#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddr s THR 9 N 0.00 1.49 -0.12 5.18 2.01 -1.26 -1.17 115.64 121.77 2ddr s THR 9 Ca 0.00 -1.08 0.03 0.00 0.31 0.00 0.00 61.69 60.95 2ddr s THR 9 Cb 0.00 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2ddr s THR 9 CO 0.00 0.18 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.67 2ddr s LEU 10 N -1.05 2.08 -0.24 4.42 2.96 -0.12 -4.96 118.68 121.77 2ddr s LEU 10 Ca 0.06 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2ddr s LEU 10 Cb -0.08 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.22 2ddr s LEU 10 CO 0.01 0.12 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.57 2ddr s LYS 11 N 0.57 3.06 -0.04 1.98 1.02 -1.26 -0.75 119.74 124.32 2ddr s LYS 11 Ca -0.13 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.07 2ddr s LYS 11 Cb -0.17 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2ddr s LYS 11 CO 0.04 -0.32 -0.18 0.08 -0.92 0.00 0.00 175.35 174.05 2ddr s VAL 12 N 1.39 1.49 0.06 3.17 1.01 -0.67 0.04 120.40 126.88 2ddr s VAL 12 Ca 0.03 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2ddr s VAL 12 Cb -0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2ddr s VAL 12 CO -0.04 0.43 -0.20 -0.32 0.00 0.00 0.00 175.10 174.97 2ddr s MET 13 N -0.09 1.26 -0.02 2.72 0.00 -0.35 0.23 119.30 123.05 2ddr s MET 13 Ca -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 55.69 54.76 2ddr s MET 13 Cb -0.11 -1.39 -0.01 0.00 0.00 0.00 0.00 34.83 33.33 2ddr s MET 13 CO 0.02 0.35 -0.13 -0.08 0.00 0.00 0.00 175.02 175.17 2ddr s THR 14 N -0.89 1.06 -0.16 10.11 -1.32 -0.60 0.19 115.64 124.03 2ddr s THR 14 Ca 0.06 -0.56 -0.06 0.00 -1.21 0.00 0.00 61.69 59.92 2ddr s THR 14 Cb -0.09 -0.89 0.07 0.00 -1.51 0.00 0.00 72.50 70.08 2ddr s THR 14 CO 0.02 0.30 0.35 -2.28 -2.21 0.00 0.00 174.62 170.80 2ddr s HIS 15 N -0.21 -0.60 -0.52 9.09 5.04 -0.32 -1.45 115.29 126.32 2ddr s HIS 15 Ca 0.03 1.24 -0.26 0.00 -1.54 0.00 0.00 55.06 54.53 2ddr s HIS 15 Cb -0.06 0.16 0.03 0.00 0.04 0.00 0.00 32.58 32.75 2ddr s HIS 15 CO -0.00 -0.40 1.00 1.21 -2.34 0.00 0.00 174.74 174.21 2ddr s ASN 16 N 2.30 6.44 0.00 9.88 3.84 -1.26 -1.41 114.94 134.73 2ddr s ASN 16 Ca -0.02 -0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.19 2ddr s ASN 16 Cb -0.11 -2.47 0.62 0.00 -0.55 0.00 0.00 41.25 38.73 2ddr s ASN 16 CO -0.11 -1.22 1.46 1.33 -2.79 0.00 0.00 177.10 175.78 2ddr n VAL 17 N 6.42 0.30 -3.79 -5.21 0.24 -0.28 -4.28 118.33 111.72 2ddr n VAL 17 Ca 0.05 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.34 61.62 2ddr n VAL 17 Cb 0.48 0.35 0.03 0.00 -1.47 0.00 0.00 33.84 33.23 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 0.42 -1.83 -3.47 6.34 9.36 -1.26 -4.65 117.16 122.08 2ddr n TYR 18 Ca 0.15 0.42 -0.34 0.00 3.32 0.00 0.00 57.90 61.46 2ddr n TYR 18 Cb 0.33 -3.16 -0.06 0.00 -0.63 0.00 0.00 39.34 35.82 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 -4.08 2.91 -1.13 2.98 2.81 0.30 -4.94 117.12 115.97 2ddr n MET 19 Ca -0.13 -4.56 -0.32 0.00 -1.81 0.00 0.00 57.70 50.88 2ddr n MET 19 Cb 0.59 -2.37 0.12 0.00 -0.71 0.00 0.00 33.22 30.85 2ddr n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2ddr s LEU 20 N -2.03 3.06 0.27 4.03 1.43 -1.26 -1.49 118.68 122.68 2ddr s LEU 20 Ca 0.32 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 2ddr s LEU 20 Cb 0.03 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.58 2ddr s LEU 20 CO -0.05 -2.47 1.58 -0.55 0.23 0.00 0.00 176.35 175.09 2ddr s SER 21 N -2.73 6.44 0.00 2.29 0.15 -1.26 -4.13 113.70 114.46 2ddr s SER 21 Ca 0.67 2.86 0.19 0.00 0.70 0.00 0.00 55.95 60.37 2ddr s SER 21 Cb -0.22 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.28 2ddr s SER 21 CO 0.53 -0.87 1.60 0.35 1.20 0.00 0.00 173.24 176.04 2ddr n THR 22 N 2.53 0.68 0.20 6.45 -2.24 -1.26 -0.82 114.28 119.82 2ddr n THR 22 Ca 0.09 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.13 2ddr n THR 22 Cb 0.38 -0.85 0.26 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 -1.97 -2.80 115.58 113.98 2ddr h ASN 23 Ca 0.00 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.49 2ddr h ASN 23 Cb 0.30 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 2ddr h ASN 23 CO 0.00 0.25 -1.93 0.18 -1.06 0.00 0.00 177.43 174.87 2ddr n LEU 24 N -3.24 0.29 -3.53 1.61 4.77 -0.82 -4.80 117.00 111.28 2ddr n LEU 24 Ca 0.02 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2ddr n LEU 24 Cb 0.55 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.77 2ddr n LEU 24 CO 0.35 0.38 -0.25 -0.31 -1.33 0.00 0.00 177.39 176.23 2ddr s TYR 25 N -2.33 1.69 0.50 -1.77 2.02 0.00 -4.99 117.35 112.47 2ddr s TYR 25 Ca -0.08 -2.54 0.17 0.00 -0.37 0.00 0.00 57.07 54.24 2ddr s TYR 25 Cb 0.04 -1.37 1.23 0.00 -0.40 0.00 0.00 41.96 41.46 2ddr s TYR 25 CO 0.54 -0.76 2.10 -1.35 -1.57 0.00 0.00 175.55 174.51 2ddr h PRO 26 N 5.67 0.08 -1.63 -1.71 0.11 -1.73 -3.30 132.00 129.50 2ddr h PRO 26 Ca 0.22 -0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.70 2ddr h PRO 26 Cb 0.88 -0.02 -0.39 0.00 0.11 0.00 0.00 31.00 31.58 2ddr h PRO 26 CO 0.45 0.06 -0.38 0.09 -0.21 0.00 0.00 178.00 178.01 2ddr n ASN 27 N -4.50 5.25 -1.15 -2.05 4.13 -1.26 -4.65 115.26 111.03 2ddr n ASN 27 Ca 0.01 -3.74 0.08 0.00 1.68 0.00 0.00 54.58 52.61 2ddr n ASN 27 Cb 0.20 -0.58 0.29 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 -0.48 1.19 -2.59 3.10 5.03 -1.24 -4.77 117.44 117.67 2ddr n TRP 28 Ca 0.42 -0.77 -0.20 0.00 3.03 0.00 0.00 57.50 59.97 2ddr n TRP 28 Cb 0.57 -0.32 0.00 0.00 -1.03 0.00 0.00 31.31 30.54 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 0.02 -0.51 0.15 6.99 0.00 -1.26 -4.91 105.19 105.68 2ddr n GLY 29 Ca 0.22 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.38 0.24 0.03 1.61 7.50 -1.92 0.85 115.11 123.05 2ddr h GLN 30 Ca -0.48 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 58.66 2ddr h GLN 30 Cb 1.34 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.82 2ddr h GLN 30 CO 0.55 0.16 -0.01 1.15 -1.50 0.00 0.00 178.83 179.17 2ddr h THR 31 N 0.25 1.08 -0.42 -0.54 2.02 -1.92 -1.21 112.91 112.17 2ddr h THR 31 Ca 0.15 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2ddr h THR 31 Cb 0.13 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2ddr h THR 31 CO -0.16 0.09 0.20 -0.33 0.37 0.00 0.00 175.52 175.69 2ddr h GLU 32 N -0.19 0.40 0.00 6.66 3.07 -1.92 -1.91 114.58 120.68 2ddr h GLU 32 Ca -0.00 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2ddr h GLU 32 Cb 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2ddr h GLU 32 CO 0.01 0.26 -0.21 0.00 -1.40 0.00 0.00 179.01 177.66 2ddr h ARG 33 N 0.41 0.00 -0.81 2.33 3.08 -0.72 -0.75 114.38 117.91 2ddr h ARG 33 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2ddr h ARG 33 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2ddr h ARG 33 CO -0.14 0.21 0.40 0.00 -1.07 0.00 0.00 179.97 179.37 2ddr h ALA 34 N 1.79 1.04 -0.18 0.04 0.00 -0.40 0.21 119.26 121.75 2ddr h ALA 34 Ca -0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2ddr h ALA 34 Cb 0.47 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ddr h ALA 34 CO 0.03 0.59 -0.61 -0.44 0.00 0.00 0.00 179.25 178.82 2ddr h ASP 35 N 1.14 0.86 -0.29 0.00 3.45 -1.13 -1.82 116.42 118.62 2ddr h ASP 35 Ca 0.28 -0.60 -0.04 0.00 0.43 0.00 0.00 57.03 57.11 2ddr h ASP 35 Cb 0.10 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 2ddr h ASP 35 CO -0.04 1.31 0.04 -0.07 -1.57 0.00 0.00 179.24 178.91 2ddr h LEU 36 N 0.46 0.47 -0.55 1.55 3.38 -0.81 -2.34 115.31 117.46 2ddr h LEU 36 Ca -0.02 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2ddr h LEU 36 Cb 1.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2ddr h LEU 36 CO 0.13 0.62 0.05 0.40 0.09 0.00 0.00 178.44 179.73 2ddr h ILE 37 N 0.30 1.26 -0.26 1.22 2.04 -0.66 -1.17 117.51 120.25 2ddr h ILE 37 Ca 0.09 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.94 2ddr h ILE 37 Cb 0.36 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2ddr h ILE 37 CO 0.01 0.37 0.17 1.23 0.00 0.00 0.00 178.15 179.93 2ddr h GLY 38 N 0.82 0.26 -1.63 5.37 0.00 -1.19 -2.06 103.07 104.65 2ddr h GLY 38 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2ddr h GLY 38 CO 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 176.54 176.49 2ddr n ALA 39 N -2.52 2.81 -1.76 3.60 0.00 -0.89 -4.73 120.51 117.01 2ddr n ALA 39 Ca 0.02 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.40 2ddr n ALA 39 Cb 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.15 2.96 0.16 0.00 0.00 -0.46 -4.96 121.76 117.31 2ddr s ALA 40 Ca 0.25 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 2ddr s ALA 40 Cb 0.19 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2ddr s ALA 40 CO 0.39 -1.00 1.38 -0.44 0.00 0.00 0.00 175.76 176.09 2ddr h ASP 41 N 1.91 0.41 -0.20 0.00 3.45 -1.90 -3.31 116.42 116.80 2ddr h ASP 41 Ca -0.50 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 56.65 2ddr h ASP 41 Cb 1.27 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 2ddr h ASP 41 CO 0.59 1.08 0.13 0.10 -1.57 0.00 0.00 179.24 179.57 2ddr h TYR 42 N 0.20 0.24 -0.01 4.55 -0.00 -1.94 -2.17 116.97 117.84 2ddr h TYR 42 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.69 2ddr h TYR 42 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 36.73 38.09 2ddr h TYR 42 CO 0.04 0.15 -0.06 1.51 -0.00 0.00 0.00 178.16 179.80 2ddr n ILE 43 N -4.51 0.00 -2.12 -0.90 3.06 -1.24 -4.90 119.36 108.74 2ddr n ILE 43 Ca -0.00 -0.14 -0.27 0.00 -2.50 0.00 0.00 62.75 59.84 2ddr n ILE 43 Cb 0.08 0.16 0.07 0.00 0.54 0.00 0.00 39.64 40.48 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 -2.18 2.32 -1.57 9.51 1.02 -0.82 -4.45 119.74 123.57 2ddr s LYS 44 Ca 0.36 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2ddr s LYS 44 Cb 0.21 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2ddr s LYS 44 CO 0.40 -1.22 0.00 0.09 -0.92 0.00 0.00 175.35 173.70 2ddr n ASN 45 N -2.98 -5.27 -4.80 2.83 3.02 -1.26 -5.02 115.26 101.78 2ddr n ASN 45 Ca 0.07 0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 2ddr n ASN 45 Cb 0.60 