#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 5.17 -4.10 1.20 10.43 -1.26 -4.89 116.55 123.11 2ddr n ASP 8 Ca 0.00 -2.89 -0.28 0.00 2.57 0.00 0.00 54.79 54.19 2ddr n ASP 8 Cb 0.00 -0.68 -0.17 0.00 1.84 0.00 0.00 41.12 42.11 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 -2.63 1.53 -0.15 -3.53 2.01 -1.26 -0.39 115.64 111.23 2ddr s THR 9 Ca 0.50 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 2ddr s THR 9 Cb 0.38 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2ddr s THR 9 CO 0.14 0.44 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.22 2ddr s LEU 10 N 0.63 3.02 -0.28 4.42 2.96 -0.10 -4.97 118.68 124.37 2ddr s LEU 10 Ca -0.14 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2ddr s LEU 10 Cb -0.16 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.84 2ddr s LEU 10 CO 0.04 0.15 0.00 -0.54 -1.32 0.00 0.00 176.35 174.68 2ddr s LYS 11 N 0.47 2.85 -0.04 1.98 -0.14 -1.26 -0.93 119.74 122.66 2ddr s LYS 11 Ca -0.06 -0.99 0.05 0.00 -1.36 0.00 0.00 55.97 53.61 2ddr s LYS 11 Cb -0.15 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 2ddr s LYS 11 CO 0.03 -0.46 -0.20 0.08 -0.76 0.00 0.00 175.35 174.05 2ddr s VAL 12 N 1.38 1.63 0.07 3.17 1.01 -0.81 -0.17 120.40 126.68 2ddr s VAL 12 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.22 2ddr s VAL 12 Cb -0.17 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2ddr s VAL 12 CO -0.01 0.46 -0.21 -0.32 0.00 0.00 0.00 175.10 175.02 2ddr s MET 13 N -0.09 1.28 -0.01 2.72 1.75 -0.31 0.31 119.30 124.96 2ddr s MET 13 Ca -0.02 -1.05 0.04 0.00 -1.25 0.00 0.00 55.69 53.40 2ddr s MET 13 Cb -0.12 -1.48 -0.01 0.00 2.84 0.00 0.00 34.83 36.07 2ddr s MET 13 CO 0.02 0.36 -0.12 -0.08 -0.65 0.00 0.00 175.02 174.55 2ddr s THR 14 N -0.97 0.97 -0.18 10.11 -1.32 -0.63 0.09 115.64 123.72 2ddr s THR 14 Ca 0.07 -0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 59.96 2ddr s THR 14 Cb -0.09 -0.81 0.08 0.00 -1.51 0.00 0.00 72.50 70.17 2ddr s THR 14 CO 0.03 0.27 0.38 -2.28 -2.21 0.00 0.00 174.62 170.81 2ddr s HIS 15 N -0.29 -0.67 -0.50 9.09 2.46 0.04 -1.65 115.29 123.76 2ddr s HIS 15 Ca 0.05 1.34 -0.26 0.00 0.47 0.00 0.00 55.06 56.66 2ddr s HIS 15 Cb -0.05 0.22 0.03 0.00 -0.13 0.00 0.00 32.58 32.65 2ddr s HIS 15 CO -0.00 -0.42 0.98 1.21 -2.47 0.00 0.00 174.74 174.03 2ddr s ASN 16 N 2.30 6.45 0.00 9.88 3.84 -1.26 -1.32 114.94 134.83 2ddr s ASN 16 Ca -0.03 -0.01 0.19 0.00 0.21 0.00 0.00 52.86 53.22 2ddr s ASN 16 Cb -0.11 -2.46 0.62 0.00 -0.55 0.00 0.00 41.25 38.74 2ddr s ASN 16 CO -0.12 -1.17 1.47 1.33 -2.79 0.00 0.00 177.10 175.82 2ddr n VAL 17 N 6.41 0.31 -3.80 -5.21 0.24 -0.48 -4.28 118.33 111.52 2ddr n VAL 17 Ca 0.05 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.34 61.59 2ddr n VAL 17 Cb 0.48 0.40 0.03 0.00 -1.47 0.00 0.00 33.84 33.28 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 0.50 -1.82 -3.37 6.34 9.36 -1.26 -4.66 117.16 122.26 2ddr n TYR 18 Ca 0.16 0.42 -0.33 0.00 3.32 0.00 0.00 57.90 61.46 2ddr n TYR 18 Cb 0.35 -3.15 -0.05 0.00 -0.63 0.00 0.00 39.34 35.86 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 -4.10 3.07 -0.94 2.98 2.81 0.13 -4.95 117.12 116.12 2ddr n MET 19 Ca -0.13 -4.60 -0.31 0.00 -1.81 0.00 0.00 57.70 50.85 2ddr n MET 19 Cb 0.59 -2.36 0.14 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.34 2.96 0.23 4.03 1.43 -1.26 -1.31 118.68 122.42 2ddr s LEU 20 Ca 0.35 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 55.24 2ddr s LEU 20 Cb 0.07 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.63 2ddr s LEU 20 CO -0.01 -2.70 1.57 -0.55 0.23 0.00 0.00 176.35 174.89 2ddr s SER 21 N -2.81 6.50 0.00 2.29 0.15 -1.26 -4.11 113.70 114.46 2ddr s SER 21 Ca 0.66 2.77 0.18 0.00 0.70 0.00 0.00 55.95 60.27 2ddr s SER 21 Cb -0.22 -2.62 0.78 0.00 -1.71 0.00 0.00 66.02 62.26 2ddr s SER 21 CO 0.56 -0.84 1.59 0.35 1.20 0.00 0.00 173.24 176.09 2ddr n THR 22 N 2.99 0.74 0.20 6.45 -2.24 -1.26 -0.83 114.28 120.32 2ddr n THR 22 Ca 0.11 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 2ddr n THR 22 Cb 0.38 -0.87 0.28 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.85 115.58 113.93 2ddr h ASN 23 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 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 0.26 -1.79 0.18 -1.06 0.00 0.00 177.43 175.01 2ddr n LEU 24 N -3.26 0.00 -3.54 1.61 4.77 -0.85 -4.79 117.00 110.94 2ddr n LEU 24 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 2ddr n LEU 24 Cb 0.54 0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 2ddr n LEU 24 CO 0.35 0.28 -0.21 -1.22 -1.33 0.00 0.00 177.39 175.26 2ddr n TYR 25 N -2.42 0.64 0.05 -1.77 4.01 -0.01 -4.99 117.16 112.67 2ddr n TYR 25 Ca -0.18 -3.68 0.12 0.00 -0.16 0.00 0.00 57.90 53.99 2ddr n TYR 25 Cb 0.86 -0.10 0.58 0.00 -0.31 0.00 0.00 39.34 40.37 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 5.35 0.20 -1.77 -0.72 0.11 -1.73 -3.31 132.00 130.12 2ddr h PRO 26 Ca 0.21 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.68 2ddr h PRO 26 Cb 0.85 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 31.53 2ddr h PRO 26 CO 0.51 0.13 -0.30 0.09 -0.21 0.00 0.00 178.00 178.22 2ddr n ASN 27 N -4.47 5.33 -0.91 -2.05 4.13 -1.26 -4.64 115.26 111.38 2ddr n ASN 27 Ca 0.05 -3.74 0.08 0.00 1.68 0.00 0.00 54.58 52.65 2ddr n ASN 27 Cb 0.30 -0.62 0.24 0.00 -1.54 0.00 0.00 39.78 38.15 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 -0.43 0.87 -2.28 3.10 5.03 -1.25 -4.76 117.44 117.72 2ddr n TRP 28 Ca 0.41 -0.71 -0.20 0.00 3.03 0.00 0.00 57.50 60.03 2ddr n TRP 28 Cb 0.52 -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 0.08 -0.14 0.17 6.99 0.00 -1.26 -4.91 105.19 106.11 2ddr n GLY 29 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 0.18 -0.08 1.61 7.50 -1.92 0.25 115.11 122.66 2ddr h GLN 30 Ca -0.47 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 58.67 2ddr h GLN 30 Cb 1.35 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 28.83 2ddr h GLN 30 CO 0.57 0.12 0.03 1.15 -1.50 0.00 0.00 178.83 179.20 2ddr h THR 31 N 0.19 1.13 -0.74 -0.54 2.02 -1.92 -1.18 112.91 111.86 2ddr h THR 31 Ca 0.20 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2ddr h THR 31 Cb 0.25 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2ddr h THR 31 CO -0.27 0.11 0.32 -0.08 0.37 0.00 0.00 175.52 175.96 2ddr h GLU 32 N -0.02 1.09 0.00 6.66 4.81 -1.91 -1.98 114.58 123.23 2ddr h GLU 32 Ca 0.03 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2ddr h GLU 32 Cb 0.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2ddr h GLU 32 CO -0.00 0.88 -0.21 0.00 -0.73 0.00 0.00 179.01 178.95 2ddr h ARG 33 N 1.05 0.00 -0.69 1.92 3.08 -0.83 -0.32 114.38 118.60 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 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2ddr h ARG 33 CO -0.02 0.21 0.23 0.00 -1.07 0.00 0.00 179.97 179.31 2ddr h ALA 34 N 1.79 1.10 -0.12 0.04 0.00 -0.44 0.15 119.26 121.78 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 0.51 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ddr h ALA 34 CO 0.03 0.62 -0.69 -0.44 0.00 0.00 0.00 179.25 178.77 2ddr h ASP 35 N 1.01 0.81 -0.33 0.00 3.45 -1.13 -1.71 116.42 118.53 2ddr h ASP 35 Ca 0.23 -0.64 -0.03 0.00 0.43 0.00 0.00 57.03 57.01 2ddr h ASP 35 Cb 0.27 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2ddr h ASP 35 CO -0.01 1.33 0.09 -0.07 -1.57 0.00 0.00 179.24 179.01 2ddr h LEU 36 N 0.35 0.49 -0.46 1.55 3.38 -0.83 -2.16 115.31 117.63 2ddr h LEU 36 Ca -0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2ddr h LEU 36 Cb 1.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2ddr h LEU 36 CO 0.14 0.59 0.01 0.40 0.09 0.00 0.00 178.44 179.67 2ddr h ILE 37 N 0.38 1.26 -0.66 1.22 2.04 -0.79 -0.97 117.51 119.99 2ddr h ILE 37 Ca 0.11 -1.04 0.09 0.00 1.00 0.00 0.00 64.86 65.02 2ddr h ILE 37 Cb 0.28 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2ddr h ILE 37 CO -0.00 0.36 0.44 1.23 0.00 0.00 0.00 178.15 180.18 2ddr h GLY 38 N 0.66 0.74 -0.70 5.37 0.00 -1.13 -1.90 103.07 106.11 2ddr h GLY 38 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2ddr h GLY 38 CO 0.02 0.14 -0.44 0.00 0.00 0.00 0.00 176.54 176.26 2ddr n ALA 39 N -2.49 3.47 -1.76 3.60 0.00 -0.83 -4.72 120.51 117.78 2ddr n ALA 39 Ca 0.11 -0.59 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2ddr n ALA 39 Cb 0.34 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.49 3.06 0.18 0.00 0.00 -0.39 -4.95 121.76 117.18 2ddr s ALA 40 Ca 0.20 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 2ddr s ALA 40 Cb 0.18 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2ddr s ALA 40 CO 0.57 -1.25 1.43 -0.44 0.00 0.00 0.00 175.76 176.07 2ddr h ASP 41 N 1.98 0.42 -0.00 0.00 3.45 -1.90 -3.30 116.42 117.06 2ddr h ASP 41 Ca -0.51 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 56.67 2ddr h ASP 41 Cb 1.28 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2ddr h ASP 41 CO 0.60 1.03 -0.00 0.10 -1.57 0.00 0.00 179.24 179.39 2ddr h TYR 42 N 0.23 0.02 -0.01 4.55 -0.00 -1.95 -2.32 116.97 117.49 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 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 38.06 2ddr h TYR 42 CO 0.04 0.02 -0.01 1.51 -0.00 0.00 0.00 178.16 179.72 2ddr n ILE 43 N -4.52 0.00 -2.34 -0.90 3.06 -1.24 -4.92 119.36 108.49 2ddr n ILE 43 Ca -0.03 -0.22 -0.26 0.00 -2.50 0.00 0.00 62.75 59.73 2ddr n ILE 43 Cb 0.10 0.42 0.04 0.00 0.54 0.00 0.00 39.64 40.73 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 -2.03 2.77 -1.62 9.51 1.02 -0.87 -4.44 119.74 124.08 2ddr s LYS 44 Ca 0.38 -0.05 -0.00 0.00 0.02 0.00 0.00 55.97 56.32 2ddr s LYS 44 Cb 0.21 