#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddr s ALA 2 N 0.00 0.06 0.25 3.55 0.00 -1.26 -5.07 121.76 119.29 3ddr s ALA 2 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 3ddr s ALA 2 Cb 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 23.12 22.36 3ddr s ALA 2 CO 0.00 -0.44 1.05 0.34 0.00 0.00 0.00 175.76 176.71 3ddr n PHE 3 N 5.08 1.24 -2.91 0.00 -0.00 -1.23 -4.29 117.46 115.36 3ddr n PHE 3 Ca -0.08 0.70 0.00 0.00 -0.00 0.00 0.00 57.45 58.06 3ddr n PHE 3 Cb 0.50 -2.25 0.00 0.00 -0.00 0.00 0.00 39.48 37.73 3ddr n PHE 3 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ddr n SER 4 N 1.53 0.00 0.00 -2.13 3.41 -0.89 -4.94 113.62 110.61 3ddr n SER 4 Ca 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3ddr n SER 4 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ddr n SER 4 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3ddr n VAL 5 N 0.00 0.00 -4.19 -3.33 3.14 -1.26 -3.87 118.33 108.81 3ddr n VAL 5 Ca 0.00 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.14 3ddr n VAL 5 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3ddr n VAL 5 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3ddr s ASN 6 N 0.00 5.03 0.19 6.55 2.47 -0.87 -4.92 114.94 123.39 3ddr s ASN 6 Ca 0.00 -0.40 -0.23 0.00 0.42 0.00 0.00 52.86 52.64 3ddr s ASN 6 Cb 0.00 -1.14 0.07 0.00 -1.45 0.00 0.00 41.25 38.73 3ddr s ASN 6 CO 0.00 0.01 0.97 -0.72 -3.72 0.00 0.00 177.10 173.64 3ddr s TYR 7 N -2.08 -0.04 0.22 0.43 1.13 -1.26 -1.75 117.35 114.00 3ddr s TYR 7 Ca 0.31 -0.33 -0.10 0.00 -1.41 0.00 0.00 57.07 55.54 3ddr s TYR 7 Cb -0.08 0.68 -0.07 0.00 -1.10 0.00 0.00 41.96 41.39 3ddr s TYR 7 CO 0.22 -0.93 0.54 0.34 -2.51 0.00 0.00 175.55 173.20 3ddr s ASP 8 N -3.11 6.63 0.00 -0.18 3.68 -1.18 -4.97 116.67 117.54 3ddr s ASP 8 Ca 0.16 0.91 0.03 0.00 2.13 0.00 0.00 52.55 55.78 3ddr s ASP 8 Cb -0.02 -2.22 0.14 0.00 -1.45 0.00 0.00 42.92 39.37 3ddr s ASP 8 CO 0.04 -0.06 1.10 -1.54 0.13 0.00 0.00 175.17 174.84 3ddr n SER 9 N -0.08 0.00 -0.15 -0.34 3.41 -1.26 -0.59 113.62 114.61 3ddr n SER 9 Ca 0.00 0.49 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 3ddr n SER 9 Cb 0.52 -0.49 0.64 0.00 -0.26 0.00 0.00 64.21 64.62 3ddr n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ddr n SER 10 N -1.49 0.56 0.00 4.04 3.41 -1.26 -3.93 113.62 114.95 3ddr n SER 10 Ca 0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3ddr n SER 10 Cb 0.04 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3ddr n SER 10 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ddr n PHE 11 N -0.80 0.00 -0.35 7.33 3.01 0.24 -4.51 117.46 122.37 3ddr n PHE 11 Ca 0.16 -0.18 0.01 0.00 1.01 0.00 0.00 57.45 58.46 3ddr n PHE 11 Cb 0.27 -0.02 0.15 0.00 -0.01 0.00 0.00 39.48 39.87 3ddr n PHE 11 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3ddr h GLY 12 N 0.00 1.42 0.70 1.37 0.00 -1.68 -3.06 103.07 101.82 3ddr h GLY 12 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3ddr h GLY 12 CO 0.00 0.35 -0.05 -1.33 0.00 0.00 0.00 176.54 175.51 3ddr h GLY 13 N 1.15 0.23 -3.78 4.60 0.00 -1.85 -2.87 103.07 100.55 3ddr h GLY 13 Ca 0.40 -0.20 -0.58 0.00 0.00 0.00 0.00 47.33 46.94 3ddr h GLY 13 CO -0.15 0.19 0.17 -1.72 0.00 0.00 0.00 176.54 175.02 3ddr n TYR 14 N -4.73 1.21 -2.67 5.60 4.01 -1.16 -4.80 117.16 114.62 3ddr n TYR 14 Ca -0.06 0.56 -0.32 0.00 -0.16 0.00 0.00 57.90 57.92 3ddr n TYR 14 Cb 0.27 -2.23 -0.04 0.00 -0.31 0.00 0.00 39.34 37.02 3ddr n TYR 14 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ddr s SER 15 N -0.73 6.68 0.22 7.72 1.04 -1.26 -2.68 113.70 124.70 3ddr s SER 15 Ca 0.63 1.46 -0.07 0.00 0.48 0.00 0.00 55.95 58.45 3ddr s SER 15 Cb -0.56 -2.46 0.31 0.00 0.10 0.00 0.00 66.02 63.41 3ddr s SER 15 CO 0.57 -0.46 1.78 0.40 0.98 0.00 0.00 173.24 176.52 3ddr h ILE 16 N 1.27 0.87 -0.76 -1.02 2.04 -0.45 -0.36 117.51 119.10 3ddr h ILE 16 Ca -0.47 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3ddr h ILE 16 Cb 1.18 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3ddr h ILE 16 CO 0.62 0.11 0.50 -0.74 0.00 0.00 0.00 178.15 178.65 3ddr h HIS 17 N 0.62 0.95 -0.94 