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.38 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 -4.83 2.59 -0.15 3.52 -1.52 -1.26 -4.94 119.66 113.08 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 -2.36 -0.23 0.00 -0.22 0.00 0.00 33.01 30.20 2ddr s GLN 46 CO 0.00 0.11 0.23 -0.25 -0.25 0.00 0.00 175.29 175.14 2ddr n ASP 47 N -1.28 1.60 -3.84 5.90 10.43 0.11 -4.72 116.55 124.74 2ddr n ASP 47 Ca -0.02 0.13 -0.12 0.00 2.57 0.00 0.00 54.79 57.35 2ddr n ASP 47 Cb 0.60 -0.37 -0.12 0.00 1.84 0.00 0.00 41.12 43.07 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 0.02 -0.07 2.53 1.01 -0.95 -2.30 120.40 118.09 2ddr s VAL 48 Ca -0.21 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2ddr s VAL 48 Cb 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.24 2ddr s VAL 48 CO 0.74 -0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.98 2ddr s VAL 49 N -0.23 1.00 -0.20 2.92 1.01 -0.05 -1.21 120.40 123.65 2ddr s VAL 49 Ca -0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2ddr s VAL 49 Cb -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2ddr s VAL 49 CO 0.00 0.34 0.12 -0.63 0.00 0.00 0.00 175.10 174.93 2ddr s ILE 50 N 1.00 5.27 -0.01 2.22 1.01 0.13 -1.30 121.20 129.51 2ddr s ILE 50 Ca -0.09 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.76 2ddr s ILE 50 Cb -0.15 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2ddr s ILE 50 CO -0.00 0.44 -0.16 -0.76 0.00 0.00 0.00 174.94 174.45 2ddr s LEU 51 N 0.40 2.64 0.13 2.97 1.43 0.15 -1.18 118.68 125.22 2ddr s LEU 51 Ca 0.07 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2ddr s LEU 51 Cb -0.11 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2ddr s LEU 51 CO -0.01 0.31 -0.20 0.20 0.23 0.00 0.00 176.35 176.88 2ddr s ASN 52 N -0.99 2.61 -1.46 2.29 0.02 -0.50 -2.27 114.94 114.64 2ddr s ASN 52 Ca 0.13 -0.76 -0.06 0.00 -1.02 0.00 0.00 52.86 51.15 2ddr s ASN 52 Cb -0.11 -0.15 0.01 0.00 0.02 0.00 0.00 41.25 41.02 2ddr s ASN 52 CO 0.02 0.02 0.85 -0.62 0.02 0.00 0.00 177.10 177.39 2ddr n GLU 53 N 0.77 -6.18 -2.32 -0.60 1.02 0.04 -1.13 120.64 112.24 2ddr n GLU 53 Ca -0.17 0.87 -0.41 0.00 -0.02 0.00 0.00 57.16 57.43 2ddr n GLU 53 Cb 0.55 -5.80 0.00 0.00 -0.02 0.00 0.00 31.44 26.18 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 -4.72 5.35 0.00 2.62 0.24 -0.59 -0.54 118.33 120.69 2ddr n VAL 54 Ca -0.06 -4.95 -0.17 0.00 -2.04 0.00 0.00 64.34 57.12 2ddr n VAL 54 Cb 0.59 -1.98 -0.11 0.00 -1.47 0.00 0.00 33.84 30.87 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 4.76 0.58 -2.56 6.34 0.05 -1.70 -3.42 116.94 120.99 2ddr h PHE 55 Ca 0.56 -0.31 -0.53 0.00 3.82 0.00 0.00 57.97 61.50 2ddr h PHE 55 Cb 0.39 -0.07 0.02 0.00 2.00 0.00 0.00 35.95 38.30 2ddr h PHE 55 CO 1.42 1.13 1.09 0.34 -0.18 0.00 0.00 178.31 182.12 2ddr s ASP 56 N -6.71 6.51 0.08 2.17 2.15 -0.56 -4.75 116.67 115.56 2ddr s ASP 56 Ca -0.13 2.60 -0.25 0.00 0.43 0.00 0.00 52.55 55.20 2ddr s ASP 56 Cb 0.03 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.94 2ddr s ASP 56 CO 0.82 -0.97 1.69 0.78 -0.17 0.00 0.00 175.17 177.32 2ddr h ASN 57 N 8.98 -0.12 -0.11 -0.34 4.21 -1.92 0.12 115.58 126.39 2ddr h ASN 57 Ca -0.45 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.03 2ddr h ASN 57 Cb 1.21 0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2ddr h ASN 57 CO 0.94 -0.06 0.02 0.28 -1.29 0.00 0.00 177.43 177.32 2ddr h SER 58 N -0.17 0.18 -0.46 5.81 0.02 -1.99 -1.90 113.55 115.05 2ddr h SER 58 Ca -0.01 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2ddr h SER 58 Cb 0.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2ddr h SER 58 CO 0.02 0.39 -0.04 0.00 -1.14 0.00 0.00 176.83 176.07 2ddr h ALA 59 N 0.80 0.97 -0.48 3.77 0.00 -1.90 -1.05 119.26 121.36 2ddr h ALA 59 Ca 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2ddr h ALA 59 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2ddr h ALA 59 CO 0.00 0.62 0.01 0.66 0.00 0.00 0.00 179.25 180.54 2ddr h SER 60 N 0.82 0.81 -0.06 0.00 4.64 -0.93 0.12 113.55 118.95 2ddr h SER 60 Ca 0.15 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2ddr h SER 60 Cb 0.54 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2ddr h SER 60 CO 0.03 0.91 -0.19 0.44 -0.87 0.00 0.00 176.83 177.15 2ddr h ASP 61 N 0.69 0.43 -0.35 4.97 3.45 -1.18 -0.38 116.42 124.04 2ddr h ASP 61 Ca 0.14 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 2ddr h ASP 61 Cb 0.49 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 2ddr h ASP 61 CO 0.02 0.64 0.01 -0.09 -1.57 0.00 0.00 179.24 178.25 2ddr h ARG 62 N 0.40 0.62 -0.18 3.56 2.43 -0.80 -0.61 114.38 119.79 2ddr h ARG 62 Ca 0.07 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2ddr h ARG 62 Cb 0.57 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2ddr h ARG 62 CO 0.04 0.73 0.07 1.25 -1.51 0.00 0.00 179.97 180.54 2ddr h LEU 63 N 0.43 0.26 -0.99 3.80 5.85 -0.64 -0.44 115.31 123.57 2ddr h LEU 63 Ca 0.10 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2ddr h LEU 63 Cb 0.44 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2ddr h LEU 63 CO 0.02 0.36 0.66 -0.07 -0.34 0.00 0.00 178.44 179.06 2ddr h LEU 64 N 0.13 1.12 -0.93 2.25 3.38 -1.00 -0.81 115.31 119.45 2ddr h LEU 64 Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2ddr h LEU 64 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2ddr h LEU 64 CO -0.00 0.79 0.15 1.23 0.09 0.00 0.00 178.44 180.70 2ddr h GLY 65 N 1.31 1.01 2.00 0.83 0.00 -0.77 -1.54 103.07 105.92 2ddr h GLY 65 Ca 0.38 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2ddr h GLY 65 CO -0.10 0.56 -0.31 3.43 0.00 0.00 0.00 176.54 180.12 2ddr h ASN 66 N 0.90 0.00 0.34 0.19 2.35 -0.03 -2.68 115.58 116.64 2ddr h ASN 66 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2ddr h ASN 66 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2ddr h ASN 66 CO -0.00 0.31 -0.34 0.18 -1.65 0.00 0.00 177.43 175.92 2ddr n LEU 67 N -3.67 0.80 -0.34 1.61 4.77 -0.41 -4.37 117.00 115.38 2ddr n LEU 67 Ca -0.01 -0.15 0.02 0.00 -0.03 0.00 0.00 56.01 55.84 2ddr n LEU 67 Cb 0.42 -0.17 0.16 0.00 -2.33 0.00 0.00 43.42 41.50 2ddr n LEU 67 CO 0.35 0.16 1.23 0.50 -1.33 0.00 0.00 177.39 178.30 2ddr h LYS 68 N 0.72 1.03 -0.02 3.23 1.63 -0.94 0.21 116.57 122.43 2ddr h LYS 68 Ca 0.00 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2ddr h LYS 68 Cb 0.50 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 2ddr h LYS 68 CO 0.00 0.68 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.32 2ddr h LYS 69 N 1.07 -0.23 0.05 1.90 1.63 -1.78 -1.26 116.57 117.95 2ddr h LYS 69 Ca 0.41 0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.95 2ddr h LYS 69 Cb 0.19 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2ddr h LYS 69 CO -0.18 -0.15 -1.42 1.49 -3.45 0.00 0.00 179.45 175.74 2ddr h GLU 70 N -0.24 0.10 -2.33 1.90 4.81 -1.84 -3.40 114.58 113.58 2ddr h GLU 70 Ca 0.06 -0.17 -0.60 0.00 -0.13 0.00 0.00 59.36 58.52 2ddr h GLU 70 Cb 0.31 0.06 -0.41 0.00 0.63 0.00 0.00 28.75 29.34 2ddr h GLU 70 CO -0.16 0.90 -0.71 0.66 -0.73 0.00 0.00 179.01 178.96 2ddr n TYR 71 N -3.30 2.49 0.28 0.92 4.01 0.72 -4.37 117.16 117.91 2ddr n TYR 71 Ca -0.12 -4.01 0.17 0.00 -0.16 0.00 0.00 57.90 53.78 2ddr n TYR 71 Cb 1.01 -0.48 0.77 0.00 -0.31 0.00 0.00 39.34 40.34 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 4.46 0.00 -5.57 -0.72 0.13 -1.21 -3.38 132.00 125.71 2ddr h PRO 72 Ca 0.17 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.67 2ddr h PRO 72 Cb 0.74 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.73 2ddr h PRO 72 CO 0.71 0.03 0.21 -0.80 -0.23 0.00 0.00 178.00 177.93 2ddr s ASN 73 N -5.69 6.42 0.04 1.44 0.01 -0.85 -4.97 114.94 111.34 2ddr s ASN 73 Ca -0.00 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 2ddr s ASN 73 Cb 0.10 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 2ddr s ASN 73 CO 0.53 -0.72 -0.07 -1.10 -1.51 0.00 0.00 177.10 174.23 2ddr s GLN 74 N 2.90 0.51 0.50 -0.60 -0.21 -1.26 -0.03 119.66 121.47 2ddr s GLN 74 Ca 0.26 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.97 2ddr s GLN 74 Cb -0.14 -0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.59 2ddr s GLN 74 CO 0.18 0.06 0.72 0.95 -2.12 0.00 0.00 175.29 175.08 2ddr s THR 75 N -1.22 3.27 0.94 -0.19 -4.23 -0.39 -5.02 115.64 108.80 2ddr s THR 75 Ca -0.09 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.68 2ddr s THR 75 Cb -0.09 -3.21 0.18 0.00 1.34 0.00 0.00 72.50 70.72 2ddr s THR 75 CO 0.00 -0.15 1.30 0.00 -0.54 0.00 0.00 174.62 175.24 2ddr s ALA 76 N -2.66 2.29 -0.14 3.99 0.00 -1.26 -4.66 121.76 119.31 2ddr s ALA 76 Ca 0.53 -1.12 -0.22 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 20.19 2ddr s ALA 76 CO 0.38 -2.34 0.67 0.08 0.00 0.00 0.00 175.76 174.55 2ddr s VAL 77 N -3.85 5.03 0.04 0.00 1.01 -1.26 -4.62 120.40 116.75 2ddr s VAL 77 Ca 0.72 1.31 -0.38 0.00 0.00 0.00 0.00 61.98 63.63 2ddr s VAL 77 Cb -0.05 -3.99 -0.19 0.00 0.00 0.00 0.00 36.38 32.15 2ddr s VAL 77 CO 0.52 0.17 1.13 -0.11 0.00 0.00 0.00 175.10 176.82 2ddr n LEU 78 N 4.47 0.46 -0.11 3.92 7.94 0.56 -2.12 117.00 132.12 2ddr n LEU 78 Ca -0.01 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 56.02 2ddr n LEU 78 Cb 0.50 -1.01 -0.01 0.00 0.53 0.00 0.00 43.42 43.44 2ddr n LEU 78 CO 0.46 -1.68 -0.01 0.61 -1.11 0.00 0.00 177.39 175.65 2ddr n GLY 79 N 1.82 0.40 0.07 -3.96 0.00 -1.26 -0.40 105.19 101.86 2ddr n GLY 79 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.38 0.64 -3.89 1.61 0.63 -0.90 -4.52 116.66 108.84 2ddr n ARG 80 Ca -0.01 0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.86 2ddr n ARG 80 Cb 0.25 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.46 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 -5.21 -0.08 -0.10 6.15 1.04 -1.26 -5.08 113.70 109.15 2ddr s SER 81 Ca -0.05 -0.87 0.21 0.00 0.48 0.00 0.00 55.95 55.72 2ddr s SER 81 Cb 0.10 0.72 0.39 0.00 0.10 0.00 0.00 66.02 67.34 2ddr s SER 81 CO 0.84 -1.38 1.16 -1.54 0.98 0.00 0.00 173.24 173.30 2ddr n SER 82 N -0.73 0.72 -1.60 7.02 3.41 -1.26 -5.03 113.62 116.14 2ddr n SER 