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2ddr s LYS 44 CO 0.35 -0.81 0.04 0.09 -0.92 0.00 0.00 175.35 174.10 2ddr n ASN 45 N -2.66 -5.52 -4.88 2.83 3.02 -1.26 -5.02 115.26 101.78 2ddr n ASN 45 Ca 0.05 -0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.36 2ddr n ASN 45 Cb 0.58 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.18 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 -5.00 2.70 -0.19 3.52 -1.52 -1.26 -4.96 119.66 112.95 2ddr s GLN 46 Ca 0.02 -1.34 -0.01 0.00 -1.95 0.00 0.00 55.36 52.08 2ddr s GLN 46 Cb -0.01 -2.49 -0.22 0.00 -0.22 0.00 0.00 33.01 30.08 2ddr s GLN 46 CO 0.03 -0.01 0.08 -0.25 -0.25 0.00 0.00 175.29 174.89 2ddr n ASP 47 N -1.47 1.92 -3.85 5.90 10.43 0.77 -4.71 116.55 125.55 2ddr n ASP 47 Ca 0.00 0.04 -0.12 0.00 2.57 0.00 0.00 54.79 57.29 2ddr n ASP 47 Cb 0.60 -0.54 -0.13 0.00 1.84 0.00 0.00 41.12 42.89 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 0.00 -0.08 2.53 1.01 -0.88 -2.23 120.40 118.20 2ddr s VAL 48 Ca -0.27 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2ddr s VAL 48 Cb 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.36 2ddr s VAL 48 CO 0.69 -0.00 -0.12 -0.69 0.00 0.00 0.00 175.10 174.98 2ddr s VAL 49 N 0.04 1.23 -0.20 2.92 1.01 0.05 -1.16 120.40 124.28 2ddr s VAL 49 Ca -0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2ddr s VAL 49 Cb -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2ddr s VAL 49 CO 0.00 0.38 0.08 -0.63 0.00 0.00 0.00 175.10 174.94 2ddr s ILE 50 N 0.91 4.84 -0.06 2.22 1.01 0.11 -1.16 121.20 129.07 2ddr s ILE 50 Ca -0.10 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2ddr s ILE 50 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2ddr s ILE 50 CO 0.01 0.42 -0.12 -0.76 0.00 0.00 0.00 174.94 174.48 2ddr s LEU 51 N 0.69 2.86 0.19 2.97 1.43 0.27 -0.78 118.68 126.31 2ddr s LEU 51 Ca 0.04 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 2ddr s LEU 51 Cb -0.13 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2ddr s LEU 51 CO 0.02 0.35 -0.21 0.20 0.23 0.00 0.00 176.35 176.93 2ddr s ASN 52 N -0.73 3.12 -1.47 2.29 0.02 -0.44 -2.18 114.94 115.55 2ddr s ASN 52 Ca 0.11 -0.89 -0.08 0.00 -1.02 0.00 0.00 52.86 50.98 2ddr s ASN 52 Cb -0.11 -0.22 0.03 0.00 0.02 0.00 0.00 41.25 40.97 2ddr s ASN 52 CO 0.01 0.04 0.78 -0.62 0.02 0.00 0.00 177.10 177.33 2ddr n GLU 53 N 0.13 -5.50 -2.27 -0.60 1.02 -0.18 -1.39 120.64 111.85 2ddr n GLU 53 Ca -0.12 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 2ddr n GLU 53 Cb 0.57 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -4.57 5.28 -0.01 2.62 0.24 -0.55 -0.69 118.33 120.64 2ddr n VAL 54 Ca -0.05 -4.82 -0.16 0.00 -2.04 0.00 0.00 64.34 57.27 2ddr n VAL 54 Cb 0.58 -2.02 -0.11 0.00 -1.47 0.00 0.00 33.84 30.82 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 4.79 0.42 -2.47 6.34 0.05 -1.69 -3.41 116.94 120.96 2ddr h PHE 55 Ca 0.57 -0.23 -0.53 0.00 3.82 0.00 0.00 57.97 61.60 2ddr h PHE 55 Cb 0.39 -0.05 0.03 0.00 2.00 0.00 0.00 35.95 38.32 2ddr h PHE 55 CO 1.44 1.04 1.16 0.34 -0.18 0.00 0.00 178.31 182.12 2ddr s ASP 56 N -6.53 6.45 0.08 2.17 2.15 -0.43 -4.75 116.67 115.82 2ddr s ASP 56 Ca -0.15 2.70 -0.24 0.00 0.43 0.00 0.00 52.55 55.29 2ddr s ASP 56 Cb 0.02 -2.55 -0.16 0.00 -0.30 0.00 0.00 42.92 39.93 2ddr s ASP 56 CO 0.78 -1.02 1.71 0.78 -0.17 0.00 0.00 175.17 177.25 2ddr h ASN 57 N 9.52 -0.10 0.01 -0.34 4.21 -1.92 -0.03 115.58 126.94 2ddr h ASN 57 Ca -0.47 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.03 2ddr h ASN 57 Cb 1.22 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2ddr h ASN 57 CO 0.94 -0.06 -0.00 0.28 -1.29 0.00 0.00 177.43 177.30 2ddr h SER 58 N -0.13 -0.01 -0.37 5.81 0.02 -1.99 -2.11 113.55 114.78 2ddr h SER 58 Ca -0.01 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 2ddr h SER 58 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2ddr h SER 58 CO 0.02 0.24 -0.09 0.00 -1.14 0.00 0.00 176.83 175.86 2ddr h ALA 59 N 0.72 1.00 -0.54 3.77 0.00 -1.90 -1.16 119.26 121.15 2ddr h ALA 59 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2ddr h ALA 59 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ddr h ALA 59 CO 0.00 0.60 -0.05 0.66 0.00 0.00 0.00 179.25 180.47 2ddr h SER 60 N 0.73 0.98 -0.18 0.00 4.64 -0.99 0.40 113.55 119.13 2ddr h SER 60 Ca 0.13 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2ddr h SER 60 Cb 0.56 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2ddr h SER 60 CO 0.03 1.07 -0.17 0.44 -0.87 0.00 0.00 176.83 177.34 2ddr h ASP 61 N 0.86 0.58 -0.41 4.97 3.45 -1.20 -0.17 116.42 124.51 2ddr h ASP 61 Ca 0.15 -0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.38 2ddr h ASP 61 Cb 0.60 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 2ddr h ASP 61 CO 0.04 0.76 0.04 -0.09 -1.57 0.00 0.00 179.24 178.42 2ddr h ARG 62 N 0.53 0.69 -0.20 3.56 2.43 -0.84 -0.28 114.38 120.27 2ddr h ARG 62 Ca 0.09 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2ddr h ARG 62 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2ddr h ARG 62 CO 0.04 0.75 0.06 1.25 -1.51 0.00 0.00 179.97 180.56 2ddr h LEU 63 N 0.53 0.30 -1.07 3.80 5.85 -0.56 -0.48 115.31 123.68 2ddr h LEU 63 Ca 0.12 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2ddr h LEU 63 Cb 0.41 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2ddr h LEU 63 CO 0.01 0.43 0.63 -0.07 -0.34 0.00 0.00 178.44 179.10 2ddr h LEU 64 N 0.15 1.08 -0.92 2.25 3.38 -0.95 -1.09 115.31 119.20 2ddr h LEU 64 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2ddr h LEU 64 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2ddr h LEU 64 CO -0.00 0.77 0.02 1.23 0.09 0.00 0.00 178.44 180.55 2ddr h GLY 65 N 1.27 0.88 2.00 0.83 0.00 -0.71 -1.66 103.07 105.67 2ddr h GLY 65 Ca 0.35 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 2ddr h GLY 65 CO -0.08 0.53 -0.31 3.43 0.00 0.00 0.00 176.54 180.10 2ddr h ASN 66 N 0.76 0.00 0.25 0.19 2.35 -0.07 -2.77 115.58 116.29 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 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2ddr h ASN 66 CO 0.02 0.31 -0.34 0.18 -1.65 0.00 0.00 177.43 175.95 2ddr n LEU 67 N -3.66 1.03 -0.27 1.61 4.77 -0.51 -4.41 117.00 115.57 2ddr n LEU 67 Ca -0.01 -0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2ddr n LEU 67 Cb 0.43 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2ddr n LEU 67 CO 0.36 0.20 1.13 0.11 -1.33 0.00 0.00 177.39 177.86 2ddr h LYS 68 N 1.09 0.78 -0.08 3.23 1.79 -1.01 0.24 116.57 122.61 2ddr h LYS 68 Ca 0.00 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2ddr h LYS 68 Cb 0.53 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 2ddr h LYS 68 CO 0.00 0.52 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.49 2ddr h LYS 69 N 0.80 -0.23 0.05 3.15 1.63 -1.78 -0.57 116.57 119.62 2ddr h LYS 69 Ca 0.34 0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.89 2ddr h LYS 69 Cb 0.20 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2ddr h LYS 69 CO -0.18 -0.15 -1.35 1.49 -3.45 0.00 0.00 179.45 175.80 2ddr h GLU 70 N -0.24 0.11 -2.25 1.90 4.81 -1.85 -3.39 114.58 113.67 2ddr h GLU 70 Ca 0.08 -0.19 -0.59 0.00 -0.13 0.00 0.00 59.36 58.53 2ddr h GLU 70 Cb 0.35 0.07 -0.41 0.00 0.63 0.00 0.00 28.75 29.39 2ddr h GLU 70 CO -0.22 0.95 -0.73 0.66 -0.73 0.00 0.00 179.01 178.94 2ddr n TYR 71 N -3.34 2.49 0.30 0.92 4.01 0.82 -4.35 117.16 118.01 2ddr n TYR 71 Ca -0.10 -4.00 0.19 0.00 -0.16 0.00 0.00 57.90 53.83 2ddr n TYR 71 Cb 1.01 -0.48 0.84 0.00 -0.31 0.00 0.00 39.34 40.39 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 4.32 0.00 -5.43 -0.72 0.13 -1.11 -3.38 132.00 125.81 2ddr h PRO 72 Ca 0.17 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.65 2ddr h PRO 72 Cb 0.73 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.72 2ddr h PRO 72 CO 0.72 0.00 0.12 -0.80 -0.23 0.00 0.00 178.00 177.81 2ddr s ASN 73 N -5.55 6.37 0.02 1.44 0.01 -0.90 -4.98 114.94 111.35 2ddr s ASN 73 Ca -0.01 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.04 2ddr s ASN 73 Cb 0.10 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 2ddr s ASN 73 CO 0.51 -0.68 -0.04 -1.10 -1.51 0.00 0.00 177.10 174.27 2ddr s GLN 74 N 2.74 0.35 0.52 -0.60 -0.21 -1.26 0.01 119.66 121.21 2ddr s GLN 74 Ca 0.23 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 55.10 2ddr s GLN 74 Cb -0.14 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.77 2ddr s GLN 74 CO 0.17 0.01 0.75 0.95 -2.12 0.00 0.00 175.29 175.05 2ddr s THR 75 N -1.03 3.37 1.00 -0.19 -4.23 -0.46 -5.02 115.64 109.07 2ddr s THR 75 Ca -0.09 -0.50 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 2ddr s THR 75 Cb -0.07 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.71 2ddr s THR 75 CO -0.00 -0.20 1.28 0.00 -0.54 0.00 0.00 174.62 175.15 2ddr s ALA 76 N -2.72 1.95 -0.12 3.99 0.00 -1.26 -4.67 121.76 118.93 2ddr s ALA 76 Ca 0.53 -1.