1.37 2.76 -0.90 -2.47 115.15 116.54 3ddr h HIS 17 Ca 0.34 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 3ddr h HIS 17 Cb 0.33 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.92 3ddr h HIS 17 CO -0.10 0.58 0.58 -0.44 -1.30 0.00 0.00 177.93 177.25 3ddr h ASP 18 N 1.01 1.11 0.68 3.26 3.32 -1.35 -2.27 116.42 122.19 3ddr h ASP 18 Ca 0.29 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3ddr h ASP 18 Cb -0.09 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.19 3ddr h ASP 18 CO -0.07 0.84 -0.32 0.22 -1.72 0.00 0.00 179.24 178.18 3ddr h TYR 19 N 1.29 -0.84 -0.72 4.55 3.20 -0.94 -2.73 116.97 120.78 3ddr h TYR 19 Ca 0.34 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.35 3ddr h TYR 19 Cb -0.08 0.28 -0.12 0.00 1.54 0.00 0.00 36.73 38.35 3ddr h TYR 19 CO 0.00 -0.52 0.07 -0.07 -1.64 0.00 0.00 178.16 176.00 3ddr h LEU 20 N -1.14 -0.20 -0.23 2.82 3.38 -1.43 -0.08 115.31 118.43 3ddr h LEU 20 Ca -0.09 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3ddr h LEU 20 Cb 0.70 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3ddr h LEU 20 CO 0.15 -0.12 -0.00 1.23 0.09 0.00 0.00 178.44 179.79 3ddr h GLY 21 N 0.16 0.22 1.20 0.83 0.00 -1.45 0.33 103.07 104.35 3ddr h GLY 21 Ca 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 3ddr h GLY 21 CO -0.58 -0.05 0.48 -1.61 0.00 0.00 0.00 176.54 174.79 3ddr h GLN 22 N 0.07 1.06 -0.19 4.80 4.15 -0.84 -2.40 115.11 121.77 3ddr h GLN 22 Ca 0.11 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3ddr h GLN 22 Cb 0.14 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3ddr h GLN 22 CO -0.18 0.74 -0.05 2.35 -1.93 0.00 0.00 178.83 179.76 3ddr h TRP 23 N 1.09 0.41 0.00 3.99 7.01 -0.35 -2.32 115.95 125.78 3ddr h TRP 23 Ca 0.29 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.20 3ddr h TRP 23 Cb -0.06 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 3ddr h TRP 23 CO 0.00 0.63 0.00 0.00 -2.79 0.00 0.00 178.44 176.28 3ddr n ALA 24 N -2.36 1.44 -0.07 2.65 0.00 0.11 -0.44 120.51 121.82 3ddr n ALA 24 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 3ddr n ALA 24 Cb 0.28 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 3ddr n ALA 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ddr n SER 25 N -1.58 1.95 0.01 0.00 7.64 -0.93 -4.14 113.62 116.56 3ddr n SER 25 Ca 0.02 0.35 -0.03 0.00 1.01 0.00 0.00 58.87 60.22 3ddr n SER 25 Cb 0.12 -0.92 0.20 0.00 -1.01 0.00 0.00 64.21 62.60 3ddr n SER 25 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3ddr h THR 26 N -0.67 1.26 0.00 0.44 2.02 -1.05 -1.45 112.91 113.46 3ddr h THR 26 Ca -0.39 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3ddr h THR 26 Cb 1.54 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 3ddr h THR 26 CO -0.13 0.39 0.00 0.33 0.37 0.00 0.00 175.52 176.48 3ddr n PHE 27 N -4.13 0.00 0.00 3.16 -0.00 0.41 -4.74 117.46 112.16 3ddr n PHE 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3ddr n PHE 27 Cb 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 3ddr n PHE 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ddr n GLY 28 N 0.17 0.30 2.01 7.13 0.00 -0.55 -4.79 105.19 109.47 3ddr n GLY 28 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3ddr n GLY 28 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddr n ASN 41 N 1.39 -0.43 0.00 1.61 3.02 -1.26 -4.62 115.26 114.96 3ddr n ASN 41 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 3ddr n ASN 41 Cb 0.00 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 3ddr n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ddr n SER 42 N -3.44 1.34 0.00 6.41 3.41 -1.26 -4.92 113.62 115.17 3ddr n SER 42 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ddr n SER 42 Cb 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3ddr n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ddr n GLY 43 N 1.06 0.51 0.00 5.00 0.00 -1.26 -5.11 105.19 105.38 3ddr n GLY 43 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3ddr n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 44 N 0.00 4.29 3.62 -0.02 0.00 -1.22 -4.58 105.19 107.29 3ddr n GLY 44 