82 Ca -0.04 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2ddr n SER 82 Cb 0.60 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.03 0.50 0.00 5.00 0.00 -1.26 -4.92 105.19 104.48 2ddr n GLY 83 Ca 0.00 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.26 0.00 0.04 1.61 3.41 -1.26 -1.95 113.62 115.21 2ddr n SER 84 Ca 0.00 -0.15 0.10 0.00 -0.26 0.00 0.00 58.87 58.56 2ddr n SER 84 Cb 0.00 -0.10 0.41 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.10 0.07 -5.31 4.33 0.00 -1.26 -4.54 120.64 112.83 2ddr n GLU 85 Ca 0.06 0.26 -0.31 0.00 0.00 0.00 0.00 57.16 57.17 2ddr n GLU 85 Cb 0.05 -1.62 -0.16 0.00 0.00 0.00 0.00 31.44 29.71 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 -3.09 2.34 0.24 -1.84 0.52 -0.83 -4.73 118.94 111.55 2ddr s TRP 86 Ca 0.08 -0.45 0.11 0.00 0.02 0.00 0.00 56.10 55.86 2ddr s TRP 86 Cb 0.11 -1.50 0.34 0.00 -1.15 0.00 0.00 33.47 31.27 2ddr s TRP 86 CO 0.36 -0.04 1.60 -0.44 0.02 0.00 0.00 176.95 178.44 2ddr h ASP 87 N 5.51 0.00 -4.39 2.95 3.32 -0.75 -3.45 116.42 119.60 2ddr h ASP 87 Ca -0.43 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 2ddr h ASP 87 Cb 1.12 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.46 2ddr h ASP 87 CO 0.47 0.62 -0.08 -0.54 -1.72 0.00 0.00 179.24 177.99 2ddr s LYS 88 N -3.52 0.72 -0.27 3.56 1.02 -1.25 -5.05 119.74 114.94 2ddr s LYS 88 Ca -0.01 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.43 2ddr s LYS 88 Cb 0.12 0.34 0.06 0.00 -0.52 0.00 0.00 37.83 37.83 2ddr s LYS 88 CO 0.76 -0.15 -0.08 0.99 -0.92 0.00 0.00 175.35 175.94 2ddr s THR 89 N -0.39 2.25 0.34 2.17 2.01 -1.26 -2.07 115.64 118.69 2ddr s THR 89 Ca -0.05 -1.70 0.08 0.00 0.31 0.00 0.00 61.69 60.32 2ddr s THR 89 Cb -0.03 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2ddr s THR 89 CO 0.03 -0.10 0.23 -0.76 -0.69 0.00 0.00 174.62 173.34 2ddr s LEU 90 N 1.09 3.44 0.00 4.42 1.43 0.41 -5.00 118.68 124.46 2ddr s LEU 90 Ca -0.06 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2ddr s LEU 90 Cb -0.20 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2ddr s LEU 90 CO -0.05 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2ddr n GLY 91 N -1.29 -1.80 1.86 -3.19 0.00 -1.26 -1.36 105.19 98.15 2ddr n GLY 91 Ca -0.02 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.49 5.19 -4.76 1.61 4.05 -0.41 -4.76 115.26 116.67 2ddr n ASN 92 Ca 0.00 -2.44 -0.41 0.00 0.45 0.00 0.00 54.58 52.18 2ddr n ASN 92 Cb 0.00 -1.31 -0.02 0.00 1.23 0.00 0.00 39.78 39.68 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 0.73 2.89 -0.04 1.20 5.04 -1.26 -4.91 117.35 121.00 2ddr s TYR 93 Ca 0.46 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.18 2ddr s TYR 93 Cb 0.22 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.67 2ddr s TYR 93 CO 0.00 -2.77 -0.04 0.45 -1.34 0.00 0.00 175.55 171.85 2ddr s SER 94 N 0.14 0.83 0.00 4.32 0.15 -1.26 -5.02 113.70 112.86 2ddr s SER 94 Ca 0.57 -0.11 0.28 0.00 0.70 0.00 0.00 55.95 57.39 2ddr s SER 94 Cb -0.44 -0.37 1.29 0.00 -1.71 0.00 0.00 66.02 64.79 2ddr s SER 94 CO 0.50 -0.04 1.87 -1.54 1.20 0.00 0.00 173.24 175.23 2ddr n SER 95 N 3.90 0.94 -0.98 5.45 3.41 -1.26 -3.72 113.62 121.37 2ddr n SER 95 Ca -0.24 -1.36 0.08 0.00 -0.26 0.00 0.00 58.87 57.09 2ddr n SER 95 Cb 0.52 -0.01 0.23 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.24 3.49 -4.80 4.04 3.41 -1.26 -5.00 113.62 113.26 2ddr n SER 96 Ca 0.20 -2.09 -0.33 0.00 -0.26 0.00 0.00 58.87 56.38 2ddr n SER 96 Cb 0.26 -0.37 -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 -1.17 3.73 -0.34 6.66 -4.23 -1.24 -4.94 115.64 114.10 2ddr s THR 97 Ca 0.35 0.94 0.27 0.00 -1.18 0.00 0.00 61.69 62.07 2ddr s THR 97 Cb 0.20 -3.39 0.33 0.00 1.34 0.00 0.00 72.50 70.98 2ddr s THR 97 CO 0.22 -0.37 1.76 -0.65 -0.54 0.00 0.00 174.62 175.05 2ddr h PRO 98 N 0.94 0.00 -4.02 3.99 0.11 -1.89 -3.46 132.00 127.66 2ddr h PRO 98 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2ddr h PRO 98 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 2ddr h PRO 98 CO 0.58 0.00 -0.49 -2.00 -0.21 0.00 0.00 178.00 175.88 2ddr s GLU 99 N -3.33 0.83 0.67 1.05 2.56 -1.19 -5.06 118.70 114.22 2ddr s GLU 99 Ca 0.06 -1.12 0.02 0.00 0.00 0.00 0.00 54.97 53.92 2ddr s GLU 99 Cb 0.08 0.30 0.13 0.00 2.00 0.00 0.00 34.13 36.64 2ddr s GLU 99 CO 0.59 -0.24 0.91 -0.40 -0.56 0.00 0.00 175.26 175.56 2ddr n ASP 100 N -0.03 1.42 0.13 -1.70 5.68 -1.26 -3.93 116.55 116.85 2ddr n ASP 100 Ca -0.13 -2.15 0.13 0.00 -0.50 0.00 0.00 54.79 52.14 2ddr n ASP 100 Cb 0.62 -0.58 0.43 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.38 6.12 0.00 0.11 -3.42 103.07 105.06 2ddr h GLY 101 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 2ddr h GLY 101 CO 0.34 0.00 -0.15 0.61 0.00 0.00 0.00 176.54 177.34 2ddr n GLY 102 N 0.79 0.94 3.48 4.60 0.00 -1.24 -4.67 105.19 109.10 2ddr n GLY 102 Ca 0.04 -0.32 -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 -2.11 3.33 0.02 1.61 1.01 -1.26 -0.78 120.40 122.23 2ddr s VAL 103 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2ddr s VAL 103 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2ddr s VAL 103 CO 0.00 0.57 0.27 0.00 0.00 0.00 0.00 175.10 175.94 2ddr s ALA 104 N -0.35 -0.62 -0.04 5.51 0.00 -0.96 -0.33 121.76 124.97 2ddr s ALA 104 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.06 2ddr s ALA 104 Cb -0.12 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2ddr s ALA 104 CO 0.02 -0.35 -0.16 0.42 0.00 0.00 0.00 175.76 175.70 2ddr s ILE 105 N -2.16 1.34 0.14 0.00 1.01 -1.26 -0.67 121.20 119.60 2ddr s ILE 105 Ca -0.08 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2ddr s ILE 105 Cb -0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2ddr s ILE 105 CO -0.01 0.39 -0.17 0.68 0.00 0.00 0.00 174.94 175.83 2ddr s VAL 106 N 0.05 1.62 0.09 2.92 -7.23 -0.42 -1.27 120.40 116.16 2ddr s VAL 106 Ca -0.03 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 2ddr s VAL 106 Cb -0.11 -1.69 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2ddr s VAL 106 CO 0.02 -0.33 0.44 -0.55 -0.31 0.00 0.00 175.10 174.37 2ddr s SER 107 N -2.50 -0.31 0.00 4.85 0.15 0.95 -0.87 113.70 115.97 2ddr s SER 107 Ca 0.12 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.92 2ddr s SER 107 Cb -0.06 0.47 0.72 0.00 -1.71 0.00 0.00 66.02 65.44 2ddr s SER 107 CO 0.05 -0.77 1.55 2.29 1.20 0.00 0.00 173.24 177.55 2ddr n LYS 108 N 0.12 0.81 -4.17 5.44 2.85 -0.97 -2.00 118.16 120.23 2ddr n LYS 108 Ca -0.17 -0.48 -0.27 0.00 -1.05 0.00 0.00 58.31 56.34 2ddr n LYS 108 Cb 0.62 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.44 2ddr n LYS 108 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2ddr s TRP 109 N -2.52 2.93 0.31 5.58 0.52 -1.26 -4.89 118.94 119.61 2ddr s TRP 109 Ca 0.24 -0.10 -0.29 0.00 0.02 0.00 0.00 56.10 55.96 2ddr s TRP 109 Cb 0.19 -1.42 -0.12 0.00 -1.15 0.00 0.00 33.47 30.97 2ddr s TRP 109 CO 0.53 0.52 1.48 -2.30 0.02 0.00 0.00 176.95 177.20 2ddr n PRO 110 N -0.16 2.47 -3.60 4.98 -0.02 -1.26 -4.73 135.00 132.69 2ddr n PRO 110 Ca -0.09 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 2ddr n PRO 110 Cb 0.55 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.45 4.99 -0.13 4.25 1.01 -1.26 -1.54 121.20 128.06 2ddr s ILE 111 Ca 0.61 -0.20 0.16 0.00 0.00 0.00 0.00 60.65 61.22 2ddr s ILE 111 Cb -0.53 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2ddr s ILE 111 CO 0.55 0.10 1.16 0.00 0.00 0.00 0.00 174.94 176.74 2ddr h ALA 112 N 8.40 0.65 -3.03 9.38 0.00 -0.78 -3.47 119.26 130.41 2ddr h ALA 112 Ca -0.33 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 53.79 2ddr h ALA 112 Cb 1.16 0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 2ddr h ALA 112 CO 0.61 0.76 -0.40 -1.21 0.00 0.00 0.00 179.25 179.00 2ddr s GLU 113 N -2.95 0.31 -0.14 0.00 2.02 -1.17 -4.95 118.70 111.82 2ddr s GLU 113 Ca 0.01 0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 2ddr s GLU 113 Cb 0.08 0.09 0.04 0.00 0.10 0.00 0.00 34.13 34.44 2ddr s GLU 113 CO 0.78 -0.07 -0.02 0.15 0.02 0.00 0.00 175.26 176.11 2ddr s LYS 114 N 0.46 1.05 -0.01 1.61 1.02 -1.26 -1.79 119.74 120.82 2ddr s LYS 114 Ca -0.03 -0.27 0.04 0.00 0.02 0.00 0.00 55.97 55.73 2ddr s LYS 114 Cb -0.04 -1.66 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 2ddr s LYS 114 CO -0.02 -0.41 -0.11 0.42 -0.92 0.00 0.00 175.35 174.30 2ddr s ILE 115 N 1.79 0.91 0.07 2.17 1.01 -0.39 -0.11 121.20 126.65 2ddr s ILE 115 Ca 0.02 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.24 2ddr s ILE 115 Cb -0.14 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2ddr s ILE 115 CO -0.07 0.24 -0.18 0.00 0.00 0.00 0.00 174.94 174.93 2ddr s GLN 116 N -0.31 1.97 -0.04 2.79 -2.07 -0.88 -0.12 119.66 121.00 2ddr s GLN 116 Ca 0.04 -1.05 -0.01 0.00 -1.82 0.00 0.00 55.36 52.52 2ddr s GLN 116 Cb -0.05 -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 0.03 -0.47 -1.32 0.00 0.00 175.29 174.04 2ddr s TYR 117 N -1.01 0.27 -0.24 9.60 5.04 -0.15 -0.45 117.35 130.40 2ddr s TYR 117 Ca 0.16 0.07 -0.10 0.00 -2.44 0.00 0.00 57.07 54.76 2ddr s TYR 117 Cb -0.11 -0.50 -0.05 0.00 0.35 0.00 0.00 41.96 41.65 2ddr s TYR 117 CO 0.07 -0.19 0.15 0.08 -1.34 0.00 0.00 175.55 174.32 2ddr s VAL 118 N 1.66 5.17 0.43 3.14 1.01 -0.46 -0.63 120.40 130.73 2ddr s VAL 118 Ca -0.01 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 2ddr s VAL 118 Cb -0.13 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2ddr s VAL 118 CO -0.03 0.33 1.17 0.49 0.00 0.00 0.00 175.10 177.06 2ddr n PHE 119 N 4.47 1.74 0.09 5.22 0.99 -0.06 -1.29 117.46 128.62 2ddr n PHE 119 Ca -0.15 0.52 -0.08 0.00 -0.00 0.00 0.00 57.45 57.73 2ddr n PHE 119 Cb 0.52 -2.31 -0.03 0.00 -1.00 0.00 0.00 39.48 36.66 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 1.78 0.48 -2.37 4.37 0.00 -1.94 -3.39 119.26 118.19 2ddr h ALA 120 Ca -0.47 -0.76 -0.53 0.00 0.00 0.00 0.00 54.91 53.14 2ddr h ALA 120 Cb 1.31 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2ddr h ALA 120 CO 0.58 0.98 -0.76 0.15 0.00 0.00 0.00 179.25 180.20 2ddr s LYS 121 N -3.08 1.47 -0.03 0.00 1.02 -1.26 -5.00 119.74 112.86 2ddr s LYS 121 Ca -0.02 -1.