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 2ddr s ALA 76 Cb -0.10 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2ddr s ALA 76 CO 0.39 -2.62 0.61 0.08 0.00 0.00 0.00 175.76 174.23 2ddr s VAL 77 N -3.72 5.08 -0.01 0.00 1.01 -1.26 -4.63 120.40 116.88 2ddr s VAL 77 Ca 0.73 1.22 -0.39 0.00 0.00 0.00 0.00 61.98 63.53 2ddr s VAL 77 Cb -0.05 -3.94 -0.19 0.00 0.00 0.00 0.00 36.38 32.20 2ddr s VAL 77 CO 0.53 0.23 1.19 -0.11 0.00 0.00 0.00 175.10 176.95 2ddr n LEU 78 N 4.11 0.57 -0.07 3.92 7.94 0.37 -2.01 117.00 131.84 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 -1.58 -0.01 0.61 -1.11 0.00 0.00 177.39 175.75 2ddr n GLY 79 N 1.97 0.34 0.08 -3.96 0.00 -1.26 -0.52 105.19 101.84 2ddr n GLY 79 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.24 0.63 -3.85 1.61 0.63 -0.85 -4.54 116.66 109.05 2ddr n ARG 80 Ca -0.01 0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.87 2ddr n ARG 80 Cb 0.25 -1.70 -0.01 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 -5.19 -0.16 -0.20 6.15 1.04 -1.26 -5.08 113.70 109.00 2ddr s SER 81 Ca -0.04 -0.80 0.19 0.00 0.48 0.00 0.00 55.95 55.78 2ddr s SER 81 Cb 0.10 0.76 0.42 0.00 0.10 0.00 0.00 66.02 67.41 2ddr s SER 81 CO 0.84 -1.45 1.21 -1.54 0.98 0.00 0.00 173.24 173.27 2ddr n SER 82 N -0.77 0.56 -0.97 7.02 3.41 -1.26 -5.03 113.62 116.58 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 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.51 1.10 0.00 5.00 0.00 -1.26 -4.93 105.19 104.59 2ddr n GLY 83 Ca -0.02 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.97 113.62 115.43 2ddr n SER 84 Ca 0.00 0.08 0.09 0.00 -0.26 0.00 0.00 58.87 58.78 2ddr n SER 84 Cb 0.00 -0.22 0.38 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.22 0.03 -5.28 4.33 0.00 -1.26 -4.54 120.64 112.70 2ddr n GLU 85 Ca 0.04 0.23 -0.31 0.00 0.00 0.00 0.00 57.16 57.12 2ddr n GLU 85 Cb 0.05 -1.55 -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 2.36 0.22 -1.84 0.52 -0.83 -4.72 118.94 111.61 2ddr s TRP 86 Ca 0.08 -0.56 0.08 0.00 0.02 0.00 0.00 56.10 55.72 2ddr s TRP 86 Cb 0.11 -1.53 0.18 0.00 -1.15 0.00 0.00 33.47 31.08 2ddr s TRP 86 CO 0.33 -0.12 1.51 -0.44 0.02 0.00 0.00 176.95 178.25 2ddr h ASP 87 N 5.74 0.05 -4.14 2.95 3.32 -0.78 -3.45 116.42 120.11 2ddr h ASP 87 Ca -0.38 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 2ddr h ASP 87 Cb 1.14 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.45 2ddr h ASP 87 CO 0.47 0.76 -0.23 -0.54 -1.72 0.00 0.00 179.24 177.98 2ddr s LYS 88 N -3.38 0.54 -0.29 3.56 1.02 -1.23 -5.05 119.74 114.91 2ddr s LYS 88 Ca -0.01 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.42 2ddr s LYS 88 Cb 0.12 0.26 0.08 0.00 -0.52 0.00 0.00 37.83 37.76 2ddr s LYS 88 CO 0.79 -0.09 -0.05 0.99 -0.92 0.00 0.00 175.35 176.07 2ddr s THR 89 N -0.14 2.20 0.34 2.17 2.01 -1.26 -1.85 115.64 119.11 2ddr s THR 89 Ca -0.03 -1.90 0.08 0.00 0.31 0.00 0.00 61.69 60.14 2ddr s THR 89 Cb -0.03 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2ddr s THR 89 CO 0.02 -0.25 0.25 -0.76 -0.69 0.00 0.00 174.62 173.18 2ddr s LEU 90 N 1.03 3.49 0.00 4.42 1.43 0.36 -5.00 118.68 124.42 2ddr s LEU 90 Ca -0.01 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2ddr s LEU 90 Cb -0.20 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2ddr s LEU 90 CO -0.06 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2ddr n GLY 91 N -1.30 -1.68 1.79 -3.19 0.00 -1.26 -1.57 105.19 97.98 2ddr n GLY 91 Ca -0.02 -1.38 -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 0.26 5.38 -4.76 1.61 4.05 -0.61 -4.78 115.26 116.42 2ddr n ASN 92 Ca 0.00 -2.50 -0.41 0.00 0.45 0.00 0.00 54.58 52.12 2ddr n ASN 92 Cb 0.00 -1.27 -0.02 0.00 1.23 0.00 0.00 39.78 39.72 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 0.34 2.92 -0.03 1.20 5.04 -1.26 -4.92 117.35 120.64 2ddr s TYR 93 Ca 0.36 1.10 0.01 0.00 -2.44 0.00 0.00 57.07 56.10 2ddr s TYR 93 Cb 0.18 -3.86 0.02 0.00 0.35 0.00 0.00 41.96 38.65 2ddr s TYR 93 CO -0.01 -2.67 -0.05 0.45 -1.34 0.00 0.00 175.55 171.94 2ddr s SER 94 N 0.11 0.83 0.00 4.32 0.15 -1.26 -5.02 113.70 112.83 2ddr s SER 94 Ca 0.56 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 57.38 2ddr s SER 94 Cb -0.43 -0.34 1.13 0.00 -1.71 0.00 0.00 66.02 64.67 2ddr s SER 94 CO 0.49 -0.02 1.82 -1.54 1.20 0.00 0.00 173.24 175.19 2ddr n SER 95 N 3.77 0.33 -1.59 5.45 3.41 -1.26 -3.77 113.62 119.96 2ddr n SER 95 Ca -0.23 -0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.23 2ddr n SER 95 Cb 0.52 -0.13 0.36 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.20 4.95 -4.82 4.04 3.41 -1.26 -4.99 113.62 113.75 2ddr n SER 96 Ca 0.11 -2.65 -0.32 0.00 -0.26 0.00 0.00 58.87 55.75 2ddr n SER 96 Cb 0.30 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.22 4.14 -0.72 6.66 -4.23 -1.25 -4.95 115.64 113.07 2ddr s THR 97 Ca 0.51 0.92 0.26 0.00 -1.18 0.00 0.00 61.69 62.20 2ddr s THR 97 Cb 0.35 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.95 2ddr s THR 97 CO 0.20 -0.69 1.78 -2.65 -0.54 0.00 0.00 174.62 172.71 2ddr n PRO 98 N -2.20 0.25 -3.82 3.99 -0.02 -1.25 -4.88 135.00 127.07 2ddr n PRO 98 Ca 0.08 0.22 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2ddr n PRO 98 Cb 0.53 -1.80 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 2ddr n PRO 98 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2ddr s GLU 99 N -3.11 0.85 0.71 -0.52 2.56 -1.21 -5.07 118.70 112.91 2ddr s GLU 99 Ca 0.10 -0.87 0.01 0.00 0.00 0.00 0.00 54.97 54.22 2ddr s GLU 99 Cb 0.12 0.35 0.14 0.00 2.00 0.00 0.00 34.13 36.74 2ddr s GLU 99 CO 0.58 -0.28 0.97 -0.40 -0.56 0.00 0.00 175.26 175.58 2ddr n ASP 100 N 0.03 1.48 0.12 -1.70 5.68 -1.26 -3.96 116.55 116.95 2ddr n ASP 100 Ca -0.16 -2.21 0.13 0.00 -0.50 0.00 0.00 54.79 52.05 2ddr n ASP 100 Cb 0.62 -0.62 0.44 0.00 -1.14 0.00 0.00 41.12 40.43 2ddr n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ddr n GLY 101 N -2.62 -1.53 2.43 6.12 0.00 0.32 -4.62 105.19 105.29 2ddr n GLY 101 Ca 0.17 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.74 1.20 3.46 -0.02 0.00 -1.24 -4.68 105.19 104.64 2ddr n GLY 102 Ca 0.04 -0.34 -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 -2.30 3.18 0.04 1.61 1.01 -1.26 -1.01 120.40 121.66 2ddr s VAL 103 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2ddr s VAL 103 Cb 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2ddr s VAL 103 CO 0.00 0.57 0.30 0.00 0.00 0.00 0.00 175.10 175.96 2ddr s ALA 104 N -0.34 -0.67 -0.03 5.51 0.00 -0.93 -0.48 121.76 124.82 2ddr s ALA 104 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2ddr s ALA 104 Cb -0.13 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2ddr s ALA 104 CO 0.02 -0.40 -0.15 0.42 0.00 0.00 0.00 175.76 175.66 2ddr s ILE 105 N -2.47 1.22 0.14 0.00 1.01 -1.26 -0.56 121.20 119.28 2ddr s ILE 105 Ca -0.06 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.06 2ddr s ILE 105 Cb -0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2ddr s ILE 105 CO -0.03 0.36 -0.16 0.68 0.00 0.00 0.00 174.94 175.78 2ddr s VAL 106 N 0.04 1.60 0.09 2.92 -7.23 -0.31 -1.36 120.40 116.14 2ddr s VAL 106 Ca -0.02 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 2ddr s VAL 106 Cb -0.10 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2ddr s VAL 106 CO 0.01 -0.36 0.45 -0.55 -0.31 0.00 0.00 175.10 174.35 2ddr s SER 107 N -2.55 -0.32 0.00 4.85 0.15 0.10 -0.77 113.70 115.15 2ddr s SER 107 Ca 0.12 -0.10 0.26 0.00 0.70 0.00 0.00 55.95 56.94 2ddr s SER 107 Cb -0.05 0.48 0.72 0.00 -1.71 0.00 0.00 66.02 65.45 2ddr s SER 107 CO 0.05 -0.79 1.56 2.29 1.20 0.00 0.00 173.24 177.55 2ddr n LYS 108 N 0.08 0.04 -4.09 5.44 2.85 -0.95 -2.11 118.16 119.42 2ddr n LYS 108 Ca -0.17 -0.02 -0.28 0.00 -1.05 0.00 0.00 58.31 56.79 2ddr n LYS 108 Cb 0.62 -1.50 -0.06 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 -2.97 3.10 0.25 5.58 0.52 -1.26 -4.88 118.94 119.28 2ddr s TRP 109 Ca 0.13 0.00 -0.31 0.00 0.02 0.00 0.00 56.10 55.94 2ddr s TRP 109 Cb 0.18 -1.54 -0.13 0.00 -1.15 0.00 0.00 33.47 30.83 2ddr s TRP 109 CO 0.65 0.51 1.53 -2.30 0.02 0.00 0.00 176.95 177.36 2ddr n PRO 110 N 0.12 2.40 -3.48 4.98 -0.02 -1.26 -4.72 135.00 133.02 2ddr n PRO 110 Ca -0.09 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 2ddr n PRO 110 Cb 0.53 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.16 5.24 -0.02 4.25 1.01 -1.26 -1.64 121.20 128.95 2ddr s ILE 111 Ca 0.68 -0.05 0.11 0.00 0.00 0.00 0.00 60.65 61.39 2ddr s ILE 111 Cb -0.57 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 2ddr s ILE 111 CO 0.46 -0.01 1.35 0.00 0.00 0.00 0.00 174.94 176.75 2ddr h ALA 112 N 8.46 0.51 -2.67 9.38 0.00 -0.50 -3.46 119.26 130.97 2ddr h ALA 112 Ca -0.31 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 53.79 2ddr h ALA 112 Cb 1.16 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 2ddr h ALA 112 CO 0.65 0.95 -0.22 -2.00 0.00 0.00 0.00 179.25 178.62 2ddr s GLU 113 N -2.83 0.49 -0.11 0.00 2.12 -1.18 -4.96 118.70 112.23 2ddr s GLU 113 Ca 0.02 0.64 -0.00 0.00 0.36 0.00 0.00 54.97 55.99 2ddr s GLU 113 Cb 0.09 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.70 2ddr s GLU 113 CO 0.78 -0.08 -0.08 0.15 -0.54 0.00 0.00 175.26 175.50 2ddr s LYS 114 N 0.46 1.54 -0.01 4.30 1.02 -1.26 -1.70 119.74 124.09 2ddr s LYS 114 Ca -0.02 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.73 2ddr s LYS 114 Cb -0.04 -1.58 -0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2ddr s LYS 114 CO -0.02 -0.25 -0.09 0.42 -0.92 0.00 0.00 175.35 174.49 2ddr s ILE 115 N 1.65 0.75 0.04 2.17 1.01 -0.33 -0.14 121.20 126.35 2ddr s ILE 115 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.37 2ddr s ILE 115 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 2ddr s ILE 115 CO -0.08 0.22 -0.15 0.00 0.00 0.00 0.00 174.94 174.94 2ddr s GLN 116 N -0.04 2.17 -0.04 2.79 -2.07 -0.77 -0.14 119.66 121.56 2ddr s GLN 116 Ca 0.01 -0.94 -0.01 0.00 -1.82 0.00 0.00 55.36 52.61 2ddr s GLN 116 Cb -0.06 -2.27 0.03 0.00 -1.09 0.00 0.00 33.01 29.62 2ddr s GLN 116 CO -0.00 0.55 0.02 -0.47 -1.32 0.00 0.00 175.29 174.07 2ddr s TYR 117 N -0.98 0.27 -0.22 9.60 5.04 -0.13 -0.48 117.35 130.44 2ddr s TYR 117 Ca 0.16 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.76 2ddr s TYR 117 Cb -0.11 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.69 2ddr s TYR 117 CO 0.07 -0.17 0.11 0.08 -1.34 0.00 0.00 175.55 174.30 2ddr s VAL 118 