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 3ddr n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ddr s PHE 45 N -0.33 2.51 -0.08 1.61 0.40 -1.26 -1.46 117.98 119.37 3ddr s PHE 45 Ca 0.00 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 3ddr s PHE 45 Cb 0.00 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.88 3ddr s PHE 45 CO 0.00 0.44 -0.09 -0.47 0.70 0.00 0.00 175.22 175.80 3ddr s TYR 46 N -2.64 1.35 0.00 0.36 6.14 -0.99 -4.83 117.35 116.75 3ddr s TYR 46 Ca 0.35 -0.57 0.00 0.00 0.64 0.00 0.00 57.07 57.49 3ddr s TYR 46 Cb 0.06 -1.08 0.00 0.00 0.42 0.00 0.00 41.96 41.35 3ddr s TYR 46 CO 0.19 -0.37 0.00 0.41 0.64 0.00 0.00 175.55 176.41 3ddr n GLY 47 N 4.40 0.65 0.00 8.97 0.00 -1.26 -1.06 105.19 116.89 3ddr n GLY 47 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ddr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 48 N -0.12 1.37 0.02 -0.02 0.00 -1.25 -4.16 105.19 101.03 3ddr n GLY 48 Ca 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 46.02 43.80 3ddr n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ddr n SER 49 N 0.00 1.90 0.00 1.61 7.64 -1.26 -4.51 113.62 119.00 3ddr n SER 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ddr n SER 49 Cb 0.00 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 3ddr n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ddr n LEU 50 N -2.10 1.24 -3.99 -3.43 4.77 -1.26 -4.64 117.00 107.59 3ddr n LEU 50 Ca -0.07 -1.24 -0.10 0.00 -0.03 0.00 0.00 56.01 54.56 3ddr n LEU 50 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3ddr n LEU 50 CO 0.28 0.31 0.23 -0.94 -1.33 0.00 0.00 177.39 175.94 3ddr s SER 51 N -0.27 0.18 0.00 -1.43 1.04 -1.26 -0.78 113.70 111.18 3ddr s SER 51 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3ddr s SER 51 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3ddr s SER 51 CO 0.00 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.56 3ddr n GLY 52 N -0.46 -1.39 0.11 7.32 0.00 -0.41 -3.80 105.19 106.56 3ddr n GLY 52 Ca -0.02 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3ddr n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ddr h SER 53 N 0.00 0.00 -4.46 1.61 4.64 -1.23 -1.49 113.55 112.62 3ddr h SER 53 Ca 0.00 -0.08 -0.28 0.00 -0.47 0.00 0.00 61.79 60.96 3ddr h SER 53 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 3ddr h SER 53 CO 0.00 0.04 -0.72 -1.10 -0.87 0.00 0.00 176.83 174.19 3ddr s GLN 54 N -3.27 0.83 -0.04 4.77 -0.21 -1.24 -0.21 119.66 120.29 3ddr s GLN 54 Ca 0.03 -1.22 0.01 0.00 0.02 0.00 0.00 55.36 54.20 3ddr s GLN 54 Cb 0.11 -0.39 0.02 0.00 1.00 0.00 0.00 33.01 33.75 3ddr s GLN 54 CO 0.75 0.04 -0.03 -0.47 -2.12 0.00 0.00 175.29 173.46 3ddr s TYR 55 N -2.90 0.60 0.18 0.91 5.04 -0.35 -2.35 117.35 118.48 3ddr s TYR 55 Ca 0.08 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 3ddr s TYR 55 Cb 0.00 -0.57 -0.05 0.00 0.35 0.00 0.00 41.96 41.69 3ddr s TYR 55 CO -0.02 -0.17 -0.04 0.00 -1.34 0.00 0.00 175.55 173.99 3ddr s ALA 56 N 0.92 1.53 0.15 3.97 0.00 -0.54 -0.94 121.76 126.86 3ddr s ALA 56 Ca -0.11 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.01 3ddr s ALA 56 Cb -0.14 0.35 0.07 0.00 0.00 0.00 0.00 23.12 23.40 3ddr s ALA 56 CO -0.00 -0.22 0.63 -1.50 0.00 0.00 0.00 175.76 174.66 3ddr s ILE 57 N -3.47 0.00 0.09 0.00 2.07 -1.15 -3.37 121.20 115.38 3ddr s ILE 57 Ca 0.23 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 3ddr s ILE 57 Cb 0.05 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 3ddr s ILE 57 CO 0.04 0.00 -0.12 -0.44 -1.91 0.00 0.00 174.94 172.51 3ddr s SER 58 N -2.73 1.60 0.09 4.50 0.01 -1.26 -2.97 113.70 112.93 3ddr s SER 58 Ca 0.02 -0.74 -0.31 0.00 1.31 0.00 0.00 55.95 56.22 3ddr s SER 58 Cb -0.01 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 3ddr s SER 58 CO -0.12 -0.18 1.43 -0.55 0.41 0.00 0.00 173.24 174.23 3ddr s SER 59 N -2.21 6.79 0.00 2.44 0.15 0.03 -4.87 113.70 116.03 3ddr s SER 59 Ca 0.03 2.32 0.26 0.00 0.70 0.00 0.00 55.95 59.26 3ddr s SER 59 Cb -0.06 -2.58 1.37 0.00 -1.71 0.00 0.00 66.02 63.04 3ddr s SER 59 CO 0.01 -0.70 1.88 0.35 1.20 0.00 0.00 173.24 175.97 3ddr n THR 