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 2ddr s LYS 121 Cb 0.10 -1.45 0.10 0.00 -0.52 0.00 0.00 37.83 36.07 2ddr s LYS 121 CO 0.83 0.27 0.89 0.20 -0.92 0.00 0.00 175.35 176.62 2ddr s GLY 122 N -3.26 -0.44 0.23 -3.33 0.00 -1.26 -4.92 107.32 94.33 2ddr s GLY 122 Ca 0.24 1.21 -0.12 0.00 0.00 0.00 0.00 44.72 46.05 2ddr s GLY 122 CO 0.10 0.49 1.62 0.00 0.00 0.00 0.00 173.10 175.31 2ddr n GLY 124 N -1.45 0.23 0.00 0.00 0.00 -1.26 -4.64 105.19 98.06 2ddr n GLY 124 Ca 0.10 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2ddr n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddr n PRO 125 N -1.42 0.08 -3.82 1.61 -0.04 -1.26 -4.77 135.00 125.38 2ddr n PRO 125 Ca 0.14 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2ddr n PRO 125 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 2ddr n PRO 125 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ddr s ASP 126 N -2.86 0.00 -0.26 3.54 -4.77 -1.26 -5.09 116.67 105.98 2ddr s ASP 126 Ca 0.10 -0.38 -0.29 0.00 -3.30 0.00 0.00 52.55 48.68 2ddr s ASP 126 Cb 0.10 0.32 -0.01 0.00 -1.09 0.00 0.00 42.92 42.24 2ddr s ASP 126 CO 0.27 -0.62 1.45 0.21 0.70 0.00 0.00 175.17 177.17 2ddr s ASN 127 N -2.27 6.55 0.00 2.11 2.47 -1.26 -4.87 114.94 117.67 2ddr s ASN 127 Ca -0.03 1.42 0.00 0.00 0.42 0.00 0.00 52.86 54.68 2ddr s ASN 127 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2ddr s ASN 127 CO -0.06 -1.15 0.76 0.18 -3.72 0.00 0.00 177.10 173.12 2ddr n LEU 128 N 7.95 1.50 0.00 3.21 4.77 -1.26 -4.75 117.00 128.42 2ddr n LEU 128 Ca 0.17 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2ddr n LEU 128 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2ddr n LEU 128 CO 0.64 0.37 0.06 -0.24 -1.33 0.00 0.00 177.39 176.89 2ddr n SER 129 N -0.27 0.00 -4.18 -1.43 2.88 -1.25 -3.16 113.62 106.21 2ddr n SER 129 Ca 0.00 -1.00 -0.35 0.00 -1.33 0.00 0.00 58.87 56.19 2ddr n SER 129 Cb 0.15 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 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 -3.26 -4.75 -3.46 3.02 -1.25 -0.97 115.26 104.59 2ddr n ASN 130 Ca 0.00 -0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 53.20 2ddr n ASN 130 Cb 0.49 -2.89 0.04 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 -6.88 2.93 0.00 3.52 -0.14 -1.26 -3.65 119.74 114.26 2ddr s LYS 131 Ca 0.68 1.90 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 2ddr s LYS 131 Cb -0.37 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2ddr s LYS 131 CO 0.92 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 174.66 2ddr n GLY 132 N 0.60 -0.76 3.21 -3.33 0.00 -1.26 -0.88 105.19 102.77 2ddr n GLY 132 Ca 0.14 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.36 0.46 -0.12 1.61 -0.12 0.20 -3.56 117.98 113.10 2ddr s PHE 133 Ca 0.00 -0.88 0.03 0.00 -0.05 0.00 0.00 56.93 56.03 2ddr s PHE 133 Cb 0.00 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 2ddr s PHE 133 CO 0.00 -0.56 -0.23 0.08 -0.05 0.00 0.00 175.22 174.46 2ddr s VAL 134 N -3.95 2.10 -0.11 -2.49 1.01 0.17 -0.98 120.40 116.16 2ddr s VAL 134 Ca 0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 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 -0.04 0.55 -0.02 -0.47 0.00 0.00 0.00 175.10 175.12 2ddr s TYR 135 N 0.51 3.08 0.01 5.22 5.04 0.83 -0.74 117.35 131.29 2ddr s TYR 135 Ca -0.14 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.52 2ddr s TYR 135 Cb -0.17 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 2ddr s TYR 135 CO 0.05 0.28 -0.05 0.95 -1.34 0.00 0.00 175.55 175.45 2ddr s THR 136 N -0.45 0.36 -0.22 4.34 -4.23 -0.38 -1.26 115.64 113.80 2ddr s THR 136 Ca 0.08 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2ddr s THR 136 Cb -0.12 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 2ddr s THR 136 CO 0.02 -0.01 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.31 2ddr s LYS 137 N -0.40 3.39 -0.05 3.99 2.20 -0.74 -1.26 119.74 126.88 2ddr s LYS 137 Ca -0.01 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2ddr s LYS 137 Cb -0.03 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2ddr s LYS 137 CO -0.00 -0.19 -0.24 0.42 -0.36 0.00 0.00 175.35 174.98 2ddr s ILE 138 N 1.46 2.00 -0.64 5.43 1.01 0.71 0.02 121.20 131.19 2ddr s ILE 138 Ca 0.06 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2ddr s ILE 138 Cb -0.14 -1.69 0.10 0.00 0.01 0.00 0.00 42.46 40.74 2ddr s ILE 138 CO -0.03 0.56 0.80 -0.75 0.00 0.00 0.00 174.94 175.52 2ddr s LYS 139 N -0.19 3.12 -0.47 2.79 2.47 -0.59 -0.21 119.74 126.66 2ddr s LYS 139 Ca -0.02 -1.28 -0.15 0.00 -1.56 0.00 0.00 55.97 52.95 2ddr s LYS 139 Cb -0.13 -4.31 0.07 0.00 -1.46 0.00 0.00 37.83 32.00 2ddr s LYS 139 CO 0.03 -1.62 0.38 0.21 0.16 0.00 0.00 175.35 174.52 2ddr s LYS 140 N 2.91 2.95 -0.95 4.03 2.47 0.20 -4.14 119.74 127.20 2ddr s LYS 140 Ca 0.16 -1.36 -0.11 0.00 -1.56 0.00 0.00 55.97 53.10 2ddr s LYS 140 Cb -0.21 -4.10 0.01 0.00 -1.46 0.00 0.00 37.83 32.07 2ddr s LYS 140 CO 0.05 -1.02 0.68 0.09 0.16 0.00 0.00 175.35 175.31 2ddr n ASN 141 N 5.18 -5.29 -0.44 1.43 3.02 -1.26 -1.22 115.26 116.67 2ddr n ASN 141 Ca -0.12 -0.90 -0.06 0.00 -0.03 0.00 0.00 54.58 53.47 2ddr n ASN 141 Cb 0.44 -2.61 -0.02 0.00 -0.61 0.00 0.00 39.78 36.97 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 -2.41 -5.39 -4.06 6.41 -0.08 -1.26 -4.96 116.55 104.79 2ddr n ASP 142 Ca -0.18 0.14 -0.25 0.00 -1.51 0.00 0.00 54.79 52.99 2ddr n ASP 142 Cb 0.62 -3.39 -0.16 0.00 2.34 0.00 0.00 41.12 40.52 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 -2.27 1.67 -0.21 -0.67 3.52 -0.36 -5.12 118.95 115.51 2ddr s ARG 143 Ca 0.00 -0.47 -0.19 0.00 -0.13 0.00 0.00 55.73 54.94 2ddr s ARG 143 Cb 0.00 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.95 2ddr s ARG 143 CO 0.00 0.11 0.56 -0.06 -0.81 0.00 0.00 175.30 175.10 2ddr s PHE 144 N 0.40 3.35 0.17 5.12 0.40 -1.26 0.58 117.98 126.73 2ddr s PHE 144 Ca -0.10 0.79 0.09 0.00 -0.60 0.00 0.00 56.93 57.12 2ddr s PHE 144 Cb -0.14 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.62 2ddr s PHE 144 CO 0.03 -0.17 -0.14 0.14 0.70 0.00 0.00 175.22 175.78 2ddr s VAL 145 N 1.90 2.96 -0.13 -0.44 -7.23 0.71 -4.38 120.40 113.79 2ddr s VAL 145 Ca 0.25 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2ddr s VAL 145 Cb -0.16 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.36 2ddr s VAL 145 CO 0.10 -0.07 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.60 2ddr s HIS 146 N -1.58 2.55 -0.12 2.82 0.09 0.09 -0.21 115.29 118.94 2ddr s HIS 146 Ca 0.23 -1.22 0.01 0.00 -0.00 0.00 0.00 55.06 54.08 2ddr s HIS 146 Cb -0.09 -1.74 0.02 0.00 -0.00 0.00 0.00 32.58 30.77 2ddr s HIS 146 CO 0.13 -0.55 -0.14 0.08 -0.00 0.00 0.00 174.74 174.26 2ddr s VAL 147 N 0.72 1.48 -0.19 -0.90 1.01 -0.39 -0.19 120.40 121.94 2ddr s VAL 147 Ca -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2ddr s VAL 147 Cb -0.16 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2ddr s VAL 147 CO 0.01 0.44 -0.05 -0.63 0.00 0.00 0.00 175.10 174.87 2ddr s ILE 148 N 1.13 3.57 -0.09 2.22 1.01 0.34 -1.25 121.20 128.14 2ddr s ILE 148 Ca -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2ddr s ILE 148 Cb -0.14 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2ddr s ILE 148 CO -0.04 0.45 -0.06 -0.83 0.00 0.00 0.00 174.94 174.47 2ddr s GLY 149 N 0.95 1.71 0.28 6.18 0.00 0.08 -0.44 107.32 116.08 2ddr s GLY 149 Ca -0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 2ddr s GLY 149 CO 0.01 -0.49 0.48 -1.08 0.00 0.00 0.00 173.10 172.01 2ddr s THR 150 N -0.48 0.00 -0.24 0.90 -1.32 -0.14 -0.66 115.64 113.71 2ddr s THR 150 Ca 0.07 -1.48 -0.03 0.00 -1.21 0.00 0.00 61.69 59.04 2ddr s THR 150 Cb -0.12 -2.41 0.13 0.00 -1.51 0.00 0.00 72.50 68.58 2ddr s THR 150 CO 0.02 0.00 0.35 -2.28 -2.21 0.00 0.00 174.62 170.50 2ddr s HIS 151 N -3.60 -0.73 0.60 9.09 2.46 -1.23 -2.86 115.29 119.02 2ddr s HIS 151 Ca 0.26 0.72 -0.04 0.00 0.47 0.00 0.00 55.06 56.47 2ddr s HIS 151 Cb -0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.43 2ddr s HIS 151 CO 0.13 -0.70 0.88 -0.51 -2.47 0.00 0.00 174.74 172.07 2ddr s LEU 152 N 2.51 3.15 0.06 8.88 1.43 -0.61 -4.45 118.68 129.64 2ddr s LEU 152 Ca 0.12 0.41 -0.37 0.00 -1.03 0.00 0.00 54.13 53.26 2ddr s LEU 152 Cb -0.15 -3.20 -0.17 0.00 0.03 0.00 0.00 46.19 42.70 2ddr s LEU 152 CO -0.15 -1.22 1.36 1.67 0.23 0.00 0.00 176.35 178.24 2ddr n GLN 153 N -2.58 1.10 -2.32 1.70 -0.06 -1.26 -4.74 117.38 109.22 2ddr n GLN 153 Ca 0.06 0.40 -0.28 0.00 -2.00 0.00 0.00 57.00 55.18 2ddr n GLN 153 Cb 0.59 -2.04 0.02 0.00 -4.06 0.00 0.00 30.24 24.75 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 0.69 3.25 0.17 1.69 0.00 -1.26 -4.78 121.76 121.52 2ddr s ALA 154 Ca 0.86 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 2ddr s ALA 154 Cb -0.98 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 2ddr s ALA 154 CO 0.49 -0.66 1.50 -2.00 0.00 0.00 0.00 175.76 175.09 2ddr s GLU 155 N -4.98 4.25 -0.18 0.00 2.56 -1.26 -4.88 118.70 114.21 2ddr s GLU 155 Ca 0.52 2.29 -0.09 0.00 0.00 0.00 0.00 54.97 57.70 2ddr s GLU 155 Cb -0.11 -3.16 0.07 0.00 2.00 0.00 0.00 34.13 32.93 2ddr s GLU 155 CO 0.47 -0.53 0.41 0.34 -0.56 0.00 0.00 175.26 175.39 2ddr s ASP 156 N 0.96 -0.44 0.24 -1.70 2.15 -1.26 -5.03 116.67 111.58 2ddr s ASP 156 Ca 0.67 0.91 -0.01 0.00 0.43 0.00 0.00 52.55 54.55 2ddr s ASP 156 Cb -0.42 0.90 0.28 0.00 -0.30 0.00 0.00 42.92 43.38 2ddr s ASP 156 CO 0.34 -0.20 1.65 0.77 -0.17 0.00 0.00 175.17 177.56 2ddr h SER 157 N 7.37 0.61 -0.29 -0.34 4.64 -2.01 -2.74 113.55 120.80 2ddr h SER 157 Ca -0.32 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 60.63 2ddr h SER 157 Cb 1.17 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.00 2ddr h SER 157 CO 0.25 0.87 0.19 0.23 -0.87 0.00 0.00 176.83 177.50 2ddr n MET 158 N -4.09 1.40 0.06 4.77 2.81 -1.26 -4.31 117.12 116.50 2ddr n MET 158 Ca -0.01 -0.89 0.08 0.00 -1.81 0.00 0.00 57.70 55.07 2ddr n MET 158 Cb 0.45 -1.36 0.35 0.00 -0.71 0.00 0.00 33.22 31.94 2ddr n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ddr n GLY 160 N -0.47 0.25 0.19 0.00 0.00 -1.26 -4.49 105.19 99.41 2ddr n GLY 160 Ca 0.02 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2ddr n GLY 160 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ddr h LYS 161 N 0.00 0.64 0.00 1.61 -0.00 -1.94 -3.45 116.57 113.43 2ddr h LYS 161 Ca 0.00 -0.45 -0.10 0.00 -0.00 0.00 0.00 60.65 60.10 2ddr h LYS 161 Cb 0.00 0.07 0.04 0.00 -0.00 0.00 0.00 32.23 32.34 2ddr h LYS 161 CO 0.00 1.07 0.08 0.25 -0.00 0.00 0.00 179.45 180.84 2ddr n THR 162 N -4.19 0.00 -4.34 0.07 -2.24 -1.26 -5.10 114.28 97.22 2ddr n THR 162 Ca -0.06 -0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2ddr n THR 162 Cb 0.58 -1.61 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 2ddr n THR 162 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ddr s SER 163 N -2.16 2.82 0.43 3.42 1.04 -1.26 -4.82 113.70 113.17 2ddr s SER 163 Ca 0.17 -0.83 0.13 0.00 0.48 0.00 0.00 55.95 55.90 2ddr s SER 163 Cb -0.01 -0.17 1.00 0.00 0.10 0.00 0.00 66.02 66.93 2ddr s SER 163 CO 0.13 0.02 1.99 -0.65 0.98 0.00 0.00 173.24 175.70 2ddr h PRO 164 N 3.41 0.43 -0.41 4.02 0.11 -1.90 -1.50 132.00 136.17 2ddr h PRO 164 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2ddr h PRO 164 Cb 1.