N 1.47 5.02 0.53 3.14 1.01 -0.61 -0.49 120.40 130.48 2ddr s VAL 118 Ca -0.04 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 2ddr s VAL 118 Cb -0.13 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 2ddr s VAL 118 CO -0.03 0.38 1.12 0.49 0.00 0.00 0.00 175.10 177.07 2ddr n PHE 119 N 4.12 1.47 -0.02 5.22 0.99 0.21 -1.57 117.46 127.88 2ddr n PHE 119 Ca -0.16 0.47 -0.09 0.00 -0.00 0.00 0.00 57.45 57.67 2ddr n PHE 119 Cb 0.52 -2.25 0.07 0.00 -1.00 0.00 0.00 39.48 36.82 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 1.17 0.77 -2.56 4.37 0.00 -1.95 -3.39 119.26 117.66 2ddr h ALA 120 Ca -0.48 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 53.81 2ddr h ALA 120 Cb 1.33 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 2ddr h ALA 120 CO 0.55 0.66 -0.49 0.15 0.00 0.00 0.00 179.25 180.12 2ddr s LYS 121 N -4.21 1.11 0.00 0.00 1.02 -1.26 -4.98 119.74 111.42 2ddr s LYS 121 Ca -0.08 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.53 2ddr s LYS 121 Cb 0.12 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 2ddr s LYS 121 CO 0.84 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 2ddr n GLY 122 N -0.19 2.90 0.30 -3.33 0.00 -1.26 -4.92 105.19 98.69 2ddr n GLY 122 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 ASN 127 N -0.77 6.23 0.00 0.00 0.01 -1.26 -5.20 114.94 113.95 2ddr s ASN 127 Ca 0.06 -2.72 0.08 0.00 -0.71 0.00 0.00 52.86 49.58 2ddr s ASN 127 Cb 0.04 -2.09 0.17 0.00 0.41 0.00 0.00 41.25 39.78 2ddr s ASN 127 CO 0.04 -0.51 1.03 0.18 -1.51 0.00 0.00 177.10 176.33 2ddr n LEU 128 N 3.84 2.32 -0.04 0.60 4.77 -1.26 -4.76 117.00 122.48 2ddr n LEU 128 Ca 0.11 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2ddr n LEU 128 Cb 0.44 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2ddr n LEU 128 CO 0.34 0.55 0.08 -0.24 -1.33 0.00 0.00 177.39 176.79 2ddr n SER 129 N 0.36 0.00 -4.16 -1.43 2.88 -1.25 -3.30 113.62 106.71 2ddr n SER 129 Ca 0.07 -1.02 -0.34 0.00 -1.33 0.00 0.00 58.87 56.25 2ddr n SER 129 Cb 0.32 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.56 -4.75 -3.46 3.02 -1.26 -0.96 115.26 105.29 2ddr n ASN 130 Ca 0.00 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.18 2ddr n ASN 130 Cb 0.50 -2.81 0.04 0.00 -0.61 0.00 0.00 39.78 36.90 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 -6.86 2.95 0.00 3.52 -0.14 -1.26 -3.69 119.74 114.26 2ddr s LYS 131 Ca 0.56 1.82 0.00 0.00 -1.36 0.00 0.00 55.97 56.99 2ddr s LYS 131 Cb -0.30 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 2ddr s LYS 131 CO 0.92 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 2ddr n GLY 132 N 0.49 -0.76 3.18 -3.33 0.00 -1.26 -0.62 105.19 102.90 2ddr n GLY 132 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.62 -0.12 1.61 -0.12 0.36 -3.65 117.98 112.69 2ddr s PHE 133 Ca 0.00 -1.04 0.03 0.00 -0.05 0.00 0.00 56.93 55.87 2ddr s PHE 133 Cb 0.00 -0.33 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 2ddr s PHE 133 CO 0.00 -0.54 -0.22 0.08 -0.05 0.00 0.00 175.22 174.50 2ddr s VAL 134 N -3.99 1.96 -0.12 -2.49 1.01 0.19 -0.95 120.40 116.01 2ddr s VAL 134 Ca 0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2ddr s VAL 134 Cb 0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2ddr s VAL 134 CO -0.02 0.53 -0.01 -0.47 0.00 0.00 0.00 175.10 175.13 2ddr s TYR 135 N 0.62 3.11 -0.00 5.22 5.04 0.80 -0.80 117.35 131.33 2ddr s TYR 135 Ca -0.13 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.54 2ddr s TYR 135 Cb -0.17 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.27 2ddr s TYR 135 CO 0.03 0.27 -0.07 0.95 -1.34 0.00 0.00 175.55 175.39 2ddr s THR 136 N -0.35 0.53 -0.23 4.34 -4.23 -0.23 -1.18 115.64 114.28 2ddr s THR 136 Ca 0.07 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2ddr s THR 136 Cb -0.12 -0.45 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 2ddr s THR 136 CO 0.02 0.11 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.44 2ddr s LYS 137 N -0.26 3.40 -0.04 3.99 2.20 -0.69 -1.24 119.74 127.11 2ddr s LYS 137 Ca 0.02 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 2ddr s LYS 137 Cb -0.03 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 2ddr s LYS 137 CO -0.00 -0.21 -0.24 0.42 -0.36 0.00 0.00 175.35 174.96 2ddr s ILE 138 N 1.50 1.94 -0.53 5.43 1.01 0.60 0.33 121.20 131.47 2ddr s ILE 138 Ca 0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 2ddr s ILE 138 Cb -0.15 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.78 2ddr s ILE 138 CO -0.02 0.54 0.61 -0.75 0.00 0.00 0.00 174.94 175.32 2ddr s LYS 139 N -0.33 3.06 -0.27 2.79 2.47 -0.65 -0.18 119.74 126.63 2ddr s LYS 139 Ca 0.02 -1.17 -0.04 0.00 -1.56 0.00 0.00 55.97 53.22 2ddr s LYS 139 Cb -0.12 -4.18 0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2ddr s LYS 139 CO 0.01 -1.32 0.01 0.21 0.16 0.00 0.00 175.35 174.43 2ddr s LYS 140 N 2.43 2.95 -1.14 4.03 2.20 0.17 -4.13 119.74 126.24 2ddr s LYS 140 Ca 0.11 -0.92 -0.23 0.00 -0.36 0.00 0.00 55.97 54.57 2ddr s LYS 140 Cb -0.23 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2ddr s LYS 140 CO 0.08 -0.42 0.78 0.09 -0.36 0.00 0.00 175.35 175.52 2ddr n ASN 141 N 4.76 -5.17 -0.85 1.43 3.02 -1.26 -1.33 115.26 115.87 2ddr n ASN 141 Ca -0.15 -1.06 -0.11 0.00 -0.03 0.00 0.00 54.58 53.22 2ddr n ASN 141 Cb 0.47 -3.09 -0.05 0.00 -0.61 0.00 0.00 39.78 36.51 2ddr n ASN 141 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ddr n ASP 142 N -2.58 -5.34 -4.03 6.41 -0.08 -1.26 -4.91 116.55 104.76 2ddr n ASP 142 Ca -0.09 0.28 -0.23 0.00 -1.51 0.00 0.00 54.79 53.23 2ddr n ASP 142 Cb 0.59 -3.82 -0.16 0.00 2.34 0.00 0.00 41.12 40.06 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 -2.84 1.33 -0.22 -0.67 3.52 -0.44 -5.12 118.95 114.51 2ddr s ARG 143 Ca 0.00 -0.39 -0.18 0.00 -0.13 0.00 0.00 55.73 55.03 2ddr s ARG 143 Cb 0.00 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 2ddr s ARG 143 CO 0.00 0.11 0.50 -0.06 -0.81 0.00 0.00 175.30 175.04 2ddr s PHE 144 N 0.32 3.34 0.19 5.12 0.40 -1.26 0.42 117.98 126.51 2ddr s PHE 144 Ca -0.07 0.70 0.09 0.00 -0.60 0.00 0.00 56.93 57.06 2ddr s PHE 144 Cb -0.11 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 2ddr s PHE 144 CO 0.02 -0.14 -0.10 0.14 0.70 0.00 0.00 175.22 175.84 2ddr s VAL 145 N 1.78 3.16 -0.13 -0.44 -7.23 0.74 -4.37 120.40 113.91 2ddr s VAL 145 Ca 0.22 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2ddr s VAL 145 Cb -0.15 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2ddr s VAL 145 CO 0.09 -0.15 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.52 2ddr s HIS 146 N -1.79 2.55 -0.11 2.82 0.09 0.10 -0.29 115.29 118.66 2ddr s HIS 146 Ca 0.25 -1.24 0.01 0.00 -0.00 0.00 0.00 55.06 54.09 2ddr s HIS 146 Cb -0.08 -1.74 0.02 0.00 -0.00 0.00 0.00 32.58 30.77 2ddr s HIS 146 CO 0.15 -0.56 -0.14 0.08 -0.00 0.00 0.00 174.74 174.27 2ddr s VAL 147 N 0.76 1.44 -0.18 -0.90 1.01 -0.37 -0.46 120.40 121.71 2ddr s VAL 147 Ca -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2ddr s VAL 147 Cb -0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2ddr s VAL 147 CO -0.00 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.83 2ddr s ILE 148 N 1.08 3.40 -0.08 2.22 1.01 0.26 -1.06 121.20 128.02 2ddr s ILE 148 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2ddr s ILE 148 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2ddr s ILE 148 CO -0.03 0.47 -0.08 -0.83 0.00 0.00 0.00 174.94 174.47 2ddr s GLY 149 N 0.86 1.66 0.31 6.18 0.00 0.02 -0.40 107.32 115.96 2ddr s GLY 149 Ca -0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 2ddr s GLY 149 CO 0.01 -0.58 0.51 -1.08 0.00 0.00 0.00 173.10 171.96 2ddr s THR 150 N -0.58 0.00 -0.24 0.90 -1.32 -0.09 -0.64 115.64 113.68 2ddr s THR 150 Ca 0.09 -1.47 -0.03 0.00 -1.21 0.00 0.00 61.69 59.07 2ddr s THR 150 Cb -0.12 -2.53 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 0.00 174.62 170.53 2ddr s HIS 151 N -3.30 -0.84 0.53 9.09 2.46 -1.24 -3.00 115.29 118.99 2ddr s HIS 151 Ca 0.26 0.93 -0.03 0.00 0.47 0.00 0.00 55.06 56.70 2ddr s HIS 151 Cb -0.01 0.06 0.01 0.00 -0.13 0.00 0.00 32.58 32.51 2ddr s HIS 151 CO 0.15 -0.69 0.79 -0.51 -2.47 0.00 0.00 174.74 172.01 2ddr s LEU 152 N 2.56 3.41 0.07 8.88 1.43 -0.58 -4.50 118.68 129.96 2ddr s LEU 152 Ca 0.11 0.47 -0.37 0.00 -1.03 0.00 0.00 54.13 53.32 2ddr s LEU 152 Cb -0.15 -3.32 -0.18 0.00 0.03 0.00 0.00 46.19 42.57 2ddr s LEU 152 CO -0.15 -0.92 1.22 1.67 0.23 0.00 0.00 176.35 178.39 2ddr n GLN 153 N -2.35 0.78 -2.40 1.70 -0.06 -1.26 -4.71 117.38 109.07 2ddr n GLN 153 Ca 0.03 0.28 -0.27 0.00 -2.00 0.00 0.00 57.00 55.04 2ddr n GLN 153 Cb 0.58 -1.85 0.02 0.00 -4.06 0.00 0.00 30.24 24.94 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 0.21 3.30 0.18 1.69 0.00 -1.26 -4.77 121.76 121.12 2ddr s ALA 154 Ca 0.84 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2ddr s ALA 154 Cb -1.03 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2ddr s ALA 154 CO 0.51 -0.72 1.19 -2.00 0.00 0.00 0.00 175.76 174.74 2ddr s GLU 155 N -4.96 4.50 0.00 0.00 2.56 -1.26 -4.89 118.70 114.64 2ddr s GLU 155 Ca 0.53 1.86 0.00 0.00 0.00 0.00 0.00 54.97 57.36 2ddr s GLU 155 Cb -0.11 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.78 2ddr s GLU 155 CO 0.46 -0.07 0.00 0.45 -0.56 0.00 0.00 175.26 175.53 2ddr n SER 163 N 2.51 0.00 -0.33 -1.70 2.88 -1.26 -5.11 113.62 110.60 2ddr n SER 163 Ca 0.04 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.60 2ddr n SER 163 Cb 0.45 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.99 -0.65 -1.46 0.11 -1.97 -1.22 132.00 127.80 2ddr h PRO 164 Ca 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2ddr