60 N 4.18 0.13 -0.03 6.45 -2.24 -1.26 -0.34 114.28 121.17 3ddr n THR 60 Ca 0.12 0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.74 3ddr n THR 60 Cb 0.42 -0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 3ddr n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddr h ALA 61 N 3.33 0.16 0.00 6.98 0.00 -1.89 -3.42 119.26 124.42 3ddr h ALA 61 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3ddr h ALA 61 Cb 0.17 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ddr h ALA 61 CO 0.00 0.65 0.00 0.27 0.00 0.00 0.00 179.25 180.17 3ddr n ASN 62 N -4.16 0.24 -0.83 0.00 0.23 -1.23 -5.01 115.26 104.49 3ddr n ASN 62 Ca -0.24 -0.58 -0.11 0.00 -0.53 0.00 0.00 54.58 53.13 3ddr n ASN 62 Cb 0.78 0.56 -0.05 0.00 -2.08 0.00 0.00 39.78 38.99 3ddr n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ddr n GLN 63 N -0.56 -0.79 0.00 -3.83 3.00 0.53 -4.77 117.38 110.96 3ddr n GLN 63 Ca 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 3ddr n GLN 63 Cb 0.02 -4.84 0.00 0.00 0.00 0.00 0.00 30.24 25.41 3ddr n GLN 63 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 3ddr n VAL 64 N -2.67 0.00 -1.73 5.09 3.14 -1.26 -4.85 118.33 116.05 3ddr n VAL 64 Ca -0.11 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.84 3ddr n VAL 64 Cb 0.37 -0.20 -0.03 0.00 -1.06 0.00 0.00 33.84 32.91 3ddr n VAL 64 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3ddr s THR 65 N -1.35 3.15 0.33 1.55 2.01 -1.26 -0.27 115.64 119.80 3ddr s THR 65 Ca 0.00 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.20 3ddr s THR 65 Cb 0.00 -3.17 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 3ddr s THR 65 CO 0.00 -0.09 0.06 0.00 -0.69 0.00 0.00 174.62 173.90 3ddr s ALA 66 N 6.82 2.36 0.06 7.40 0.00 -0.68 -0.79 121.76 136.93 3ddr s ALA 66 Ca 0.92 -2.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.70 3ddr s ALA 66 Cb -0.33 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.48 3ddr s ALA 66 CO 0.36 -0.31 0.31 -0.59 0.00 0.00 0.00 175.76 175.52 3ddr s PHE 67 N -3.30 -0.09 -0.15 0.00 -0.12 -1.16 -3.34 117.98 109.82 3ddr s PHE 67 Ca 0.36 -0.12 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 3ddr s PHE 67 Cb 0.09 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.63 3ddr s PHE 67 CO 0.15 -0.54 0.08 0.08 -0.05 0.00 0.00 175.22 174.94 3ddr s VAL 68 N -2.93 -0.03 0.08 -2.49 1.01 0.25 -2.94 120.40 113.36 3ddr s VAL 68 Ca -0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3ddr s VAL 68 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 3ddr s VAL 68 CO -0.06 -0.20 0.53 0.00 0.00 0.00 0.00 175.10 175.37 3ddr s ALA 69 N 2.11 3.61 0.21 5.51 0.00 -0.11 -0.38 121.76 132.70 3ddr s ALA 69 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3ddr s ALA 69 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3ddr s ALA 69 CO -0.08 0.43 -0.19 0.20 0.00 0.00 0.00 175.76 176.12 3ddr s GLY 70 N -1.29 1.58 0.00 0.00 0.00 -0.99 -1.21 107.32 105.41 3ddr s GLY 70 Ca 0.31 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3ddr s GLY 70 CO 0.18 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.18 3ddr n GLY 71 N -0.05 0.46 2.82 0.20 0.00 0.70 -0.52 105.19 108.80 3ddr n GLY 71 Ca -0.10 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 3ddr n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ddr s ASN 72 N -4.00 3.94 0.17 1.61 3.84 -0.55 -4.05 114.94 115.89 3ddr s ASN 72 Ca 0.00 -1.49 0.11 0.00 0.21 0.00 0.00 52.86 51.68 3ddr s ASN 72 Cb 0.00 -1.00 -0.04 0.00 -0.55 0.00 0.00 41.25 39.65 3ddr s ASN 72 CO 0.00 -0.35 -0.24 -0.76 -2.79 0.00 0.00 177.10 172.96 3ddr s LEU 73 N 1.50 2.40 -0.03 3.21 1.43 -0.56 -0.89 118.68 125.74 3ddr s LEU 73 Ca 0.05 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 3ddr s LEU 73 Cb -0.18 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3ddr s LEU 73 CO -0.16 0.11 0.19 0.42 0.23 0.00 0.00 176.35 177.14 3ddr s THR 74 N -1.54 0.05 -0.07 5.49 -4.23 -0.81 -1.28 115.64 113.25 3ddr s THR 74 Ca 0.18 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 3ddr s THR 74 Cb -0.08 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 3ddr