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2ddr h PRO 164 CO 0.48 0.28 0.16 0.00 -0.21 0.00 0.00 178.00 178.71 2ddr h ALA 165 N 1.70 0.53 -0.45 -0.75 0.00 -1.94 0.11 119.26 118.46 2ddr h ALA 165 Ca 0.27 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2ddr h ALA 165 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ddr h ALA 165 CO -0.08 0.15 0.03 0.66 0.00 0.00 0.00 179.25 180.01 2ddr h SER 166 N 0.52 0.68 -0.21 0.00 4.64 -1.71 -0.88 113.55 116.59 2ddr h SER 166 Ca 0.14 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2ddr h SER 166 Cb 0.20 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2ddr h SER 166 CO -0.01 0.74 -0.09 0.58 -0.87 0.00 0.00 176.83 177.18 2ddr h VAL 167 N 0.68 1.30 -0.91 0.95 2.07 -1.00 -2.15 116.25 117.19 2ddr h VAL 167 Ca 0.14 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2ddr h VAL 167 Cb 0.39 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2ddr h VAL 167 CO 0.01 0.35 0.56 0.03 0.02 0.00 0.00 177.57 178.54 2ddr h ARG 168 N 0.15 1.23 -0.55 1.57 3.08 -0.53 -0.56 114.38 118.78 2ddr h ARG 168 Ca 0.05 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2ddr h ARG 168 Cb 0.57 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2ddr h ARG 168 CO 0.03 0.85 0.14 1.15 -1.07 0.00 0.00 179.97 181.07 2ddr h THR 169 N 1.26 1.22 -0.36 2.04 2.02 -1.05 0.14 112.91 118.18 2ddr h THR 169 Ca 0.33 -0.79 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 2ddr h THR 169 Cb -0.07 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2ddr h THR 169 CO -0.06 0.30 -0.26 -1.13 0.37 0.00 0.00 175.52 174.74 2ddr h ASN 170 N 0.81 0.74 -0.32 4.18 -0.73 -0.64 -0.58 115.58 119.03 2ddr h ASN 170 Ca 0.18 -0.28 -0.14 0.00 1.87 0.00 0.00 56.30 57.93 2ddr h ASN 170 Cb 0.28 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 2ddr h ASN 170 CO -0.00 0.97 -0.34 1.56 -0.37 0.00 0.00 177.43 179.24 2ddr h GLN 171 N 0.63 0.80 -0.52 6.67 4.20 -0.46 -2.21 115.11 124.22 2ddr h GLN 171 Ca 0.08 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 2ddr h GLN 171 Cb 0.76 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 2ddr h GLN 171 CO 0.06 1.07 0.16 -0.07 -0.67 0.00 0.00 178.83 179.38 2ddr h LEU 172 N 0.58 0.72 -0.97 1.46 3.38 -0.58 -1.90 115.31 117.99 2ddr h LEU 172 Ca 0.05 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2ddr h LEU 172 Cb 0.93 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2ddr h LEU 172 CO 0.08 0.68 0.06 0.50 0.09 0.00 0.00 178.44 179.85 2ddr h LYS 173 N 0.76 0.81 -0.42 1.13 3.64 -0.88 -1.40 116.57 120.21 2ddr h LYS 173 Ca 0.17 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2ddr h LYS 173 Cb 0.22 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2ddr h LYS 173 CO -0.01 0.77 -0.08 0.93 -2.27 0.00 0.00 179.45 178.79 2ddr h GLU 174 N 0.76 0.73 -0.07 1.90 5.08 -0.74 0.05 114.58 122.29 2ddr h GLU 174 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2ddr h GLU 174 Cb 0.38 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ddr h GLU 174 CO 0.01 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.65 2ddr h ILE 175 N 0.67 1.22 -0.60 3.13 2.04 -0.79 -1.53 117.51 121.64 2ddr h ILE 175 Ca 0.12 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 2ddr h ILE 175 Cb 0.53 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2ddr h ILE 175 CO 0.03 0.18 0.35 -0.61 0.00 0.00 0.00 178.15 178.11 2ddr h GLN 176 N -0.13 0.83 -0.83 2.37 -0.00 -1.11 -1.53 115.11 114.71 2ddr h GLN 176 Ca 0.02 -0.08 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2ddr h GLN 176 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 27.48 27.55 2ddr h GLN 176 CO 0.00 0.61 0.54 -0.44 0.00 0.00 0.00 178.83 179.54 2ddr h ASP 177 N 0.82 0.91 -0.14 -0.69 3.45 -0.91 -1.31 116.42 118.55 2ddr h ASP 177 Ca 0.21 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 2ddr h ASP 177 Cb 0.00 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 2ddr h ASP 177 CO -0.04 0.65 0.06 0.15 -1.57 0.00 0.00 179.24 178.49 2ddr h PHE 178 N 1.08 0.21 -0.40 4.55 3.57 -0.83 -1.31 116.94 123.81 2ddr h PHE 178 Ca 0.32 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.85 2ddr h PHE 178 Cb -0.06 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2ddr h PHE 178 CO -0.02 0.27 0.16 0.82 -2.23 0.00 0.00 178.31 177.31 2ddr h ILE 179 N 0.09 0.91 -0.37 1.41 2.04 -0.93 -1.17 117.51 119.49 2ddr h ILE 179 Ca 0.05 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ddr h ILE 179 Cb 0.14 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2ddr h ILE 179 CO -0.01 0.06 0.22 0.50 0.00 0.00 0.00 178.15 178.92 2ddr h LYS 180 N 0.33 0.51 0.00 2.37 3.64 -1.14 -2.60 116.57 119.69 2ddr h LYS 180 Ca 0.18 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2ddr h LYS 180 Cb 0.14 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2ddr h LYS 180 CO -0.16 0.40 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.30 2ddr h ASN 181 N 0.48 0.00 1.02 4.20 -0.00 -0.89 -2.85 115.58 117.54 2ddr h ASN 181 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2ddr h ASN 181 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2ddr h ASN 181 CO -0.02 0.15 0.00 0.50 -0.00 0.00 0.00 177.43 178.05 2ddr h LYS 182 N 0.00 0.00 -5.89 6.67 1.63 -0.80 -3.47 116.57 114.70 2ddr h LYS 182 Ca -0.00 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.43 2ddr h LYS 182 Cb 0.34 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 32.08 2ddr h LYS 182 CO 0.02 0.00 -0.84 -1.71 -3.45 0.00 0.00 179.45 173.47 2ddr n ASN 183 N -3.04 -2.96 -4.75 4.20 4.05 -1.08 -4.96 115.26 106.73 2ddr n ASN 183 Ca 0.01 -0.78 -0.40 0.00 0.45 0.00 0.00 54.58 53.85 2ddr n ASN 183 Cb 0.30 -4.42 -0.06 0.00 1.23 0.00 0.00 39.78 36.84 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 -3.52 4.19 0.32 -1.44 1.01 -1.26 -4.98 121.20 115.51 2ddr s ILE 184 Ca 0.15 2.06 -0.27 0.00 0.00 0.00 0.00 60.65 62.59 2ddr s ILE 184 Cb -0.03 -4.31 -0.13 0.00 0.01 0.00 0.00 42.46 37.99 2ddr s ILE 184 CO 0.79 0.46 0.91 -2.65 0.00 0.00 0.00 174.94 174.45 2ddr n PRO 185 N 1.78 1.14 0.00 2.79 -0.02 -1.26 -4.84 135.00 134.59 2ddr n PRO 185 Ca -0.01 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 2ddr n PRO 185 Cb 0.48 -1.77 0.60 0.00 -0.02 0.00 0.00 33.50 32.78 2ddr n PRO 185 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ddr n ASN 186 N 1.16 0.00 -1.15 2.55 6.94 -1.26 -2.70 115.26 120.81 2ddr n ASN 186 Ca 0.10 -0.07 0.10 0.00 -0.02 0.00 0.00 54.58 54.69 2ddr n ASN 186 Cb 0.34 -0.27 0.26 0.00 -2.36 0.00 0.00 39.78 37.75 2ddr n ASN 186 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2ddr n ASN 187 N -1.27 3.62 -4.55 0.53 6.94 -1.26 -1.50 115.26 117.77 2ddr n ASN 187 Ca 0.11 -1.99 -0.30 0.00 -0.02 0.00 0.00 54.58 52.38 2ddr n ASN 187 Cb 0.18 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.11 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 -1.06 2.20 0.09 -3.83 2.02 -1.10 -4.62 118.70 112.40 2ddr s GLU 188 Ca 0.41 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 2ddr s GLU 188 Cb 0.22 -2.32 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 2ddr s GLU 188 CO 0.29 0.54 1.09 0.71 0.02 0.00 0.00 175.26 177.90 2ddr s TYR 189 N -1.10 3.59 -0.22 1.61 2.02 -1.26 -1.48 117.35 120.50 2ddr s TYR 189 Ca 0.19 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.45 2ddr s TYR 189 Cb -0.11 -3.26 0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2ddr s TYR 189 CO 0.10 -0.58 -0.07 0.08 -1.57 0.00 0.00 175.55 173.51 2ddr s VAL 190 N 0.51 1.62 -0.02 0.71 1.01 -1.26 -0.73 120.40 122.25 2ddr s VAL 190 Ca 0.53 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2ddr s VAL 190 Cb -0.27 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2ddr s VAL 190 CO 0.31 -0.01 -0.01 -0.76 0.00 0.00 0.00 175.10 174.63 2ddr s LEU 191 N 1.37 3.48 -0.15 3.92 1.43 0.73 -0.94 118.68 128.52 2ddr s LEU 191 Ca -0.05 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2ddr s LEU 191 Cb -0.18 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2ddr s LEU 191 CO -0.07 0.30 -0.15 -0.63 0.23 0.00 0.00 176.35 176.04 2ddr s ILE 192 N -1.02 1.62 0.07 -0.59 1.09 0.45 -0.50 121.20 122.32 2ddr s ILE 192 Ca 0.18 -0.67 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 2ddr s ILE 192 Cb -0.11 -1.51 -0.03 0.00 -1.06 0.00 0.00 42.46 39.75 2ddr s ILE 192 CO 0.08 0.47 0.03 -0.83 -0.10 0.00 0.00 174.94 174.58 2ddr s GLY 193 N 1.40 0.49 0.00 6.18 0.00 0.42 -1.00 107.32 114.82 2ddr s GLY 193 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2ddr s GLY 193 CO -0.10 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.38 2ddr n GLY 194 N 0.04 0.99 3.47 0.20 0.00 0.05 -0.96 105.19 108.97 2ddr n GLY 194 Ca -0.13 -1.92 -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 6.19 0.14 1.61 3.68 -1.14 -1.68 116.67 121.47 2ddr s