h PRO 164 Cb 0.00 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 2ddr h PRO 164 CO 0.00 0.66 0.28 0.00 -0.21 0.00 0.00 178.00 178.72 2ddr h ALA 165 N 1.43 1.27 -0.59 -0.75 0.00 -1.94 0.35 119.26 119.03 2ddr h ALA 165 Ca 0.40 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2ddr h ALA 165 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2ddr h ALA 165 CO -0.18 0.55 -0.03 0.77 0.00 0.00 0.00 179.25 180.35 2ddr h SER 166 N 0.93 1.05 -0.35 0.00 0.02 -1.72 -1.03 113.55 112.44 2ddr h SER 166 Ca 0.22 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2ddr h SER 166 Cb 0.15 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2ddr h SER 166 CO -0.02 1.12 -0.02 0.58 -1.14 0.00 0.00 176.83 177.35 2ddr h VAL 167 N 0.96 1.26 -0.92 2.27 2.07 -0.73 -2.26 116.25 118.90 2ddr h VAL 167 Ca 0.16 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2ddr h VAL 167 Cb 0.60 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2ddr h VAL 167 CO 0.04 0.34 0.57 0.03 0.02 0.00 0.00 177.57 178.56 2ddr h ARG 168 N 0.45 1.25 -0.54 1.57 3.08 -0.75 -0.69 114.38 118.74 2ddr h ARG 168 Ca 0.10 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2ddr h ARG 168 Cb 0.49 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2ddr h ARG 168 CO 0.02 0.87 0.13 1.15 -1.07 0.00 0.00 179.97 181.07 2ddr h THR 169 N 1.27 1.23 -0.25 2.04 2.02 -1.04 0.70 112.91 118.88 2ddr h THR 169 Ca 0.33 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.58 2ddr h THR 169 Cb -0.07 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2ddr h THR 169 CO -0.06 0.31 -0.32 -1.13 0.37 0.00 0.00 175.52 174.68 2ddr h ASN 170 N 0.80 0.55 -0.29 4.18 -0.73 -0.76 -0.28 115.58 119.05 2ddr h ASN 170 Ca 0.18 -0.21 -0.14 0.00 1.87 0.00 0.00 56.30 57.99 2ddr h ASN 170 Cb 0.30 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 2ddr h ASN 170 CO -0.00 0.84 -0.36 1.56 -0.37 0.00 0.00 177.43 179.10 2ddr h GLN 171 N 0.45 0.76 -0.33 6.67 4.20 -0.56 -2.06 115.11 124.25 2ddr h GLN 171 Ca 0.05 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 2ddr h GLN 171 Cb 0.79 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2ddr h GLN 171 CO 0.06 1.05 0.04 -0.07 -0.67 0.00 0.00 178.83 179.25 2ddr h LEU 172 N 0.51 0.45 -0.66 1.46 3.38 -0.67 -2.01 115.31 117.76 2ddr h LEU 172 Ca 0.04 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2ddr h LEU 172 Cb 0.94 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2ddr h LEU 172 CO 0.09 0.48 0.14 0.50 0.09 0.00 0.00 178.44 179.74 2ddr h LYS 173 N 0.47 1.08 -0.53 1.13 3.64 -0.75 -1.45 116.57 120.17 2ddr h LYS 173 Ca 0.11 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2ddr h LYS 173 Cb 0.24 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2ddr h LYS 173 CO 0.00 0.97 0.08 0.93 -2.27 0.00 0.00 179.45 179.16 2ddr h GLU 174 N 1.00 0.83 -0.09 1.90 5.08 -0.69 0.25 114.58 122.85 2ddr h GLU 174 Ca 0.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2ddr h GLU 174 Cb 0.39 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ddr h GLU 174 CO 0.01 0.78 0.02 0.82 -1.00 0.00 0.00 179.01 179.64 2ddr h ILE 175 N 0.79 1.20 -0.65 3.13 2.04 -1.02 -1.23 117.51 121.76 2ddr h ILE 175 Ca 0.17 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2ddr h ILE 175 Cb 0.36 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2ddr h ILE 175 CO 0.01 0.17 0.37 -0.61 0.00 0.00 0.00 178.15 178.09 2ddr h GLN 176 N -0.06 0.90 -0.98 2.37 -0.00 -1.03 -1.21 115.11 115.10 2ddr h GLN 176 Ca 0.03 -0.10 0.01 0.00 -0.00 0.00 0.00 58.65 58.60 2ddr h GLN 176 Cb 0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 27.48 27.50 2ddr h GLN 176 CO 0.00 0.66 0.65 -0.44 0.00 0.00 0.00 178.83 179.70 2ddr h ASP 177 N 0.89 1.11 -0.29 -0.69 3.45 -0.85 -0.95 116.42 119.10 2ddr h ASP 177 Ca 0.23 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.62 2ddr h ASP 177 Cb 0.02 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 2ddr h ASP 177 CO -0.04 0.80 0.01 0.15 -1.57 0.00 0.00 179.24 178.58 2ddr h PHE 178 N 1.31 0.55 -0.41 4.55 3.57 -0.65 -1.63 116.94 124.23 2ddr h PHE 178 Ca 0.36 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2ddr h PHE 178 Cb -0.13 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2ddr h PHE 178 CO -0.00 0.64 0.23 0.82 -2.23 0.00 0.00 178.31 177.77 2ddr h ILE 179 N 0.30 1.03 -0.21 1.41 2.04 -0.78 -1.25 117.51 120.05 2ddr h ILE 179 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2ddr h ILE 179 Cb 0.42 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2ddr h ILE 179 CO 0.01 0.09 0.14 0.50 0.00 0.00 0.00 178.15 178.89 2ddr h LYS 180 N 0.47 0.27 0.00 2.37 3.64 -1.11 -2.61 116.57 119.60 2ddr h LYS 180 Ca 0.17 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2ddr h LYS 180 Cb 0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2ddr h LYS 180 CO -0.09 0.18 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.17 2ddr h ASN 181 N 0.28 0.00 0.83 4.20 -0.00 -1.00 -2.97 115.58 116.92 2ddr h ASN 181 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2ddr h ASN 181 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2ddr h ASN 181 CO -0.02 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 -5.76 6.67 1.63 -0.83 -3.47 116.57 114.82 2ddr h LYS 182 Ca -0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.45 2ddr h LYS 182 Cb 0.32 0.00 0.14 0.00 -0.60 0.00 0.00 32.23 32.09 2ddr h LYS 182 CO 0.02 0.00 -0.78 -1.71 -3.45 0.00 0.00 179.45 173.53 2ddr n ASN 183 N -3.09 -2.01 -4.73 4.20 4.05 -1.12 -4.96 115.26 107.59 2ddr n ASN 183 Ca -0.00 -0.66 -0.41 0.00 0.45 0.00 0.00 54.58 53.96 2ddr n ASN 183 Cb 0.26 -4.88 -0.04 0.00 1.23 0.00 0.00 39.78 36.35 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 -3.43 4.19 0.39 -1.44 1.01 -1.26 -4.98 121.20 115.69 2ddr s ILE 184 Ca 0.03 1.83 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 2ddr s ILE 184 Cb -0.01 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 2ddr s ILE 184 CO 0.75 0.28 0.70 -2.65 0.00 0.00 0.00 174.94 174.02 2ddr n PRO 185 N 2.69 0.79 0.00 2.79 -0.02 -1.26 -4.84 135.00 135.15 2ddr n PRO 185 Ca 0.03 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 2ddr n PRO 185 Cb 0.48 -1.63 0.56 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 1.13 0.00 -1.16 2.55 2.04 -1.26 -2.90 115.26 115.65 2ddr n ASN 186 Ca 0.11 0.10 0.08 0.00 -0.44 0.00 0.00 54.58 54.43 2ddr n ASN 186 Cb 0.38 -0.34 0.28 0.00 -2.53 0.00 0.00 39.78 37.56 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 -1.34 3.98 -4.52 0.53 6.94 -1.26 -1.70 115.26 117.88 2ddr n ASN 187 Ca 0.10 -2.36 -0.31 0.00 -0.02 0.00 0.00 54.58 51.99 2ddr n ASN 187 Cb 0.21 -0.46 -0.11 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.67 2.15 0.06 -3.83 2.02 -1.14 -4.67 118.70 111.62 2ddr s GLU 188 Ca 0.41 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 2ddr s GLU 188 Cb 0.26 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 2ddr s GLU 188 CO 0.20 0.54 1.04 0.71 0.02 0.00 0.00 175.26 177.77 2ddr s TYR 189 N -1.05 3.64 -0.22 1.61 2.02 -1.26 -1.62 117.35 120.47 2ddr s TYR 189 Ca 0.17 1.63 0.01 0.00 -0.37 0.00 0.00 57.07 58.52 2ddr s TYR 189 Cb -0.11 -3.19 0.05 0.00 -0.40 0.00 0.00 41.96 38.32 2ddr s TYR 189 CO 0.09 -0.30 -0.09 0.08 -1.57 0.00 0.00 175.55 173.76 2ddr s VAL 190 N 0.60 1.72 -0.00 0.71 1.01 -1.26 -0.72 120.40 122.45 2ddr s VAL 190 Ca 0.52 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2ddr s VAL 190 Cb -0.24 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ddr s VAL 190 CO 0.30 0.06 -0.08 -0.76 0.00 0.00 0.00 175.10 174.62 2ddr s LEU 191 N 1.34 3.13 -0.12 3.92 1.43 0.39 -0.78 118.68 127.99 2ddr s LEU 191 Ca -0.04 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2ddr s LEU 191 Cb -0.18 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2ddr s LEU 191 CO -0.07 0.29 -0.18 -0.63 0.23 0.00 0.00 176.35 175.99 2ddr s ILE 192 N -0.96 1.71 0.10 -0.59 1.09 0.42 -0.57 121.20 122.39 2ddr s ILE 192 Ca 0.16 -0.77 -0.08 0.00 -1.10 0.00 0.00 60.65 58.86 2ddr s ILE 192 Cb -0.11 -1.54 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 2ddr s ILE 192 CO 0.06 0.48 0.18 -0.83 -0.10 0.00 0.00 174.94 174.74 2ddr s GLY 193 N 0.90 0.22 0.00 6.18 0.00 0.46 -0.87 107.32 114.21 2ddr s GLY 193 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2ddr s GLY 193 CO -0.01 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.82 2ddr n GLY 194 N -0.07 0.78 3.50 0.20 0.00 -0.19 -0.91 105.19 108.50 2ddr n GLY 194 Ca -0.13 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.75 6.27 0.15 1.61 3.68 -1.16 -1.77 116.67 121.69 2ddr s ASP 195 Ca 0.00 -0.58 0.25 0.00 2.13 0.00 0.00 52.55 54.35 2ddr s ASP 195 Cb 0.00 -2.44 0.60 0.00 -1.45 0.00 0.00 42.92 39.64 2ddr s ASP 195 CO 0.00 -1.35 1.56 0.23 0.13 0.00 0.00 175.17 175.74 2ddr n MET 196 N 7.69 0.25 -2.50 4.34 2.81 -0.27 -1.53 117.12 127.91 2ddr n MET 196 Ca -0.00 0.13 -0.19 0.00 -1.81 0.00 0.00 57.70 55.84 2ddr n MET 196 Cb 0.47 -1.72 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.12 -5.32 -4.20 7.83 3.02 -1.17 -4.53 115.26 108.77 2ddr n ASN 197 Ca 0.05 0.01 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 2ddr n ASN 197 Cb 0.43 -4.43 -0.15 0.00 -0.61 0.00 0.00 39.78 35.01 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 -2.93 2.65 -0.19 2.41 1.01 -1.26 -4.86 120.40 117.23 2ddr s VAL 198 Ca 0.04 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2ddr s VAL 198 Cb -0.02 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2ddr s VAL 198 CO 0.05 0.46 0.66 0.21 0.00 0.00 0.00 175.10 176.48 2ddr s ASN 199 N 1.37 6.74 0.19 3.32 2.47 -1.25 -4.20 114.94 123.58 2ddr s ASN 199 Ca 0.05 0.90 