s THR 74 CO 0.08 -0.23 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.39 3ddr s TYR 75 N -0.86 2.94 0.18 3.99 5.04 0.04 -1.77 117.35 126.90 3ddr s TYR 75 Ca -0.09 0.01 0.08 0.00 -2.44 0.00 0.00 57.07 54.63 3ddr s TYR 75 Cb -0.05 -1.71 0.03 0.00 0.35 0.00 0.00 41.96 40.57 3ddr s TYR 75 CO 0.02 0.32 1.42 1.79 -1.34 0.00 0.00 175.55 177.76 3ddr h THR 76 N 4.26 1.59 0.00 4.34 1.35 -1.45 -3.47 112.91 119.54 3ddr h THR 76 Ca -0.48 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.53 3ddr h THR 76 Cb 1.17 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 3ddr h THR 76 CO 0.52 0.81 0.00 -0.11 -0.25 0.00 0.00 175.52 176.50 3ddr n LEU 77 N -3.56 0.00 -0.40 3.87 7.94 -1.26 -1.44 117.00 122.16 3ddr n LEU 77 Ca -0.01 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.03 3ddr n LEU 77 Cb 0.80 0.00 0.53 0.00 0.53 0.00 0.00 43.42 45.28 3ddr n LEU 77 CO 0.45 0.00 0.85 0.49 -1.11 0.00 0.00 177.39 178.07 3ddr n PHE 78 N 11.32 0.00 -2.33 1.96 3.01 -1.26 -0.45 117.46 129.71 3ddr n PHE 78 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 3ddr n PHE 78 Cb 0.00 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.43 3ddr n PHE 78 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3ddr s ASN 79 N -2.10 6.16 0.10 4.37 2.47 -0.52 -4.72 114.94 120.70 3ddr s ASN 79 Ca 0.36 1.83 -0.30 0.00 0.42 0.00 0.00 52.86 55.17 3ddr s ASN 79 Cb 0.21 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.41 3ddr s ASN 79 CO 0.37 -0.91 1.04 -0.70 -3.72 0.00 0.00 177.10 173.19 3ddr s GLU 80 N -3.68 4.60 -0.03 0.43 -6.30 -1.26 -1.58 118.70 110.88 3ddr s GLU 80 Ca 0.65 1.57 -0.24 0.00 -2.50 0.00 0.00 54.97 54.45 3ddr s GLU 80 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 34.13 30.58 3ddr s GLU 80 CO 0.28 0.05 0.71 -2.14 0.02 0.00 0.00 175.26 174.18 3ddr s PRO 81 N 0.24 4.44 0.26 4.30 0.02 -1.26 -4.97 135.00 138.03 3ddr s PRO 81 Ca 0.50 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.15 3ddr s PRO 81 Cb -0.26 -3.41 -0.15 0.00 0.02 0.00 0.00 34.50 30.70 3ddr s PRO 81 CO 0.31 0.16 0.96 0.00 -0.33 0.00 0.00 177.00 178.09 3ddr n ALA 82 N 3.40 -0.69 -3.78 -1.55 0.00 -0.61 -3.28 120.51 114.00 3ddr n ALA 82 Ca -0.02 0.41 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 3ddr n ALA 82 Cb 0.51 -1.96 0.02 0.00 0.00 0.00 0.00 19.45 18.02 3ddr n ALA 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ddr n HIS 83 N 0.35 -1.83 -5.19 0.00 8.25 0.41 -4.94 115.22 112.26 3ddr n HIS 83 Ca 0.11 0.72 -0.32 0.00 -0.26 0.00 0.00 57.72 57.97 3ddr n HIS 83 Cb 0.30 -3.93 -0.16 0.00 1.12 0.00 0.00 29.99 27.32 3ddr n HIS 83 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ddr s THR 84 N -3.73 2.22 -0.29 1.59 2.01 -1.20 -4.93 115.64 111.31 3ddr s THR 84 Ca 0.12 -1.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 3ddr s THR 84 Cb -0.04 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3ddr s THR 84 CO 0.85 0.57 0.17 -0.22 -0.69 0.00 0.00 174.62 175.30 3ddr s LEU 85 N -0.06 4.00 0.28 4.42 2.96 -1.26 -1.17 118.68 127.85 3ddr s LEU 85 Ca -0.06 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3ddr s LEU 85 Cb -0.15 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.41 3ddr s LEU 85 CO 0.05 -0.09 0.05 -0.72 -1.32 0.00 0.00 176.35 174.32 3ddr s TYR 86 N 1.71 1.76 -2.54 5.38 -0.85 -0.73 -3.69 117.35 118.40 3ddr s TYR 86 Ca 0.06 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 3ddr s TYR 86 Cb -0.16 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.09 3ddr s TYR 86 CO 0.09 -0.09 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 3ddr n GLY 87 N -0.56 0.51 3.18 5.49 0.00 -1.15 -1.93 105.19 110.71 3ddr n GLY 87 Ca -0.02 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3ddr n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddr s GLN 88 N -1.18 3.03 -0.11 1.61 1.11 -0.07 -1.27 119.66 122.79 3ddr s GLN 88 Ca 0.00 -0.85 -0.08 0.00 0.01 0.00 0.00 55.36 54.44 3ddr s GLN 88 Cb 0.00 -2.43 -0.04 0.00 -1.01 0.00 0.00 33.01 29.52 3ddr s GLN 88 CO 0.00 -0.00 0.18 -1.17 0.01 0.00 0.00 175.29 174.30 3ddr s LEU 89 N 0.79 4.39 0.00 2.90 0.20 -0.17 -1.49 