ASP 195 Ca 0.00 -0.95 0.27 0.00 2.13 0.00 0.00 52.55 54.00 2ddr s ASP 195 Cb 0.00 -2.44 0.87 0.00 -1.45 0.00 0.00 42.92 39.90 2ddr s ASP 195 CO 0.00 -1.49 1.76 0.23 0.13 0.00 0.00 175.17 175.80 2ddr n MET 196 N 7.94 0.18 -2.18 4.34 2.81 -0.31 -1.57 117.12 128.34 2ddr n MET 196 Ca -0.02 0.14 -0.18 0.00 -1.81 0.00 0.00 57.70 55.83 2ddr n MET 196 Cb 0.46 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 2ddr n MET 196 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2ddr n ASN 197 N -2.01 -5.18 -4.22 7.83 3.02 -1.18 -4.54 115.26 108.98 2ddr n ASN 197 Ca 0.06 0.15 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 2ddr n ASN 197 Cb 0.40 -4.41 -0.14 0.00 -0.61 0.00 0.00 39.78 35.02 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 -2.82 3.01 -0.10 2.41 1.01 -1.26 -4.84 120.40 117.81 2ddr s VAL 198 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 2ddr s VAL 198 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2ddr s VAL 198 CO 0.00 0.20 0.95 0.21 0.00 0.00 0.00 175.10 176.46 2ddr s ASN 199 N 1.35 7.19 0.01 3.32 2.47 -1.25 -4.28 114.94 123.76 2ddr s ASN 199 Ca 0.01 1.46 0.07 0.00 0.42 0.00 0.00 52.86 54.82 2ddr s ASN 199 Cb -0.17 -2.53 -0.23 0.00 -1.45 0.00 0.00 41.25 36.87 2ddr s ASN 199 CO -0.04 -0.39 0.87 0.50 -3.72 0.00 0.00 177.10 174.32 2ddr h LYS 200 N 7.08 0.05 -6.27 0.43 3.64 -1.79 -3.41 116.57 116.30 2ddr h LYS 200 Ca -0.33 -0.09 -0.64 0.00 -1.27 0.00 0.00 60.65 58.32 2ddr h LYS 200 Cb 1.16 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2ddr h LYS 200 CO 0.83 0.78 1.00 -0.89 -2.27 0.00 0.00 179.45 178.90 2ddr n ILE 201 N -3.22 0.44 -2.79 2.00 5.41 -1.26 -1.66 119.36 118.27 2ddr n ILE 201 Ca -0.12 -0.08 -0.19 0.00 1.00 0.00 0.00 62.75 63.36 2ddr n ILE 201 Cb 1.02 -1.66 0.02 0.00 -0.71 0.00 0.00 39.64 38.31 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 5.85 -5.49 0.00 4.38 3.02 -1.26 -4.86 115.26 116.90 2ddr n ASN 202 Ca 0.23 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2ddr n ASN 202 Cb 0.25 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -2.99 0.25 0.37 5.41 0.00 -0.67 -4.86 120.51 118.02 2ddr n ALA 203 Ca -0.13 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.39 2ddr n ALA 203 Cb 0.62 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.04 0.00 5.08 -1.89 -3.03 114.58 114.70 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 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2ddr h GLU 204 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 2ddr n ASN 205 N -2.54 2.20 -4.25 1.42 3.02 -1.26 -4.86 115.26 108.99 2ddr n ASN 205 Ca 0.02 -1.60 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 2ddr n ASN 205 Cb 0.27 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.15 5.75 0.00 6.41 3.84 -1.15 -4.93 114.94 123.71 2ddr s ASN 206 Ca 0.17 -1.74 0.06 0.00 0.21 0.00 0.00 52.86 51.56 2ddr s ASN 206 Cb 0.12 -2.03 0.30 0.00 -0.55 0.00 0.00 41.25 39.09 2ddr s ASN 206 CO 0.17 -0.66 1.07 0.59 -2.79 0.00 0.00 177.10 175.49 2ddr n ASN 207 N 4.95 0.00 -0.85 -4.21 5.03 -1.26 -0.70 115.26 118.22 2ddr n ASN 207 Ca -0.09 0.26 0.10 0.00 0.87 0.00 0.00 54.58 55.71 2ddr n ASN 207 Cb 0.41 -0.33 0.12 0.00 -1.02 0.00 0.00 39.78 38.96 2ddr n ASN 207 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ddr n ASP 208 N -1.33 2.82 -4.79 6.41 9.92 -1.26 -4.67 116.55 123.65 2ddr n ASP 208 Ca 0.03 -1.85 -0.32 0.00 -0.53 0.00 0.00 54.79 52.12 2ddr n ASP 208 Cb 0.05 -0.07 0.05 0.00 -0.64 0.00 0.00 41.12 40.51 2ddr n ASP 208 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2ddr s SER 209 N -1.53 5.20 0.34 -2.24 1.04 0.12 -4.91 113.70 111.73 2ddr s SER 209 Ca 0.26 1.78 0.07 0.00 0.48 0.00 0.00 55.95 58.54 2ddr s SER 209 Cb 0.17 -2.52 0.63 0.00 0.10 0.00 0.00 66.02 64.40 2ddr s SER 209 CO 0.25 -1.57 1.84 -0.08 0.98 0.00 0.00 173.24 174.66 2ddr h GLU 210 N -0.45 0.33 -0.29 4.02 4.81 -1.92 -1.95 114.58 119.14 2ddr h GLU 210 Ca -0.45 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ddr h GLU 210 Cb 1.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2ddr h GLU 210 CO 0.55 0.50 0.18 -0.92 -0.73 0.00 0.00 179.01 178.59 2ddr h TYR 211 N 0.31 0.34 -0.36 0.92 3.20 -1.88 -1.08 116.97 118.41 2ddr h TYR 211 Ca 0.06 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2ddr h TYR 211 Cb 0.49 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2ddr h TYR 211 CO 0.01 0.21 -0.20 0.00 -1.64 0.00 0.00 178.16 176.54 2ddr h ALA 212 N 1.12 0.97 -0.00 1.82 0.00 -1.72 -2.96 119.26 118.49 2ddr h ALA 212 Ca 0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2ddr h ALA 212 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2ddr h ALA 212 CO -0.04 0.60 -0.36 0.77 0.00 0.00 0.00 179.25 180.22 2ddr h SER 213 N 0.62 0.00 -0.52 0.00 0.02 -0.95 -3.06 113.55 109.66 2ddr h SER 213 Ca 0.09 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2ddr h SER 213 Cb 0.67 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 2ddr h SER 213 CO 0.05 0.37 0.25 -0.03 -1.14 0.00 0.00 176.83 176.33 2ddr h MET 214 N 0.00 0.47 -0.31 3.45 -1.53 -1.03 0.11 114.93 116.09 2ddr h MET 214 Ca -0.00 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.13 2ddr h MET 214 Cb 0.64 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2ddr h MET 214 CO 0.05 0.31 -0.20 0.74 0.14 0.00 0.00 176.91 177.95 2ddr h PHE 215 N 0.49 0.65 -0.14 1.39 0.04 -1.64 -2.00 116.94 115.73 2ddr h PHE 215 Ca 0.24 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 2ddr h PHE 215 Cb 0.17 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2ddr h PHE 215 CO -0.11 0.75 -0.13 0.87 -0.60 0.00 0.00 178.31 179.09 2ddr h LYS 216 N 0.52 0.33 -0.87 1.51 1.57 -1.33 0.36 116.57 118.66 2ddr h LYS 216 Ca 0.08 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2ddr h LYS 216 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2ddr h LYS 216 CO 0.05 0.71 0.48 1.15 -0.57 0.00 0.00 179.45 181.27 2ddr h THR 217 N -0.04 1.25 -0.00 -0.16 2.02 -0.74 -2.38 112.91 112.86 2ddr h THR 217 Ca 0.02 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2ddr h THR 217 Cb 0.65 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2ddr h THR 217 CO 0.03 0.28 -0.44 0.18 0.37 0.00 0.00 175.52 175.94 2ddr n LEU 218 N -4.34 0.66 -3.72 2.58 4.77 -0.76 -4.74 117.00 111.46 2ddr n LEU 218 Ca 0.09 -0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 2ddr n LEU 218 Cb 0.09 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2ddr n LEU 218 CO 0.39 0.15 -0.02 0.59 -1.33 0.00 0.00 177.39 177.16 2ddr n ASN 219 N -1.26 -1.95 -4.65 -1.43 4.13 0.11 -4.74 115.26 105.48 2ddr n ASN 219 Ca 0.07 -0.80 -0.23 0.00 1.68 0.00 0.00 54.58 55.30 2ddr n ASN 219 Cb 0.34 -4.11 -0.07 0.00 -1.54 0.00 0.00 39.78 34.40 2ddr n ASN 219 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ddr s ALA 220 N -3.59 3.20 0.42 5.41 0.00 -0.16 -0.39 121.76 126.65 2ddr s ALA 220 Ca 0.13 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.34 2ddr s ALA 220 Cb -0.06 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2ddr s ALA 220 CO 0.81 0.19 0.64 -1.54 0.00 0.00 0.00 175.76 175.86 2ddr s SER 221 N -3.70 6.04 -0.19 0.00 1.04 -0.58 -4.72 113.70 111.58 2ddr s SER 221 Ca 0.33 0.41 -0.19 0.00 0.48 0.00 0.00 55.95 56.98 2ddr s SER 221 Cb -0.05 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 2ddr s SER 221 CO 0.20 -0.54 0.53 -0.69 0.98 0.00 0.00 173.24 173.72 2ddr s VAL 222 N -2.49 5.10 0.69 5.02 1.01 -1.26 -4.44 120.40 124.03 2ddr s VAL 222 Ca 0.45 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2ddr s VAL 222 Cb -0.10 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2ddr s VAL 222 CO 0.38 0.17 1.09 -2.16 0.00 0.00 0.00 175.10 174.58 2ddr s PRO 223 N 1.63 3.00 0.01 2.72 0.04 -1.26 -5.01 135.00 136.12 2ddr s PRO 223 Ca 0.25 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.50 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 0.10 -0.95 1.01 -1.12 0.04 0.00 0.00 177.00 176.08 2ddr s SER 224 N -4.33 7.33 -0.15 6.66 0.01 0.44 -4.86 113.70 118.80 2ddr s SER 224 Ca 0.58 1.71 -0.11 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 63.50 2ddr s SER 224 CO 0.52 -0.29 0.21 -0.31 0.41 0.00 0.00 173.24 173.78 2ddr s TYR 225 N 1.02 3.49 0.22 2.43 1.51 -1.26 -0.48 117.35 124.29 2ddr s TYR 225 Ca 0.53 0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 57.08 2ddr s TYR 225 Cb -0.22 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 2ddr s TYR 225 CO 0.28 0.40 0.21 0.95 -1.11 0.00 0.00 175.55 176.28 2ddr s THR 226 N -0.02 0.00 0.00 -0.71 -4.23 -0.77 -4.96 115.64 104.94 2ddr s THR 226 Ca 0.14 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2ddr s THR 226 Cb -0.12 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2ddr s THR 226 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2ddr n GLY 227 N -0.31 -0.77 3.72 3.99 0.00 -1.26 -1.89 105.19 108.67 2ddr n GLY 227 Ca 0.02 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 2.07 -2.25 1.61 5.65 -0.38 -4.81 115.29 117.18 2ddr s HIS 228 Ca 0.00 1.62 0.26 0.00 0.25 0.00 0.00 55.06 57.19 2ddr s HIS 228 Cb 0.00 -3.41 1.22 0.00 -1.18 0.00 0.00 32.58 29.21 2ddr s HIS 228 CO 0.00 -2.52 1.83 0.25 -0.65 0.00 0.00 174.74 173.65 2ddr n THR 229 N -2.93 0.04 -3.74 0.89 -2.24 -1.26 -4.53 114.28 100.52 2ddr n THR 229 Ca 0.13 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2ddr n THR 229 Cb 0.51 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.96 -0.86 -0.03 6.98 0.00 -1.26 -4.73 121.76 119.90 2ddr s ALA 230 Ca 0.38 0.36 0.17 0.00 0.00 0.00 0.00 51.96 52.88 2ddr s ALA 230 Cb 0.19 0.11 -0.27 0.00 0.00 0.00 0.00 23.12 23.16 2ddr s ALA 230 CO 0.31 -0.29 0.36 0.25 0.00 0.00 0.00 175.76 176.39 2ddr n THR 231 N 1.13 0.09 -3.81 0.00 -2.24 -0.20 -4.75 114.28 104.49 2ddr n THR 231 Ca -0.21 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 60.85 2ddr n THR 231 Cb 0.57 0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.15 2.17 -0.29 4.78 -0.00 -0.66 0.24 118.94 122.02 2ddr s TRP 232 Ca -0.07 -1.96 -0.01 0.00 -0.00 0.00 0.00 56.10 54.06 2ddr s TRP 232 Cb 0.11 -1.92 0.09 0.00 -0.00 0.00 0.00 33.47 31.75 2ddr s TRP 232 CO 0.72 -0.87 0.09 0.34 -0.00 0.00 0.00 176.95 177.23 2ddr s ASP 233 N 1.46 3.82 0.00 5.86 2.15 -1.26 -0.59 116.67 128.11 2ddr s ASP 233 Ca 0.08 -1.48 0.12 0.00 0.43 0.00 0.00 52.55 51.70 2ddr s ASP 233 Cb -0.18 -0.79 0.52 0.00 -0.30 0.00 0.00 42.92 42.17 2ddr s ASP 233 CO -0.19 -0.40 1.35 0.00 -0.17 0.00 0.00 175.17 175.77 2ddr n ALA 234 N 4.91 1.57 1.10 3.66 0.00 -1.26 -0.65 120.51 129.83 2ddr n ALA 234 Ca -0.04 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2ddr n ALA 234 Cb 0.43 -1.19 0.39 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.45 0.00 0.00 0.00 -2.24 -1.26 -4.11 114.28 105.22 2ddr n THR 235 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2ddr n THR 235 Cb 0.13 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.29 0.00 -3.56 4.28 -2.24 -0.95 -5.07 114.28 105.45 2ddr n THR 236 Ca 0.08 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 2ddr n THR 236 Cb 0.33 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.08 6.20 0.39 3.42 3.84 0.18 -4.99 114.94 123.89 2ddr s ASN 237 Ca 0.00 0.22 0.08 0.00 0.21 0.00 0.00 52.86 53.36 2ddr s ASN 237 Cb 0.00 -2.15 0.78 0.00 -0.55 0.00 0.00 41.25 39.33 2ddr s ASN 237 CO 0.00 -0.01 1.95 0.77 -2.79 0.00 0.00 177.10 177.02 2ddr h SER 238 N 7.64 0.34 0.02 -4.21 4.64 -1.90 -0.73 113.55 119.35 2ddr h SER 238 Ca -0.37 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 2ddr h SER 238 Cb 1.17 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2ddr h SER 238 CO 0.66 0.40 -0.34 0.40 -0.87 0.00 0.00 176.83 177.08 2ddr h ILE 239 N 0.37 1.55 -0.64 0.95 2.04 -1.93 -2.84 117.51 117.01 2ddr h ILE 239 Ca 0.08 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.85 2ddr h ILE 239 Cb 0.24 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 2ddr h ILE 239 CO 0.01 0.57 0.34 0.00 0.00 0.00 0.00 178.15 179.07 2ddr h ALA 240 N 0.22 1.39 -0.57 1.87 0.00 -1.78 -1.83 119.26 118.56 2ddr h ALA 240 Ca -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2ddr h ALA 240 Cb 1.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2ddr h ALA 240 CO 0.07 0.49 0.26 -0.22 0.00 0.00 0.00 179.25 179.85 2ddr h LYS 241 N 0.89 0.81 -0.14 0.00 3.64 -1.17 0.74 116.57 121.34 2ddr h LYS 241 Ca 0.23 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2ddr h LYS 241 Cb 0.04 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2ddr h LYS 241 CO -0.04 0.65 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.78 2ddr h TYR 242 N 0.81 0.37 -0.12 1.91 3.20 -1.09 -2.10 116.97 119.94 2ddr h TYR 242 Ca 0.20 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2ddr h TYR 242 Cb 0.11 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2ddr h TYR 242 CO 0.01 0.66 -0.25 -0.91 -1.64 0.00 0.00 178.16 176.03 2ddr h ASN 243 N -0.03 0.43 -1.91 -2.11 -0.26 -1.20 -3.40 115.58 107.09 2ddr h ASN 243 Ca 0.03 -0.56 -0.54 0.00 -0.56 0.00 0.00 56.30 54.67 2ddr h ASN 243 Cb 0.57 -0.12 -0.38 0.00 -1.06 0.00 0.00 38.32 37.33 2ddr h ASN 243 CO 0.02 0.91 -1.07 0.49 -1.06 0.00 0.00 177.43 176.73 2ddr n PHE 244 N -4.46 -0.57 0.04 1.19 3.01 0.23 -4.99 117.46 111.90 2ddr n PHE 244 Ca -0.07 -3.44 0.20 0.00 1.01 0.00 0.00 57.45 55.15 2ddr n PHE 244 Cb 0.44 -0.21 0.72 0.00 -0.01 0.00 0.00 39.48 40.42 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 4.08 0.00 -0.53 -1.08 0.13 -1.49 -2.40 132.00 130.71 2ddr h PRO 245 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2ddr h PRO 245 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2ddr h PRO 245 CO 0.45 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 2ddr n ASP 246 N -4.19 3.89 -4.73 1.44 8.00 -1.26 -4.83 116.55 114.86 2ddr n ASP 246 Ca 0.08 -2.25 -0.39 0.00 0.71 0.00 0.00 54.79 52.94 2ddr n ASP 246 Cb 0.58 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.07 6.94 0.51 -2.24 0.01 -0.90 -5.03 113.70 111.91 2ddr s SER 247 Ca 0.41 1.13 -0.23 0.00 1.31 0.00 0.00 55.95 58.57 2ddr s SER 247 Cb 0.25 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 64.03 2ddr s SER 247 CO 0.22 -0.04 1.39 -2.65 0.41 0.00 0.00 173.24 172.57 2ddr n PRO 248 N 3.50 1.92 -1.72 12.44 -0.02 -1.26 -4.49 135.00 145.36 2ddr n PRO 248 Ca -0.03 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 2ddr n PRO 248 Cb 0.51 -2.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2ddr n PRO 248 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddr n ALA 249 N -0.72 1.37 -2.43 3.55 0.00 -1.26 -4.86 120.51 116.15 2ddr n ALA 249 Ca 0.08 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 2ddr n ALA 249 Cb 0.43 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 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 -2.83 1.07 -0.35 0.00 2.02 0.24 -4.98 118.70 113.87 2ddr s GLU 250 Ca 0.72 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2ddr s GLU 250 Cb -0.42 -0.88 0.09 0.00 0.10 0.00 0.00 34.13 33.02 2ddr s GLU 250 CO 0.49 0.16 0.07 -0.47 0.02 0.00 0.00 175.26 175.53 2ddr s TYR 251 N -2.46 3.60 0.00 1.61 5.04 -1.26 -1.03 117.35 122.85 2ddr s TYR 251 Ca 0.12 -2.63 0.00 0.00 -2.44 0.00 0.00 57.07 52.12 2ddr s TYR 251 Cb -0.03 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.46 2ddr s TYR 251 CO 0.03 -0.93 0.00 1.28 -1.34 0.00 0.00 175.55 174.59 2ddr n LEU 252 N 4.42 0.00 -4.65 6.97 4.77 -1.26 -1.93 117.00 125.32 2ddr n LEU 252 Ca -0.02 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 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 0.26 0.00 -0.28 -1.81 -1.33 0.00 0.00 177.39 174.23 2ddr s ASP 253 N -0.94 5.42 0.11 -1.43 1.01 -1.26 -1.16 116.67 118.43 2ddr s ASP 253 Ca 0.00 0.11 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 2ddr s ASP 253 Cb 0.00 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.14 2ddr s ASP 253 CO 0.00 0.27 0.13 -0.31 0.21 0.00 0.00 175.17 175.47 2ddr s TYR 254 N -0.21 0.49 -0.25 4.23 1.51 -0.68 -4.98 117.35 117.46 2ddr s TYR 254 Ca 0.06 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.18 2ddr s TYR 254 Cb -0.12 -0.24 0.10 0.00 -0.11 0.00 0.00 41.96 41.59 2ddr s TYR 254 CO 0.02 -0.55 0.20 0.42 -1.11 0.00 0.00 175.55 174.52 2ddr s ILE 255 N -3.95 -0.24 0.21 2.71 1.01 -1.26 -0.77 121.20 118.91 2ddr s ILE 255 Ca 0.14 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.45 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 -0.04 -0.45 -0.16 0.27 0.00 0.00 0.00 174.94 174.55 2ddr s ILE 256 N 2.24 1.90 -0.04 2.92 -4.36 -0.17 -4.88 121.20 118.81 2ddr s ILE 256 Ca 0.08 -2.18 -0.02 0.00 -0.26 0.00 0.00 60.65 58.26 2ddr s ILE 256 Cb -0.15 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 2ddr s ILE 256 CO -0.25 -0.49 0.09 0.00 0.24 0.00 0.00 174.94 174.52 2ddr s ALA 257 N -2.67 3.62 0.08 2.27 0.00 -1.26 -0.41 121.76 123.39 2ddr s ALA 257 Ca 0.22 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2ddr s ALA 257 Cb -0.03 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 2ddr s ALA 257 CO 0.08 0.66 1.14 0.45 0.00 0.00 0.00 175.76 178.10 2ddr s SER 258 N -1.46 7.17 0.20 0.00 0.15 -0.12 -1.53 113.70 118.10 2ddr s SER 258 Ca 0.20 1.98 0.25 0.00 0.70 0.00 0.00 55.95 59.08 2ddr s SER 258 Cb -0.12 -2.58 0.90 0.00 -1.71 0.00 0.00 66.02 62.51 2ddr s SER 258 CO 0.10 -0.38 1.75 0.29 1.20 0.00 0.00 173.24 176.21 2ddr n LYS 259 N 3.53 0.20 -0.01 5.44 5.02 0.47 -2.87 118.16 129.94 2ddr n LYS 259 Ca 0.07 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 2ddr n LYS 259 Cb 0.47 -1.78 0.63 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.14 0.35 0.00 4.39 8.00 -1.26 -4.84 116.55 121.05 2ddr n ASP 260 Ca 0.04 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.19 2ddr n ASP 260 Cb 0.34 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.61 0.00 -1.65 1.24 8.25 -1.14 -4.67 115.22 116.64 2ddr n HIS 261 Ca 0.17 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 2ddr n HIS 261 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 1.47 -2.59 -1.41 0.00 -0.55 -4.85 120.51 109.58 2ddr n ALA 262 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2ddr n ALA 262 Cb 0.00 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 16.70 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 5.20 6.51 0.30 0.00 -0.87 -1.26 -4.63 114.94 120.20 2ddr s ASN 263 Ca 0.93 0.36 -0.29 0.00 -1.57 0.00 0.00 52.86 52.29 2ddr s ASN 263 Cb -0.48 -2.35 -0.11 0.00 -0.02 0.00 0.00 41.25 38.29 2ddr s ASN 263 CO 0.43 -0.58 1.50 -2.84 -2.57 0.00 0.00 177.10 173.04 2ddr s PRO 264 N 2.78 4.18 0.47 -0.60 0.02 -1.26 -4.87 135.00 135.71 2ddr s PRO 264 Ca 0.27 2.47 0.24 0.00 0.02 0.00 0.00 61.00 64.00 2ddr s PRO 264 Cb -0.14 -3.04 1.14 0.00 0.02 0.00 0.00 34.50 32.48 2ddr s PRO 264 CO 0.14 -0.51 1.94 0.66 -0.33 0.00 0.00 177.00 178.89 2ddr h SER 265 N 4.37 0.00 -3.21 2.53 4.64 -1.96 -3.42 113.55 116.49 2ddr h SER 265 Ca -0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.77 2ddr h SER 265 Cb 1.22 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.07 2ddr h SER 265 CO 0.74 0.20 -0.17 -0.47 -0.87 0.00 0.00 176.83 176.26 2ddr s TYR 266 N -3.95 -0.75 -0.08 4.77 5.04 -1.26 -5.03 117.35 116.08 2ddr s TYR 266 Ca -0.01 1.58 -0.03 0.00 -2.44 0.00 0.00 57.07 56.16 2ddr s TYR 266 Cb 0.12 0.38 0.04 0.00 0.35 0.00 0.00 41.96 42.86 2ddr s TYR 266 CO 0.62 -0.40 0.15 -1.50 -1.34 0.00 0.00 175.55 173.08 2ddr s ILE 267 N 1.38 -0.22 0.04 3.14 2.07 -1.26 -0.87 121.20 125.48 2ddr s ILE 267 Ca -0.09 0.35 0.06 0.00 -1.41 0.00 0.00 60.65 59.56 2ddr s ILE 267 Cb -0.07 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 2ddr s ILE 267 CO -0.14 0.14 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.21 2ddr s GLU 268 N 2.16 2.24 -0.26 3.50 2.12 -0.28 -0.42 118.70 127.75 2ddr s GLU 268 Ca 0.02 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.46 2ddr s GLU 268 Cb -0.12 -2.32 0.07 0.00 0.26 0.00 0.00 34.13 32.02 2ddr s GLU 268 CO -0.05 0.55 -0.04 -0.80 -0.54 0.00 0.00 175.26 174.38 2ddr s ASN 269 N -1.62 4.15 -0.21 -1.70 0.02 0.37 -1.86 114.94 114.09 2ddr s ASN 269 Ca 0.17 -1.43 -0.06 0.00 -1.02 0.00 0.00 52.86 50.52 2ddr s ASN 269 Cb -0.11 -1.31 -0.03 0.00 