0.17 0.00 0.42 0.00 0.00 52.86 54.39 2ddr s ASN 199 Cb -0.14 -2.37 -0.01 0.00 -1.45 0.00 0.00 41.25 37.29 2ddr s ASN 199 CO -0.08 -0.28 1.18 0.50 -3.72 0.00 0.00 177.10 174.69 2ddr h LYS 200 N 7.42 0.00 -6.37 0.43 3.64 -1.77 -3.41 116.57 116.51 2ddr h LYS 200 Ca -0.32 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.48 2ddr h LYS 200 Cb 1.14 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.99 2ddr h LYS 200 CO 0.78 0.36 1.05 -0.89 -2.27 0.00 0.00 179.45 178.48 2ddr n ILE 201 N -3.04 0.44 -1.14 2.00 5.41 -1.26 -1.31 119.36 120.46 2ddr n ILE 201 Ca -0.03 -0.08 -0.05 0.00 1.00 0.00 0.00 62.75 63.60 2ddr n ILE 201 Cb 0.75 -1.88 -0.02 0.00 -0.71 0.00 0.00 39.64 37.78 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 5.86 -4.42 0.00 4.38 3.02 -1.26 -4.81 115.26 118.03 2ddr n ASN 202 Ca 0.20 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2ddr n ASN 202 Cb 0.32 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 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 1.09 1.10 -0.19 5.41 0.00 -0.42 -4.85 120.51 122.64 2ddr n ALA 203 Ca -0.05 -0.19 0.23 0.00 0.00 0.00 0.00 53.44 53.43 2ddr n ALA 203 Cb 0.30 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.36 2ddr n ALA 203 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ddr h GLU 204 N 0.00 0.21 -0.37 0.00 4.11 -1.81 -1.48 114.58 115.25 2ddr h GLU 204 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2ddr h GLU 204 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ddr h GLU 204 CO 0.00 0.14 0.00 0.09 0.07 0.00 0.00 179.01 179.31 2ddr n ASN 205 N -4.41 3.00 -4.47 3.06 3.02 -1.26 -4.90 115.26 109.30 2ddr n ASN 205 Ca 0.18 -1.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2ddr n ASN 205 Cb 0.78 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.01 6.18 0.00 6.41 3.84 -0.56 -4.94 114.94 124.86 2ddr s ASN 206 Ca 0.26 -0.79 0.13 0.00 0.21 0.00 0.00 52.86 52.67 2ddr s ASN 206 Cb 0.14 -2.22 0.56 0.00 -0.55 0.00 0.00 41.25 39.18 2ddr s ASN 206 CO 0.19 -0.61 1.42 -3.20 -2.79 0.00 0.00 177.10 172.11 2ddr n ASN 207 N 5.57 0.00 -0.71 -4.21 5.15 -1.26 -2.55 115.26 117.25 2ddr n ASN 207 Ca -0.08 0.49 0.07 0.00 -0.60 0.00 0.00 54.58 54.46 2ddr n ASN 207 Cb 0.47 -0.49 0.13 0.00 -0.53 0.00 0.00 39.78 39.36 2ddr n ASN 207 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2ddr n ASP 208 N -1.49 2.73 -4.80 1.20 8.00 -1.26 -4.64 116.55 116.29 2ddr n ASP 208 Ca 0.03 -1.81 -0.31 0.00 0.71 0.00 0.00 54.79 53.41 2ddr n ASP 208 Cb 0.15 -0.16 0.07 0.00 -0.02 0.00 0.00 41.12 41.16 2ddr n ASP 208 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ddr s SER 209 N -1.10 4.93 0.35 -2.24 1.04 -1.06 -4.87 113.70 110.76 2ddr s SER 209 Ca 0.24 1.55 0.04 0.00 0.48 0.00 0.00 55.95 58.27 2ddr s SER 209 Cb 0.14 -2.36 0.65 0.00 0.10 0.00 0.00 66.02 64.55 2ddr s SER 209 CO 0.19 -1.72 1.93 -0.08 0.98 0.00 0.00 173.24 174.54 2ddr h GLU 210 N -0.91 0.58 -0.21 4.02 4.81 -1.91 -1.19 114.58 119.76 2ddr h GLU 210 Ca -0.45 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2ddr h GLU 210 Cb 1.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2ddr h GLU 210 CO 0.57 0.52 0.02 -0.92 -0.73 0.00 0.00 179.01 178.47 2ddr h TYR 211 N 0.57 0.03 -0.54 0.92 3.20 -1.92 -1.39 116.97 117.85 2ddr h TYR 211 Ca 0.14 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2ddr h TYR 211 Cb 0.19 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2ddr h TYR 211 CO 0.01 -0.01 0.03 0.00 -1.64 0.00 0.00 178.16 176.55 2ddr h ALA 212 N 1.17 1.03 0.00 1.82 0.00 -1.59 -2.75 119.26 118.94 2ddr h ALA 212 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2ddr h ALA 212 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ddr h ALA 212 CO -0.15 0.61 -0.14 0.77 0.00 0.00 0.00 179.25 180.34 2ddr h SER 213 N 0.84 0.00 -0.53 0.00 0.02 -0.75 -2.85 113.55 110.28 2ddr h SER 213 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ddr h SER 213 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2ddr h SER 213 CO 0.02 0.14 0.33 -0.03 -1.14 0.00 0.00 176.83 176.15 2ddr h MET 214 N 0.00 0.71 -0.24 3.45 -1.53 -0.95 0.03 114.93 116.40 2ddr h MET 214 Ca -0.00 -0.06 -0.10 0.00 -3.44 0.00 0.00 59.70 56.10 2ddr h MET 214 Cb 0.34 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.23 2ddr h MET 214 CO 0.02 0.50 -0.29 0.74 0.14 0.00 0.00 176.91 178.02 2ddr h PHE 215 N 0.71 0.56 -0.25 1.39 0.04 -1.61 -1.96 116.94 115.81 2ddr h PHE 215 Ca 0.19 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 2ddr h PHE 215 Cb -0.04 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2ddr h PHE 215 CO -0.03 0.73 -0.15 0.87 -0.60 0.00 0.00 178.31 179.13 2ddr h LYS 216 N 0.43 0.55 -0.64 1.51 1.57 -1.37 0.29 116.57 118.90 2ddr h LYS 216 Ca 0.06 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 2ddr h LYS 216 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2ddr h LYS 216 CO 0.06 0.82 0.05 1.15 -0.57 0.00 0.00 179.45 180.95 2ddr h THR 217 N 0.27 1.26 -0.00 -0.16 2.02 -0.89 -2.77 112.91 112.64 2ddr h THR 217 Ca 0.05 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2ddr h THR 217 Cb 0.67 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2ddr h THR 217 CO 0.04 0.41 -0.37 0.18 0.37 0.00 0.00 175.52 176.15 2ddr n LEU 218 N -4.19 0.60 -3.63 2.58 4.77 -0.75 -4.76 117.00 111.61 2ddr n LEU 218 Ca 0.04 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2ddr n LEU 218 Cb 0.32 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2ddr n LEU 218 CO 0.44 0.13 0.04 0.59 -1.33 0.00 0.00 177.39 177.26 2ddr n ASN 219 N -1.24 -2.38 -4.64 -1.43 3.02 0.83 -4.73 115.26 104.69 2ddr n ASN 219 Ca 0.08 -0.73 -0.23 0.00 -0.03 0.00 0.00 54.58 53.67 2ddr n ASN 219 Cb 0.33 -4.46 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 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 -3.50 3.17 0.35 5.41 0.00 -0.11 -0.18 121.76 126.90 2ddr s ALA 220 Ca 0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2ddr s ALA 220 Cb -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2ddr s ALA 220 CO 0.78 0.24 0.61 -1.54 0.00 0.00 0.00 175.76 175.86 2ddr s SER 221 N -3.68 6.36 -0.15 0.00 1.04 -0.43 -4.72 113.70 112.13 2ddr s SER 221 Ca 0.32 0.69 -0.22 0.00 0.48 0.00 0.00 55.95 57.22 2ddr s SER 221 Cb -0.06 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 2ddr s SER 221 CO 0.20 -0.32 0.68 -0.69 0.98 0.00 0.00 173.24 174.09 2ddr s VAL 222 N -2.31 5.02 0.67 5.02 1.01 -1.26 -4.39 120.40 124.15 2ddr s VAL 222 Ca 0.44 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.66 2ddr s VAL 222 Cb -0.10 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2ddr s VAL 222 CO 0.35 0.15 1.01 -2.16 0.00 0.00 0.00 175.10 174.45 2ddr s PRO 223 N 1.53 2.71 0.05 2.72 0.04 -1.26 -5.00 135.00 135.78 2ddr s PRO 223 Ca 0.33 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 2ddr s PRO 223 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2ddr s PRO 223 CO 0.13 -0.98 0.96 -1.12 0.04 0.00 0.00 177.00 176.03 2ddr s SER 224 N -4.38 7.41 -0.19 6.66 0.01 0.12 -4.88 113.70 118.45 2ddr s SER 224 Ca 0.57 1.70 -0.09 0.00 1.31 0.00 0.00 55.95 59.43 2ddr s SER 224 Cb -0.11 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 2ddr s SER 224 CO 0.48 -0.16 0.11 -0.31 0.41 0.00 0.00 173.24 173.77 2ddr s TYR 225 N 0.53 3.37 0.25 2.43 1.51 -1.26 -0.60 117.35 123.59 2ddr s TYR 225 Ca 0.49 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 2ddr s TYR 225 Cb -0.22 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 2ddr s TYR 225 CO 0.28 0.26 0.16 0.95 -1.11 0.00 0.00 175.55 176.09 2ddr s THR 226 N 0.33 0.16 0.00 -0.71 -4.23 -0.49 -4.97 115.64 105.74 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 -0.11 -2.52 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 -0.43 -0.82 3.69 3.99 0.00 -1.26 -1.87 105.19 108.49 2ddr n GLY 227 Ca 0.02 -1.20 -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 1.78 -2.31 1.61 5.65 -0.42 -4.80 115.29 116.80 2ddr s HIS 228 Ca 0.00 1.69 0.23 0.00 0.25 0.00 0.00 55.06 57.23 2ddr s HIS 228 Cb 0.00 -3.46 0.87 0.00 -1.18 0.00 0.00 32.58 28.82 2ddr s HIS 228 CO 0.00 -2.83 1.62 0.25 -0.65 0.00 0.00 174.74 173.13 2ddr n THR 229 N -3.45 0.14 -3.68 0.89 -2.24 -1.26 -4.50 114.28 100.18 2ddr n THR 229 Ca 0.13 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2ddr n THR 229 Cb 0.51 0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.86 -1.10 -0.39 6.98 0.00 -1.26 -4.74 121.76 119.39 2ddr s ALA 230 Ca 0.34 0.64 0.17 0.00 0.00 0.00 0.00 51.96 53.12 2ddr s ALA 230 Cb 0.18 0.05 -0.23 0.00 0.00 0.00 0.00 23.12 23.12 2ddr s ALA 230 CO 0.28 -0.29 0.55 0.25 0.00 0.00 0.00 175.76 176.54 2ddr n THR 231 N 1.16 0.00 -3.72 0.00 -2.24 0.07 -4.75 114.28 104.81 2ddr n THR 231 Ca -0.21 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 2ddr n THR 231 Cb 0.56 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.95 1.52 -0.28 4.78 -0.00 -0.66 0.03 118.94 121.38 2ddr s TRP 232 Ca -0.00 -1.58 -0.01 0.00 -0.00 0.00 0.00 56.10 54.51 2ddr s TRP 232 Cb 0.12 -1.57 0.09 0.00 -0.00 0.00 0.00 33.47 32.11 2ddr s TRP 232 CO 0.72 -0.85 0.08 0.34 -0.00 0.00 0.00 176.95 177.24 2ddr s ASP 233 N 1.68 3.78 0.00 5.86 -1.08 -1.26 -0.73 116.67 124.93 2ddr s ASP 233 Ca 0.09 -1.44 0.14 0.00 -0.52 0.00 0.00 52.55 50.82 2ddr s ASP 233 Cb -0.17 -0.82 0.60 0.00 -1.46 0.00 0.00 42.92 41.07 2ddr s ASP 233 CO -0.25 -0.38 1.42 0.00 0.52 0.00 0.00 175.17 176.48 2ddr n ALA 234 N 4.89 1.65 1.07 3.66 0.00 -1.26 -0.27 120.51 130.24 2ddr n ALA 234 Ca -0.04 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2ddr n ALA 234 Cb 0.43 -1.22 0.35 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.46 0.00 0.00 0.00 -2.24 -1.26 -4.11 114.28 105.21 2ddr n THR 235 Ca 0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2ddr n THR 235 Cb 0.15 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.74 4.28 -2.24 -0.96 -5.07 114.28 105.23 2ddr n THR 236 Ca 0.07 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 2ddr n THR 236 Cb 0.33 0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.21 5.91 0.31 3.42 3.84 0.62 -5.01 114.94 123.83 2ddr s ASN 237 Ca 0.00 0.07 0.03 0.00 0.21 0.00 0.00 52.86 53.17 2ddr s ASN 237 Cb 0.00 -2.06 0.50 0.00 -0.55 0.00 0.00 41.25 39.15 2ddr s ASN 237 CO 0.00 0.08 1.81 0.77 -2.79 0.00 0.00 177.10 176.97 2ddr h SER 238 N 7.44 0.54 -0.05 -4.21 4.64 -1.90 -0.20 113.55 119.81 2ddr h SER 238 Ca -0.38 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 2ddr h SER 238 Cb 1.17 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2ddr h SER 238 CO 0.66 0.65 -0.43 0.40 -0.87 0.00 0.00 176.83 177.24 2ddr h ILE 239 N 0.53 1.42 -0.50 0.95 2.04 -1.93 -2.66 117.51 117.36 2ddr h ILE 239 Ca 0.10 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 2ddr h ILE 239 Cb 0.44 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2ddr h ILE 239 CO 0.02 0.54 0.13 0.00 0.00 0.00 0.00 178.15 178.85 2ddr h ALA 240 N 0.39 1.29 -0.67 1.87 0.00 -1.79 -2.07 119.26 118.29 2ddr h ALA 240 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2ddr h ALA 240 Cb 1.