118.68 125.31 3ddr s LEU 89 Ca -0.08 0.52 0.00 0.00 0.69 0.00 0.00 54.13 55.27 3ddr s LEU 89 Cb -0.16 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 3ddr s LEU 89 CO -0.01 0.39 0.00 0.47 -0.29 0.00 0.00 176.35 176.90 3ddr n ASP 90 N 2.05 0.00 -4.52 3.68 8.00 0.32 -2.35 116.55 123.73 3ddr n ASP 90 Ca -0.19 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 3ddr n ASP 90 Cb 0.54 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.80 3ddr n ASP 90 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ddr s SER 91 N 1.00 3.13 -0.36 -2.24 1.04 -1.21 -2.78 113.70 112.27 3ddr s SER 91 Ca 0.00 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.15 3ddr s SER 91 Cb 0.00 -1.17 0.19 0.00 0.10 0.00 0.00 66.02 65.15 3ddr s SER 91 CO 0.00 -2.76 0.97 -0.22 0.98 0.00 0.00 173.24 172.20 3ddr s LEU 92 N -6.10 -0.62 -0.16 2.42 2.96 -1.14 -2.36 118.68 113.68 3ddr s LEU 92 Ca 0.67 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 3ddr s LEU 92 Cb -0.11 0.80 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 3ddr s LEU 92 CO 0.53 -0.05 0.35 -0.55 -1.32 0.00 0.00 176.35 175.31 3ddr s SER 93 N 1.54 6.48 0.32 3.68 0.15 0.48 -3.22 113.70 123.13 3ddr s SER 93 Ca 0.19 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.48 3ddr s SER 93 Cb 0.05 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 3ddr s SER 93 CO -0.11 0.04 0.13 -0.36 1.20 0.00 0.00 173.24 174.13 3ddr s PHE 94 N 0.70 2.74 -5.00 3.44 0.40 -0.99 -0.58 117.98 118.68 3ddr s PHE 94 Ca 0.19 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3ddr s PHE 94 Cb -0.14 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3ddr s PHE 94 CO 0.06 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.78 3ddr n GLY 95 N -1.12 0.99 3.62 4.36 0.00 -1.21 -1.54 105.19 110.28 3ddr n GLY 95 Ca -0.04 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 3ddr n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddr s ASP 96 N -4.00 4.89 0.02 1.61 1.11 -0.85 -1.69 116.67 117.75 3ddr s ASP 96 Ca 0.00 0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.77 3ddr s ASP 96 Cb 0.00 -1.32 0.00 0.00 1.07 0.00 0.00 42.92 42.67 3ddr s ASP 96 CO 0.00 0.36 0.00 0.61 1.18 0.00 0.00 175.17 177.32 3ddr n GLY 97 N 2.25 -2.63 3.21 0.21 0.00 0.63 -0.99 105.19 107.87 3ddr n GLY 97 Ca -0.18 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 3ddr n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 98 N -4.11 2.44 -0.24 0.99 1.43 -1.26 -3.21 118.68 114.73 3ddr s LEU 98 Ca 0.00 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 3ddr s LEU 98 Cb 0.00 -0.16 0.09 0.00 0.03 0.00 0.00 46.19 46.16 3ddr s LEU 98 CO 0.00 -0.44 0.84 -0.55 0.23 0.00 0.00 176.35 176.42 3ddr s SER 99 N -3.11 -0.61 0.00 2.29 0.15 -0.69 -4.76 113.70 106.97 3ddr s SER 99 Ca 0.16 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.89 3ddr s SER 99 Cb 0.05 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3ddr s SER 99 CO -0.01 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3ddr n GLY 100 N 2.15 -1.17 0.00 9.45 0.00 -1.26 0.14 105.19 114.49 3ddr n GLY 100 Ca -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3ddr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 101 N 0.00 0.53 0.23 -0.02 0.00 0.89 -4.74 105.19 102.09 3ddr n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ddr n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ddr n ASP 102 N 0.00 0.00 -0.04 1.61 8.00 -1.26 -4.90 116.55 119.96 3ddr n ASP 102 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 3ddr n ASP 102 Cb 0.00 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 3ddr n ASP 102 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3ddr h THR 103 N 0.00 1.23 -1.98 -3.53 2.02 -2.03 -3.48 112.91 105.15 3ddr h THR 103 Ca 0.00 -2.34 -0.55 0.00 0.77 0.00 0.00 66.41 64.29 3ddr h THR 103 Cb 0.00 2.80 -0.08 0.00 -1.74 0.00 0.00 68.15 69.13 3ddr h THR 103 CO 0.00 0.58 -0.57 -0.94 0.37 0.00 0.00 175.52 174.96 3ddr s SER 104 N -6.79 4.68 0.71 4.18 1.04 -1.26 -5.11 113.70 111.15 3ddr s SER 104 Ca -0.21 -0.72 -0.16 0.00 0.48 0.00 0.00 55.95 55.34 3ddr s SER 104 Cb 0.03 