0.02 0.00 0.00 41.25 39.83 2ddr s ASN 269 CO 0.08 -0.27 0.02 -0.75 0.02 0.00 0.00 177.10 176.20 2ddr s LYS 270 N 1.27 3.63 -0.27 -0.60 2.20 0.45 -1.85 119.74 124.57 2ddr s LYS 270 Ca -0.02 -0.50 -0.21 0.00 -0.36 0.00 0.00 55.97 54.87 2ddr s LYS 270 Cb -0.19 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2ddr s LYS 270 CO -0.08 -0.04 0.66 0.08 -0.36 0.00 0.00 175.35 175.61 2ddr s VAL 271 N 1.15 4.95 0.32 4.02 1.01 -0.79 -0.31 120.40 130.75 2ddr s VAL 271 Ca 0.03 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 2ddr s VAL 271 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2ddr s VAL 271 CO 0.02 -0.04 0.53 -0.76 0.00 0.00 0.00 175.10 174.85 2ddr s LEU 272 N 2.59 4.05 -0.48 3.92 1.43 -0.76 -1.25 118.68 128.18 2ddr s LEU 272 Ca 0.27 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.92 2ddr s LEU 272 Cb -0.15 -3.31 0.31 0.00 0.03 0.00 0.00 46.19 43.07 2ddr s LEU 272 CO 0.09 -0.25 0.76 0.00 0.23 0.00 0.00 176.35 177.18 2ddr n GLN 273 N -1.57 1.85 -2.54 1.70 6.02 -1.26 -4.16 117.38 117.41 2ddr n GLN 273 Ca -0.05 -4.01 -0.41 0.00 -0.01 0.00 0.00 57.00 52.53 2ddr n GLN 273 Cb 0.56 -1.86 -0.04 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.51 4.61 -0.10 -1.09 0.04 -1.26 -5.03 135.00 129.66 2ddr s PRO 274 Ca 0.42 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 2ddr s PRO 274 Cb 0.26 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2ddr s PRO 274 CO -0.09 0.10 0.04 0.15 0.04 0.00 0.00 177.00 177.24 2ddr s LYS 275 N -0.34 3.12 0.50 4.56 -0.14 -1.26 -4.64 119.74 121.54 2ddr s LYS 275 Ca 0.49 -0.33 -0.01 0.00 -1.36 0.00 0.00 55.97 54.76 2ddr s LYS 275 Cb -0.29 -2.91 0.01 0.00 -1.68 0.00 0.00 37.83 32.96 2ddr s LYS 275 CO 0.34 0.72 0.74 -1.54 -0.76 0.00 0.00 175.35 174.86 2ddr s SER 276 N -0.91 5.69 0.75 2.83 1.04 0.47 -4.98 113.70 118.59 2ddr s SER 276 Ca 0.14 0.35 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 2ddr s SER 276 Cb -0.12 -1.48 0.05 0.00 0.10 0.00 0.00 66.02 64.58 2ddr s SER 276 CO 0.03 -0.86 1.15 -2.84 0.98 0.00 0.00 173.24 171.70 2ddr s PRO 277 N -4.70 2.10 0.31 4.02 0.02 -1.26 -4.60 135.00 130.90 2ddr s PRO 277 Ca 0.51 1.54 -0.29 0.00 0.02 0.00 0.00 61.00 62.78 2ddr s PRO 277 Cb -0.10 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 2ddr s PRO 277 CO 0.40 -1.82 1.42 -0.65 -0.33 0.00 0.00 177.00 176.03 2ddr s GLN 278 N -4.25 4.24 0.05 5.54 -0.21 -1.26 -4.68 119.66 119.09 2ddr s GLN 278 Ca 0.69 2.37 0.03 0.00 0.02 0.00 0.00 55.36 58.47 2ddr s GLN 278 Cb -0.24 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 2ddr s GLN 278 CO 0.48 -0.39 -0.11 1.67 -2.12 0.00 0.00 175.29 174.83 2ddr s TRP 279 N -0.65 0.91 0.06 0.91 1.48 -0.62 -4.99 118.94 116.03 2ddr s TRP 279 Ca 0.55 -0.47 0.07 0.00 -1.06 0.00 0.00 56.10 55.18 2ddr s TRP 279 Cb -0.43 -0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 31.33 2ddr s TRP 279 CO 0.52 -0.02 -0.19 0.99 -4.06 0.00 0.00 176.95 174.19 2ddr s THR 280 N -1.29 1.51 0.10 0.66 2.01 -1.26 -1.30 115.64 116.07 2ddr s THR 280 Ca -0.06 -1.26 0.02 0.00 0.31 0.00 0.00 61.69 60.70 2ddr s THR 280 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2ddr s THR 280 CO 0.01 0.05 -0.07 0.68 -0.69 0.00 0.00 174.62 174.60 2ddr s VAL 281 N -0.95 0.75 -0.06 3.82 -7.23 -0.06 -4.97 120.40 111.70 2ddr s VAL 281 Ca 0.05 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 2ddr s VAL 281 Cb -0.09 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 2ddr s VAL 281 CO 0.02 -0.81 -0.22 -0.89 -0.31 0.00 0.00 175.10 172.89 2ddr s THR 282 N -3.37 1.84 -0.14 5.32 2.01 -1.26 -0.80 115.64 119.23 2ddr s THR 282 Ca 0.11 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 2ddr s THR 282 Cb 0.03 -1.57 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2ddr s THR 282 CO -0.04 0.52 0.34 -0.44 -0.69 0.00 0.00 174.62 174.31 2ddr s SER 283 N -0.01 -0.40 -1.30 3.53 0.01 -0.10 -4.84 113.70 110.61 2ddr s SER 283 Ca -0.06 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.91 2ddr s SER 283 Cb -0.14 0.62 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2ddr s SER 283 CO 0.04 -0.18 0.85 0.79 0.41 0.00 0.00 173.24 175.14 2ddr n TRP 284 N 4.27 -2.09 -1.05 2.43 8.01 -1.26 -1.12 117.44 126.63 2ddr n TRP 284 Ca -0.24 0.89 -0.03 0.00 -1.31 0.00 0.00 57.50 56.81 2ddr n TRP 284 Cb 0.54 -4.62 -0.01 0.00 -2.01 0.00 0.00 31.31 25.21 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 -4.31 -0.01 -4.98 -5.99 3.01 -1.26 -4.94 117.46 98.98 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 0.66 -2.15 -0.14 0.00 -0.01 0.00 0.00 39.48 37.84 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 -2.17 2.54 -0.06 -1.08 -0.21 -0.28 -5.12 119.66 113.28 2ddr s GLN 286 Ca 0.00 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.47 2ddr s GLN 286 Cb 0.00 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 2ddr s GLN 286 CO 0.00 0.55 0.42 0.21 -2.12 0.00 0.00 175.29 174.35 2ddr s LYS 287 N -0.54 4.11 -0.04 2.91 2.20 -1.26 -0.92 119.74 126.19 2ddr s LYS 287 Ca 0.07 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2ddr s LYS 287 Cb -0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2ddr s LYS 287 CO 0.01 0.46 -0.13 0.71 -0.36 0.00 0.00 175.35 176.04 2ddr s TYR 288 N -0.33 1.36 -0.04 4.03 2.02 0.02 -5.00 117.35 119.41 2ddr s TYR 288 Ca 0.24 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2ddr s TYR 288 Cb -0.16 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2ddr s TYR 288 CO 0.11 -0.16 -0.23 0.99 -1.57 0.00 0.00 175.55 174.70 2ddr s THR 289 N 0.21 1.87 0.18 -0.71 2.01 -1.26 -0.88 115.64 117.05 2ddr s THR 289 Ca -0.05 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.01 2ddr s THR 289 Cb -0.11 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 2ddr s THR 289 CO 0.02 0.52 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.11 2ddr s TYR 290 N -0.22 1.38 -0.06 4.92 1.51 -0.42 -4.98 117.35 119.48 2ddr s TYR 290 Ca -0.00 -0.86 0.23 0.00 -1.01 0.00 0.00 57.07 55.42 2ddr s TYR 290 Cb -0.12 -0.75 0.43 0.00 -0.11 0.00 0.00 41.96 41.41 2ddr s TYR 290 CO 0.02 -0.00 1.18 0.27 -1.11 0.00 0.00 175.55 175.91 2ddr n ASN 291 N -0.29 1.21 -4.28 2.29 6.94 -1.26 -1.59 115.26 118.28 2ddr n ASN 291 Ca -0.08 -2.42 -0.25 0.00 -0.02 0.00 0.00 54.58 51.82 2ddr n ASN 291 Cb 0.62 -0.35 -0.13 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 -2.34 2.56 0.25 0.53 1.01 -1.26 -0.40 116.67 117.02 2ddr s ASP 292 Ca 0.35 -0.62 0.13 0.00 0.71 0.00 0.00 52.55 53.12 2ddr s ASP 292 Cb 0.38 -0.17 0.11 0.00 1.01 0.00 0.00 42.92 44.26 2ddr s ASP 292 CO -0.14 0.11 1.46 1.88 0.21 0.00 0.00 175.17 178.68 2ddr h TYR 293 N 4.38 0.00 -2.63 4.23 -1.99 -1.92 -3.45 116.97 115.59 2ddr h TYR 293 Ca -0.45 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.41 2ddr h TYR 293 Cb 1.17 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.84 2ddr h TYR 293 CO 0.57 0.61 0.38 0.45 -0.00 0.00 0.00 178.16 180.18 2ddr s SER 294 N -6.54 -0.19 0.09 3.88 0.15 -1.26 -4.84 113.70 104.99 2ddr s SER 294 Ca 0.02 -0.54 0.28 0.00 0.70 0.00 0.00 55.95 56.41 2ddr s SER 294 Cb 0.09 0.60 1.02 0.00 -1.71 0.00 0.00 66.02 66.02 2ddr s SER 294 CO 0.75 -1.12 1.83 -0.90 1.20 0.00 0.00 173.24 175.01 2ddr n ASP 295 N -0.56 0.36 -4.73 5.45 5.75 -1.26 -4.74 116.55 116.82 2ddr n ASP 295 Ca -0.05 0.49 -0.29 0.00 -0.01 0.00 0.00 54.79 54.93 2ddr n ASP 295 Cb 0.60 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 40.05 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 3.08 0.15 2.11 3.76 -1.26 -4.32 115.29 115.76 2ddr s HIS 296 Ca 0.12 0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.01 2ddr s HIS 296 Cb 0.16 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 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 -1.43 3.48 0.46 1.40 4.12 0.14 -4.85 117.35 120.67 2ddr s TYR 297 Ca 0.28 0.47 -0.17 0.00 0.02 0.00 0.00 57.07 57.66 2ddr s TYR 297 Cb -0.11 -1.94 -0.09 0.00 -1.52 0.00 0.00 41.96 38.30 2ddr s TYR 297 CO 0.20 0.44 0.93 -1.25 0.02 0.00 0.00 175.55 175.90 2ddr s PRO 298 N -2.79 4.03 -0.18 -1.71 0.04 -1.26 -4.75 135.00 128.38 2ddr s PRO 298 Ca 0.40 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 2ddr s PRO 298 Cb -0.12 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 2ddr s PRO 298 CO 0.26 -0.13 -0.10 0.08 0.04 0.00 0.00 177.00 177.15 2ddr s VAL 299 N -2.39 3.00 -0.26 -0.36 1.01 -0.53 -1.84 120.40 119.03 2ddr s VAL 299 Ca 0.59 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2ddr s VAL 299 Cb -0.10 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2ddr s VAL 299 CO 0.24 0.48 0.12 -0.70 0.00 0.00 0.00 175.10 175.24 2ddr s GLU 300 N 1.10 3.78 -0.11 2.72 2.12 0.58 -1.55 118.70 127.33 2ddr s GLU 300 Ca 0.00 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 2ddr s GLU 300 Cb -0.15 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 2ddr s GLU 300 CO -0.02 -0.19 0.01 0.00 -0.54 0.00 0.00 175.26 174.52 2ddr s ALA 301 N 1.68 3.31 -0.18 6.30 0.00 0.14 -0.41 121.76 132.59 2ddr s ALA 301 Ca 0.07 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2ddr s ALA 301 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2ddr s ALA 301 CO 0.07 0.50 -0.20 0.99 0.00 0.00 0.00 175.76 177.12 2ddr s THR 302 N -0.60 2.07 -0.17 0.00 2.01 -0.78 -1.68 115.64 116.50 2ddr s THR 302 Ca 0.10 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2ddr s THR 302 Cb -0.12 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.53 2ddr s THR 302 CO 0.02 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.70 2ddr s ILE 303 N 1.29 2.48 -0.13 1.82 1.09 0.08 -1.12 121.20 126.70 2ddr s ILE 303 Ca 0.05 -0.81 -0.27 0.00 -1.10 0.00 0.00 60.65 58.52 2ddr s ILE 303 Cb -0.13 -2.06 -0.02 0.00 -1.06 0.00 0.00 42.46 39.20 2ddr s ILE 303 CO -0.13 0.51 0.87 -0.55 -0.10 0.00 0.00 174.94 175.55 2ddr s SER 304 N 1.11 7.06 0.00 3.58 0.15 -0.05 -0.94 113.70 124.61 2ddr s SER 304 Ca 0.00 1.30 0.09 0.00 0.70 0.00 0.00 55.95 58.05 2ddr s SER 304 Cb -0.14 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 2ddr s SER 304 CO -0.06 -0.38 0.80 0.23 1.20 0.00 0.00 173.24 175.03