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2ddr h ALA 240 CO 0.09 0.50 0.26 -0.22 0.00 0.00 0.00 179.25 179.88 2ddr h LYS 241 N 0.73 0.99 -0.16 0.00 3.64 -1.01 0.14 116.57 120.90 2ddr h LYS 241 Ca 0.17 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2ddr h LYS 241 Cb 0.25 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2ddr h LYS 241 CO -0.00 0.81 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.99 2ddr h TYR 242 N 0.97 0.38 -0.07 1.91 3.20 -1.06 -2.19 116.97 120.12 2ddr h TYR 242 Ca 0.23 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2ddr h TYR 242 Cb 0.20 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2ddr h TYR 242 CO 0.02 0.65 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.24 2ddr h ASN 243 N 0.00 0.14 -2.08 -2.11 -0.26 -1.13 -3.40 115.58 106.75 2ddr h ASN 243 Ca 0.04 -0.41 -0.57 0.00 -0.56 0.00 0.00 56.30 54.80 2ddr h ASN 243 Cb 0.55 -0.04 -0.39 0.00 -1.06 0.00 0.00 38.32 37.38 2ddr h ASN 243 CO 0.02 0.52 -1.08 0.49 -1.06 0.00 0.00 177.43 176.33 2ddr n PHE 244 N -4.78 -0.50 -0.05 1.19 3.01 0.47 -4.99 117.46 111.81 2ddr n PHE 244 Ca -0.07 -3.50 0.19 0.00 1.01 0.00 0.00 57.45 55.08 2ddr n PHE 244 Cb 0.25 -0.21 0.64 0.00 -0.01 0.00 0.00 39.48 40.14 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 4.36 0.12 -0.53 -1.08 0.13 -1.51 -2.36 132.00 131.13 2ddr h PRO 245 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2ddr h PRO 245 Cb 0.89 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2ddr h PRO 245 CO 0.44 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 2ddr n ASP 246 N -4.41 3.61 -4.73 1.44 8.00 -1.26 -4.84 116.55 114.36 2ddr n ASP 246 Ca 0.11 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.22 2ddr n ASP 246 Cb 0.58 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.21 7.19 0.56 -2.24 0.01 -0.89 -5.03 113.70 112.09 2ddr s SER 247 Ca 0.41 1.43 -0.21 0.00 1.31 0.00 0.00 55.95 58.90 2ddr s SER 247 Cb 0.23 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2ddr s SER 247 CO 0.31 -0.09 1.26 -2.84 0.41 0.00 0.00 173.24 172.29 2ddr s PRO 248 N 0.43 3.14 0.61 12.44 0.02 -1.26 -4.52 135.00 145.86 2ddr s PRO 248 Ca 0.41 1.99 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 2ddr s PRO 248 Cb -0.20 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 2ddr s PRO 248 CO 0.23 -1.11 1.25 0.00 -0.33 0.00 0.00 177.00 177.03 2ddr n ALA 249 N -1.20 1.08 -2.43 -1.55 0.00 -1.26 -4.87 120.51 110.27 2ddr n ALA 249 Ca 0.11 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 2ddr n ALA 249 Cb 0.47 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.53 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 -3.09 1.04 -0.33 0.00 2.02 0.09 -4.98 118.70 113.45 2ddr s GLU 250 Ca 0.78 -1.31 0.02 0.00 0.02 0.00 0.00 54.97 54.49 2ddr s GLU 250 Cb -0.40 -0.83 0.09 0.00 0.10 0.00 0.00 34.13 33.09 2ddr s GLU 250 CO 0.44 0.15 0.04 -0.47 0.02 0.00 0.00 175.26 175.44 2ddr s TYR 251 N -2.49 3.61 0.00 1.61 5.04 -1.26 -0.75 117.35 123.11 2ddr s TYR 251 Ca 0.11 -2.71 0.00 0.00 -2.44 0.00 0.00 57.07 52.04 2ddr s TYR 251 Cb -0.03 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.55 2ddr s TYR 251 CO 0.03 -0.93 0.08 1.28 -1.34 0.00 0.00 175.55 174.67 2ddr n LEU 252 N 4.37 0.16 -4.63 6.97 4.77 -1.26 -1.84 117.00 125.54 2ddr n LEU 252 Ca -0.02 -0.51 -0.35 0.00 -0.03 0.00 0.00 56.01 55.11 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 0.24 0.04 -0.32 -1.81 -1.33 0.00 0.00 177.39 174.21 2ddr s ASP 253 N -0.70 5.15 0.11 -1.43 1.01 -1.26 -1.12 116.67 118.42 2ddr s ASP 253 Ca 0.00 0.07 -0.07 0.00 0.71 0.00 0.00 52.55 53.26 2ddr s ASP 253 Cb 0.00 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.34 2ddr s ASP 253 CO 0.00 0.31 0.17 -0.31 0.21 0.00 0.00 175.17 175.55 2ddr s TYR 254 N -0.48 0.34 -0.21 4.23 1.51 -0.73 -4.98 117.35 117.02 2ddr s TYR 254 Ca 0.08 -0.76 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 2ddr s TYR 254 Cb -0.12 -0.15 0.08 0.00 -0.11 0.00 0.00 41.96 41.66 2ddr s TYR 254 CO 0.02 -0.56 0.13 0.42 -1.11 0.00 0.00 175.55 174.45 2ddr s ILE 255 N -3.91 -0.13 0.17 2.71 1.01 -1.26 -1.02 121.20 118.76 2ddr s ILE 255 Ca 0.10 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.48 2ddr s ILE 255 Cb 0.05 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2ddr s ILE 255 CO -0.07 -0.41 -0.14 0.27 0.00 0.00 0.00 174.94 174.59 2ddr s ILE 256 N 2.17 1.58 -0.05 2.92 -4.36 -0.05 -4.89 121.20 118.52 2ddr s ILE 256 Ca 0.05 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.39 2ddr s ILE 256 Cb -0.16 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 2ddr s ILE 256 CO -0.19 -0.53 0.07 0.00 0.24 0.00 0.00 174.94 174.53 2ddr s ALA 257 N -2.69 3.56 0.13 2.27 0.00 -1.26 -0.44 121.76 123.34 2ddr s ALA 257 Ca 0.18 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2ddr s ALA 257 Cb -0.02 -1.63 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 2ddr s ALA 257 CO 0.05 0.65 1.22 0.45 0.00 0.00 0.00 175.76 178.13 2ddr s SER 258 N -1.35 7.05 0.21 0.00 0.15 0.04 -1.32 113.70 118.48 2ddr s SER 258 Ca 0.19 2.16 0.26 0.00 0.70 0.00 0.00 55.95 59.26 2ddr s SER 258 Cb -0.12 -2.59 0.85 0.00 -1.71 0.00 0.00 66.02 62.45 2ddr s SER 258 CO 0.09 -0.45 1.77 0.29 1.20 0.00 0.00 173.24 176.14 2ddr n LYS 259 N 3.23 0.25 0.00 5.44 5.02 0.75 -3.01 118.16 129.84 2ddr n LYS 259 Ca 0.07 0.24 0.14 0.00 -2.02 0.00 0.00 58.31 56.74 2ddr n LYS 259 Cb 0.45 -1.81 0.80 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.24 0.00 0.00 4.39 8.00 -1.26 -4.82 116.55 120.62 2ddr n ASP 260 Ca 0.05 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2ddr n ASP 260 Cb 0.40 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.14 0.00 -1.68 1.24 8.25 -1.16 -4.73 115.22 116.00 2ddr n HIS 261 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 2ddr n HIS 261 Cb 0.16 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 3.54 -0.35 -1.41 0.00 -0.64 -4.86 121.76 116.04 2ddr s ALA 262 Ca 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 2ddr s ALA 262 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2ddr s ALA 262 CO 0.00 -1.63 0.68 -0.80 0.00 0.00 0.00 175.76 174.00 2ddr s ASN 263 N 4.62 6.47 0.27 0.00 -0.87 -1.26 -4.63 114.94 119.54 2ddr s ASN 263 Ca 0.89 0.24 -0.30 0.00 -1.57 0.00 0.00 52.86 52.11 2ddr s ASN 263 Cb -0.42 -2.35 -0.12 0.00 -0.02 0.00 0.00 41.25 38.35 2ddr s ASN 263 CO 0.41 -0.62 1.64 -2.84 -2.57 0.00 0.00 177.10 173.12 2ddr s PRO 264 N 2.80 4.12 0.46 -0.60 0.02 -1.26 -4.86 135.00 135.67 2ddr s PRO 264 Ca 0.26 2.60 0.23 0.00 0.02 0.00 0.00 61.00 64.11 2ddr s PRO 264 Cb -0.14 -3.03 1.09 0.00 0.02 0.00 0.00 34.50 32.44 2ddr s PRO 264 CO 0.15 -0.67 1.93 0.66 -0.33 0.00 0.00 177.00 178.73 2ddr h SER 265 N 5.38 0.00 -3.33 2.53 4.64 -1.95 -3.42 113.55 117.39 2ddr h SER 265 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 2ddr h SER 265 Cb 1.21 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.05 2ddr h SER 265 CO 0.84 0.22 -0.24 -0.47 -0.87 0.00 0.00 176.83 176.31 2ddr s TYR 266 N -4.01 -0.64 -0.11 4.77 5.04 -1.26 -5.04 117.35 116.11 2ddr s TYR 266 Ca -0.02 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.94 2ddr s TYR 266 Cb 0.13 0.29 0.05 0.00 0.35 0.00 0.00 41.96 42.78 2ddr s TYR 266 CO 0.64 -0.34 0.22 -1.50 -1.34 0.00 0.00 175.55 173.23 2ddr s ILE 267 N 1.19 -0.24 0.08 3.14 2.07 -1.26 -0.38 121.20 125.81 2ddr s ILE 267 Ca -0.08 0.25 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 2ddr s ILE 267 Cb -0.07 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2ddr s ILE 267 CO -0.11 0.10 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.13 2ddr s GLU 268 N 1.94 1.86 -0.22 3.50 2.12 0.09 -0.70 118.70 127.30 2ddr s GLU 268 Ca -0.02 -1.11 0.01 0.00 0.36 0.00 0.00 54.97 54.21 2ddr s GLU 268 Cb -0.12 -2.11 0.05 0.00 0.26 0.00 0.00 34.13 32.21 2ddr s GLU 268 CO -0.08 0.50 -0.09 -0.80 -0.54 0.00 0.00 175.26 174.25 2ddr s ASN 269 N -1.76 3.70 -0.20 -1.70 0.02 0.23 -1.70 114.94 113.53 2ddr s ASN 269 Ca 0.16 -1.05 -0.03 0.00 -1.02 0.00 0.00 52.86 50.91 2ddr s ASN 269 Cb -0.10 -1.28 -0.01 0.00 0.02 0.00 0.00 41.25 39.87 2ddr s ASN 269 CO 0.07 -0.17 -0.05 -0.75 0.02 0.00 0.00 177.10 176.21 2ddr s LYS 270 N 1.34 3.43 -0.23 -0.60 2.20 0.23 -1.39 