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.37 3ddr s SER 104 CO 0.71 -0.20 1.18 -2.65 0.98 0.00 0.00 173.24 173.26 3ddr n PRO 105 N -1.08 0.71 -1.88 4.02 -0.02 -1.26 -0.08 135.00 135.41 3ddr n PRO 105 Ca -0.04 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.35 3ddr n PRO 105 Cb 0.60 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3ddr n PRO 105 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ddr s TYR 106 N -1.69 2.48 0.12 6.00 1.51 -1.26 -3.91 117.35 120.60 3ddr s TYR 106 Ca 0.78 1.36 -0.04 0.00 -1.01 0.00 0.00 57.07 58.17 3ddr s TYR 106 Cb -0.35 -3.77 -0.03 0.00 -0.11 0.00 0.00 41.96 37.70 3ddr s TYR 106 CO 0.46 -2.64 0.11 0.45 -1.11 0.00 0.00 175.55 172.82 3ddr s SER 107 N -0.83 0.25 -0.20 2.29 0.15 0.12 -4.94 113.70 110.54 3ddr s SER 107 Ca 0.65 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 3ddr s SER 107 Cb -0.40 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 3ddr s SER 107 CO 0.49 -0.75 0.07 -0.63 1.20 0.00 0.00 173.24 173.62 3ddr s ILE 108 N -4.00 4.68 0.26 6.45 1.01 -1.26 -1.70 121.20 126.65 3ddr s ILE 108 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3ddr s ILE 108 Cb 0.06 -3.14 0.07 0.00 0.01 0.00 0.00 42.46 39.47 3ddr s ILE 108 CO -0.01 0.42 1.72 1.56 0.00 0.00 0.00 174.94 178.62 3ddr h GLN 109 N 7.18 0.62 -2.41 2.79 1.08 -1.47 -3.36 115.11 119.53 3ddr h GLN 109 Ca -0.37 -0.22 -0.59 0.00 -1.45 0.00 0.00 58.65 56.03 3ddr h GLN 109 Cb 1.17 -0.05 -0.40 0.00 -0.05 0.00 0.00 27.48 28.16 3ddr h GLN 109 CO 0.66 0.76 -0.86 0.28 -0.95 0.00 0.00 178.83 178.73 3ddr n VAL 110 N -4.15 0.14 -1.72 -0.54 0.31 -0.16 -5.01 118.33 107.21 3ddr n VAL 110 Ca 0.00 -4.19 -0.42 0.00 -0.01 0.00 0.00 64.34 59.72 3ddr n VAL 110 Cb 0.38 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3ddr n VAL 110 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ddr n PRO 111 N 1.96 2.24 -0.02 5.55 -0.02 -1.26 -2.01 135.00 141.44 3ddr n PRO 111 Ca 0.25 0.79 -0.03 0.00 -2.02 0.00 0.00 63.50 62.49 3ddr n PRO 111 Cb 0.45 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3ddr n PRO 111 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ddr n ASP 112 N 0.67 2.46 -3.99 2.55 9.92 -0.59 -4.81 116.55 122.75 3ddr n ASP 112 Ca 0.04 0.01 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 3ddr n ASP 112 Cb 0.37 -0.08 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 3ddr n ASP 112 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3ddr s VAL 113 N -2.07 0.09 -0.48 2.53 1.01 -1.16 -3.09 120.40 117.23 3ddr s VAL 113 Ca -0.05 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.48 3ddr s VAL 113 Cb 0.02 -1.82 0.22 0.00 0.00 0.00 0.00 36.38 34.80 3ddr s VAL 113 CO 0.08 -0.40 0.87 -1.20 0.00 0.00 0.00 175.10 174.45 3ddr n SER 114 N -0.16 -2.89 -4.66 3.32 7.64 -0.72 -2.36 113.62 113.79 3ddr n SER 114 Ca -0.08 -2.78 -0.33 0.00 1.01 0.00 0.00 58.87 56.69 3ddr n SER 114 Cb 0.63 1.61 0.13 0.00 -1.01 0.00 0.00 64.21 65.57 3ddr n SER 114 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ddr n PHE 115 N 2.31 0.97 -3.81 1.43 3.01 -1.20 -2.04 117.46 118.12 3ddr n PHE 115 Ca 0.13 0.39 -0.09 0.00 1.01 0.00 0.00 57.45 58.89 3ddr n PHE 115 Cb 0.61 -2.06 -0.05 0.00 -0.01 0.00 0.00 39.48 37.97 3ddr n PHE 115 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3ddr s GLY 116 N -2.17 0.09 -1.45 1.37 0.00 -1.25 -2.90 107.32 101.00 3ddr s GLY 116 Ca 0.71 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 3ddr s GLY 116 CO 0.53 -0.42 0.37 0.61 0.00 0.00 0.00 173.10 174.19 3ddr n GLY 117 N -0.31 -0.22 0.04 0.20 0.00 -1.26 -2.08 105.19 101.56 3ddr n GLY 117 Ca -0.09 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3ddr n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddr n LEU 118 N -4.43 0.27 -4.29 0.99 4.32 -1.12 -3.47 117.00 109.27 3ddr n LEU 118 Ca -0.29 0.54 -0.33 0.00 -0.02 0.00 0.00 56.01 55.91 3ddr n LEU 118 Cb 0.68 -0.47 -0.09 0.00 -1.62 0.00 0.00 43.42 41.92 3ddr n LEU 118 CO 0.78 -0.17 -0.36 -3.20 -1.22 0.00 0.00 177.39 173.22 3ddr n ASN 119 N -1.77 0.06 -4.77 -1.43 5.15 -1.24 -4.92 115.26 106.34 3ddr n ASN 119 