddr s ASP 292 Ca 0.34 -0.63 0.14 0.00 0.71 0.00 0.00 52.55 53.11 2ddr s ASP 292 Cb 0.38 -0.15 0.05 0.00 1.01 0.00 0.00 42.92 44.21 2ddr s ASP 292 CO -0.13 0.08 1.44 1.88 0.21 0.00 0.00 175.17 178.65 2ddr h TYR 293 N 4.32 0.00 -2.67 4.23 -1.99 -1.92 -3.44 116.97 115.50 2ddr h TYR 293 Ca -0.45 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.40 2ddr h TYR 293 Cb 1.18 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.85 2ddr h TYR 293 CO 0.58 0.55 0.38 0.45 -0.00 0.00 0.00 178.16 180.12 2ddr s SER 294 N -6.48 -0.16 0.01 3.88 0.15 -1.26 -4.84 113.70 105.00 2ddr s SER 294 Ca 0.04 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.37 2ddr s SER 294 Cb 0.08 0.62 1.04 0.00 -1.71 0.00 0.00 66.02 66.05 2ddr s SER 294 CO 0.75 -1.16 1.80 -0.90 1.20 0.00 0.00 173.24 174.93 2ddr n ASP 295 N -0.67 0.16 -4.71 5.45 5.75 -1.26 -4.73 116.55 116.54 2ddr n ASP 295 Ca -0.05 0.34 -0.28 0.00 -0.01 0.00 0.00 54.79 54.78 2ddr n ASP 295 Cb 0.60 -0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 40.27 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 -3.01 3.01 0.10 2.11 3.76 -1.26 -4.31 115.29 115.69 2ddr s HIS 296 Ca 0.13 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 54.98 2ddr s HIS 296 Cb 0.18 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 2ddr s HIS 296 CO 0.57 0.50 0.29 0.71 -0.85 0.00 0.00 174.74 175.96 2ddr s TYR 297 N -1.52 3.50 0.48 1.40 4.12 0.12 -4.86 117.35 120.60 2ddr s TYR 297 Ca 0.28 0.36 -0.18 0.00 0.02 0.00 0.00 57.07 57.55 2ddr s TYR 297 Cb -0.11 -1.85 -0.09 0.00 -1.52 0.00 0.00 41.96 38.39 2ddr s TYR 297 CO 0.20 0.51 0.96 -1.25 0.02 0.00 0.00 175.55 176.00 2ddr s PRO 298 N -2.66 4.03 -0.16 -1.71 0.04 -1.26 -4.76 135.00 128.52 2ddr s PRO 298 Ca 0.37 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 2ddr s PRO 298 Cb -0.12 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2ddr s PRO 298 CO 0.27 -0.18 -0.14 0.08 0.04 0.00 0.00 177.00 177.07 2ddr s VAL 299 N -2.47 2.78 -0.26 -0.36 1.01 -0.56 -1.78 120.40 118.76 2ddr s VAL 299 Ca 0.60 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2ddr s VAL 299 Cb -0.10 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2ddr s VAL 299 CO 0.25 0.50 0.09 -0.70 0.00 0.00 0.00 175.10 175.25 2ddr s GLU 300 N 0.89 3.62 -0.12 2.72 2.12 0.57 -1.56 118.70 126.95 2ddr s GLU 300 Ca -0.03 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 2ddr s GLU 300 Cb -0.15 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2ddr s GLU 300 CO -0.01 -0.23 0.04 0.00 -0.54 0.00 0.00 175.26 174.52 2ddr s ALA 301 N 1.62 3.42 -0.18 6.30 0.00 0.13 -0.48 121.76 132.57 2ddr s ALA 301 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2ddr s ALA 301 Cb -0.15 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.30 2ddr s ALA 301 CO 0.05 0.49 -0.20 0.99 0.00 0.00 0.00 175.76 177.08 2ddr s THR 302 N -0.59 2.06 -0.17 0.00 2.01 -0.73 -1.76 115.64 116.47 2ddr s THR 302 Ca 0.10 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2ddr s THR 302 Cb -0.12 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.55 2ddr s THR 302 CO 0.02 0.54 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 2ddr s ILE 303 N 1.24 2.14 -0.05 1.82 1.09 -0.01 -1.17 121.20 126.28 2ddr s ILE 303 Ca 0.04 -0.92 -0.29 0.00 -1.10 0.00 0.00 60.65 58.38 2ddr s ILE 303 Cb -0.13 -1.89 -0.02 0.00 -1.06 0.00 0.00 42.46 39.35 2ddr s ILE 303 CO -0.12 0.54 0.95 -0.55 -0.10 0.00 0.00 174.94 175.66 2ddr s SER 304 N 1.19 7.27 0.00 3.58 0.15 -0.08 -0.71 113.70 125.10 2ddr s SER 304 Ca 0.02 1.55 0.06 0.00 0.70 0.00 0.00 55.95 58.28 2ddr s SER 304 Cb -0.14 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2ddr s SER 304 CO -0.10 -0.30 0.69 0.23 1.20 0.00 0.00 173.24 174.96