119.74 124.72 2ddr s LYS 270 Ca -0.04 -0.61 -0.21 0.00 -0.36 0.00 0.00 55.97 54.75 2ddr s LYS 270 Cb -0.17 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2ddr s LYS 270 CO -0.07 -0.07 0.66 0.08 -0.36 0.00 0.00 175.35 175.59 2ddr s VAL 271 N 1.14 4.97 0.28 4.02 1.01 -0.78 -0.40 120.40 130.64 2ddr s VAL 271 Ca 0.02 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.24 2ddr s VAL 271 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2ddr s VAL 271 CO -0.01 0.05 0.46 -0.76 0.00 0.00 0.00 175.10 174.84 2ddr s LEU 272 N 2.31 4.14 -0.49 3.92 1.43 -0.74 -1.30 118.68 127.95 2ddr s LEU 272 Ca 0.29 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 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 2.20 -2.48 1.70 6.02 -1.26 -4.16 117.38 118.09 2ddr n GLN 273 Ca -0.05 -4.20 -0.40 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 29.79 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 -2.89 4.57 -0.01 -1.09 0.04 -1.26 -5.03 135.00 129.33 2ddr s PRO 274 Ca 0.44 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2ddr s PRO 274 Cb 0.29 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 2ddr s PRO 274 CO -0.11 0.16 -0.03 0.15 0.04 0.00 0.00 177.00 177.21 2ddr s LYS 275 N -1.59 2.72 0.47 4.56 -0.14 -1.26 -4.67 119.74 119.83 2ddr s LYS 275 Ca 0.46 -0.62 0.03 0.00 -1.36 0.00 0.00 55.97 54.48 2ddr s LYS 275 Cb -0.31 -2.62 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2ddr s LYS 275 CO 0.39 0.63 0.67 -1.54 -0.76 0.00 0.00 175.35 174.74 2ddr s SER 276 N -1.38 5.62 0.62 2.83 1.04 -0.11 -4.97 113.70 117.35 2ddr s SER 276 Ca 0.17 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.43 2ddr s SER 276 Cb -0.11 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 2ddr s SER 276 CO 0.08 -0.83 1.20 -2.84 0.98 0.00 0.00 173.24 171.82 2ddr s PRO 277 N -4.55 2.84 0.39 4.02 0.02 -1.26 -4.61 135.00 131.85 2ddr s PRO 277 Ca 0.52 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 2ddr s PRO 277 Cb -0.10 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2ddr s PRO 277 CO 0.36 -1.30 1.49 1.04 -0.33 0.00 0.00 177.00 178.27 2ddr n GLN 278 N -1.83 2.66 -4.00 5.54 6.02 -1.26 -4.72 117.38 119.80 2ddr n GLN 278 Ca 0.13 0.94 -0.09 0.00 -0.01 0.00 0.00 57.00 57.97 2ddr n GLN 278 Cb 0.50 -2.68 -0.11 0.00 1.02 0.00 0.00 30.24 28.97 2ddr n GLN 278 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 2ddr s TRP 279 N -1.13 0.30 0.09 1.08 1.48 -0.38 -5.00 118.94 115.38 2ddr s TRP 279 Ca 0.54 -0.60 0.04 0.00 -1.06 0.00 0.00 56.10 55.03 2ddr s TRP 279 Cb -0.47 -0.22 -0.03 0.00 -1.16 0.00 0.00 33.47 31.59 2ddr s TRP 279 CO 0.63 -0.21 -0.12 0.95 -4.06 0.00 0.00 176.95 174.15 2ddr s THR 280 N -1.76 1.02 0.12 0.66 -4.23 -1.26 -1.02 115.64 109.17 2ddr s THR 280 Ca -0.13 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2ddr s THR 280 Cb -0.08 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 2ddr s THR 280 CO -0.02 -0.42 0.02 0.68 -0.54 0.00 0.00 174.62 174.34 2ddr s VAL 281 N -1.94 0.27 -0.06 2.29 -7.23 -0.50 -4.97 120.40 108.25 2ddr s VAL 281 Ca 0.02 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 2ddr s VAL 281 Cb -0.06 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 2ddr s VAL 281 CO 0.01 -0.62 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.09 2ddr s THR 282 N -3.92 1.72 -0.04 5.32 2.01 -1.26 -0.48 115.64 118.99 2ddr s THR 282 Ca 0.19 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2ddr s THR 282 Cb 0.07 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.13 2ddr s THR 282 CO -0.01 0.48 0.03 -0.44 -0.69 0.00 0.00 174.62 173.99 2ddr s SER 283 N 0.14 0.78 -1.26 3.53 0.01 0.33 -4.83 113.70 112.39 2ddr s SER 283 Ca -0.09 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 2ddr s SER 283 Cb -0.14 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2ddr s SER 283 CO 0.04 -0.17 0.73 0.79 0.41 0.00 0.00 173.24 175.04 2ddr n TRP 284 N 4.69 -1.95 -0.73 2.43 8.01 -1.26 -1.64 117.44 126.99 2ddr n TRP 284 Ca -0.16 0.79 0.00 0.00 -1.31 0.00 0.00 57.50 56.82 2ddr n TRP 284 Cb 0.50 -4.25 0.00 0.00 -2.01 0.00 0.00 31.31 25.55 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 -4.18 0.00 -4.81 -5.99 3.01 -1.26 -4.96 117.46 99.26 2ddr n PHE 285 Ca -0.26 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.87 2ddr n PHE 285 Cb 0.66 -1.20 -0.13 0.00 -0.01 0.00 0.00 39.48 38.80 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 -0.93 2.65 -0.05 -1.08 -0.21 -0.65 -5.11 119.66 114.27 2ddr s GLN 286 Ca 0.00 -0.66 -0.13 0.00 0.02 0.00 0.00 55.36 54.59 2ddr s GLN 286 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 2ddr s GLN 286 CO 0.00 0.59 0.34 -1.59 -2.12 0.00 0.00 175.29 172.51 2ddr s LYS 287 N -0.64 3.85 -0.04 2.91 -2.85 -1.26 -0.52 119.74 121.19 2ddr s LYS 287 Ca 0.10 0.26 0.05 0.00 -1.00 0.00 0.00 55.97 55.37 2ddr s LYS 287 Cb -0.11 -3.24 -0.01 0.00 -2.06 0.00 0.00 37.83 32.41 2ddr s LYS 287 CO 0.01 0.65 -0.18 0.71 0.10 0.00 0.00 175.35 176.64 2ddr s TYR 288 N -0.87 1.79 -0.07 1.78 1.51 0.37 -4.99 117.35 116.86 2ddr s TYR 288 Ca 0.21 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2ddr s TYR 288 Cb -0.15 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 2ddr s TYR 288 CO 0.10 -0.15 -0.13 0.99 -1.11 0.00 0.00 175.55 175.26 2ddr s THR 289 N -0.07 3.18 0.09 -0.71 2.01 -1.26 -1.41 115.64 117.47 2ddr s THR 289 Ca -0.02 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2ddr s THR 289 Cb -0.11 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2ddr s THR 289 CO 0.02 0.57 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.17 2ddr s TYR 290 N -0.46 0.79 -0.19 4.92 1.51 -0.19 -5.00 117.35 118.73 2ddr s TYR 290 Ca 0.06 -0.99 0.23 0.00 -1.01 0.00 0.00 57.07 55.36 2ddr s TYR 290 Cb -0.12 -0.49 0.47 0.00 -0.11 0.00 0.00 41.96 41.72 2ddr s TYR 290 CO 0.02 -0.25 1.15 0.27 -1.11 0.00 0.00 175.55 175.63 2ddr n ASN 291 N -0.01 1.21 -4.20 2.29 6.94 -1.26 -1.25 115.26 118.98 2ddr n ASN 291 Ca -0.12 -2.03 -0.19 0.00 -0.02 0.00 0.00 54.58 52.22 2ddr n ASN 291 Cb 0.61 -0.36 -0.12 0.00 -2.36 0.00 0.00 39.78 37.56 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 -3.16 1.83 0.30 0.53 1.01 -1.26 -0.93 116.67 114.99 2ddr s ASP 292 Ca 0.27 -0.65 0.16 0.00 0.71 0.00 0.00 52.55 53.05 2ddr s ASP 292 Cb 0.34 -0.06 0.10 0.00 1.01 0.00 0.00 42.92 44.31 2ddr s ASP 292 CO -0.08 -0.07 1.46 1.88 0.21 0.00 0.00 175.17 178.57 2ddr h TYR 293 N 4.17 0.00 -2.42 4.23 -1.99 -1.92 -3.44 116.97 115.60 2ddr h TYR 293 Ca -0.41 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.48 2ddr h TYR 293 Cb 1.19 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.85 2ddr h TYR 293 CO 0.63 0.42 0.47 0.45 -0.00 0.00 0.00 178.16 180.13 2ddr s SER 294 N -6.40 -0.16 0.07 3.88 0.15 -1.26 -4.84 113.70 105.14 2ddr s SER 294 Ca 0.04 -0.47 0.28 0.00 0.70 0.00 0.00 55.95 56.50 2ddr s SER 294 Cb 0.07 0.52 1.04 0.00 -1.71 0.00 0.00 66.02 65.94 2ddr s SER 294 CO 0.74 -0.97 1.84 -0.90 1.20 0.00 0.00 173.24 175.15 2ddr n ASP 295 N -0.56 0.31 -4.73 5.45 5.75 -1.26 -4.73 116.55 116.77 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 -3.04 3.05 0.16 2.11 3.76 -1.26 -4.26 115.29 115.82 2ddr s HIS 296 Ca 0.13 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2ddr s HIS 296 Cb 0.17 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 2ddr s HIS 296 CO 0.57 0.50 0.36 0.71 -0.85 0.00 0.00 174.74 176.03 2ddr s TYR 297 N -1.49 3.49 0.48 1.40 4.12 0.10 -4.85 117.35 120.59 2ddr s TYR 297 Ca 0.28 0.37 -0.16 0.00 0.02 0.00 0.00 57.07 57.57 2ddr s TYR 297 Cb -0.11 -1.86 -0.08 0.00 -1.52 0.00 0.00 41.96 38.38 2ddr s TYR 297 CO 0.20 0.43 0.94 -1.25 0.02 0.00 0.00 175.55 175.89 2ddr s PRO 298 N -3.05 3.96 -0.15 -1.71 0.04 -1.26 -4.75 135.00 128.09 2ddr s PRO 298 Ca 0.38 0.89 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2ddr s PRO 298 Cb -0.12 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2ddr s PRO 298 CO 0.28 -0.18 -0.16 0.08 0.04 0.00 0.00 177.00 177.06 2ddr s VAL 299 N -2.50 2.60 -0.26 -0.36 1.01 -0.66 -1.79 120.40 118.45 2ddr s VAL 299 Ca 0.58 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2ddr s VAL 299 Cb -0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2ddr s VAL 299 CO 0.28 0.52 0.08 -0.70 0.00 0.00 0.00 175.10 175.28 2ddr s GLU 300 N 0.81 3.57 -0.12 2.72 2.12 0.46 -1.60 118.70 126.67 2ddr s GLU 300 Ca -0.05 -0.54 -0.04 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 -0.23 0.05 0.00 -0.54 0.00 0.00 175.26 174.53 2ddr s ALA 301 N 1.60 3.47 -0.20 6.30 0.00 0.15 -0.60 121.76 132.48 2ddr s ALA 301 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2ddr s ALA 301 Cb -0.15 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2ddr s ALA 301 CO 0.04 0.51 -0.15 0.99 0.00 0.00 0.00 175.76 177.15 2ddr s THR 302 N -0.66 2.48 -0.18 0.00 2.01 -0.69 -1.92 115.64 116.69 2ddr s THR 302 Ca 0.11 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2ddr s THR 302 Cb -0.12 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.33 2ddr s THR 302 CO 0.02 0.49 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.62 2ddr s ILE 303 N 1.35 2.09 -0.15 1.82 1.09 -0.11 -0.73 121.20 126.56 2ddr s ILE 303 Ca 0.05 -0.97 -0.27 0.00 -1.10 0.00 0.00 60.65 58.36 2ddr s ILE 303 Cb -0.14 -1.90 -0.01 0.00 -1.06 0.00 0.00 42.46 39.36 2ddr s ILE 303 CO -0.10 0.51 0.93 -0.55 -0.10 0.00 0.00 174.94 175.63 2ddr s SER 304 N 1.28 7.09 0.00 3.58 0.15 0.49 -0.92 113.70 125.37 2ddr s SER 304 Ca 0.04 1.34 0.12 0.00 0.70 0.00 0.00 55.95 58.16 2ddr s SER 304 Cb -0.13 -2.50 0.10 0.00 -1.71 0.00 0.00 66.02 61.77 2ddr s SER 304 CO -0.12 -0.45 0.89 0.23 1.20 0.00 0.00 173.24 174.99