Ca 0.05 -1.21 -0.31 0.00 -0.60 0.00 0.00 54.58 52.51 3ddr n ASN 119 Cb 0.31 -1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 37.97 3ddr n ASN 119 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ddr s LEU 120 N -7.11 3.79 -0.25 1.20 1.43 -0.99 -5.02 118.68 111.73 3ddr s LEU 120 Ca 0.26 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 3ddr s LEU 120 Cb -0.15 -2.41 0.07 0.00 0.03 0.00 0.00 46.19 43.73 3ddr s LEU 120 CO 0.96 0.20 0.66 -0.55 0.23 0.00 0.00 176.35 177.85 3ddr s SER 121 N -2.21 -0.74 0.16 2.29 0.15 -1.26 -1.00 113.70 111.08 3ddr s SER 121 Ca 0.27 1.36 0.03 0.00 0.70 0.00 0.00 55.95 58.32 3ddr s SER 121 Cb -0.12 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.48 3ddr s SER 121 CO 0.20 -0.23 -0.06 -0.44 1.20 0.00 0.00 173.24 173.91 3ddr s SER 122 N 0.69 1.55 0.06 5.45 0.01 -0.40 -4.74 113.70 116.32 3ddr s SER 122 Ca -0.03 -1.08 0.02 0.00 1.31 0.00 0.00 55.95 56.17 3ddr s SER 122 Cb -0.05 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 3ddr s SER 122 CO -0.04 -0.44 0.10 -0.76 0.41 0.00 0.00 173.24 172.51 3ddr s LEU 123 N -3.17 3.92 0.27 2.44 1.02 -1.26 -2.95 118.68 118.95 3ddr s LEU 123 Ca 0.19 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.41 3ddr s LEU 123 Cb 0.04 -2.53 0.58 0.00 0.02 0.00 0.00 46.19 44.30 3ddr s LEU 123 CO 0.01 0.19 1.76 -0.61 0.02 0.00 0.00 176.35 177.72 3ddr h GLN 124 N 3.40 0.59 0.00 1.70 4.15 -1.96 -1.00 115.11 122.00 3ddr h GLN 124 Ca -0.47 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3ddr h GLN 124 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.72 3ddr h GLN 124 CO 0.67 0.39 0.00 0.00 -1.93 0.00 0.00 178.83 177.96 3ddr n ALA 125 N -2.42 1.16 0.72 3.38 0.00 -1.26 -2.62 120.51 119.46 3ddr n ALA 125 Ca 0.18 0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.93 3ddr n ALA 125 Cb 0.48 -1.33 0.30 0.00 0.00 0.00 0.00 19.45 18.90 3ddr n ALA 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddr n GLN 126 N -2.26 0.19 0.00 0.00 6.02 -0.38 -4.99 117.38 115.96 3ddr n GLN 126 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3ddr n GLN 126 Cb 0.07 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.68 3ddr n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddr n GLY 127 N 1.38 3.03 0.00 1.08 0.00 -1.08 -2.57 105.19 107.03 3ddr n GLY 127 Ca 0.05 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3ddr n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ddr n HIS 128 N 13.93 0.00 1.04 1.61 8.25 -1.26 -3.09 115.22 135.70 3ddr n HIS 128 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3ddr n HIS 128 Cb 0.00 -0.34 0.16 0.00 1.12 0.00 0.00 29.99 30.93 3ddr n HIS 128 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ddr n ASP 129 N -1.34 0.81 -4.71 0.41 8.00 -1.06 -4.36 116.55 114.30 3ddr n ASP 129 Ca 0.11 -0.63 -0.35 0.00 0.71 0.00 0.00 54.79 54.63 3ddr n ASP 129 Cb 0.23 0.43 0.10 0.00 -0.02 0.00 0.00 41.12 41.87 3ddr n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ddr s GLY 130 N -2.89 2.52 -0.00 0.44 0.00 -1.18 -4.89 107.32 101.32 3ddr s GLY 130 Ca 0.13 1.04 -0.20 0.00 0.00 0.00 0.00 44.72 45.70 3ddr s GLY 130 CO 0.71 1.47 1.03 -0.24 0.00 0.00 0.00 173.10 176.07 3ddr h VAL 131 N -0.19 1.43 -0.72 1.40 3.04 -1.90 -2.35 116.25 116.95 3ddr h VAL 131 Ca -0.49 -2.31 0.18 0.00 -1.01 0.00 0.00 66.70 63.08 3ddr h VAL 131 Cb 1.32 2.82 -0.04 0.00 -2.01 0.00 0.00 31.29 33.38 3ddr h VAL 131 CO 0.49 0.67 0.50 -0.37 -1.01 0.00 0.00 177.57 177.86 3ddr h VAL 132 N -0.12 0.70 0.00 1.51 -1.51 -1.86 -2.04 116.25 112.94 3ddr h VAL 132 Ca -0.12 -0.06 -0.04 0.00 -1.23 0.00 0.00 66.70 65.26 3ddr h VAL 132 Cb 1.54 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 3ddr h VAL 132 CO 0.15 0.03 -0.23 -0.74 -1.23 0.00 0.00 177.57 175.55 3ddr h HIS 133 N 0.16 0.00 -0.78 5.19 -0.00 -1.62 -3.08 115.15 115.02 3ddr h HIS 133 Ca 0.35 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.85 3ddr h HIS 133 Cb 1.14 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.50 3ddr h HIS 133 CO -0.00 0.91 0.51 1.96 -0.00 0.00 0.00 177.93 181.32 3ddr h GLN 134 N -1.00 0.54 0.60 5.26 4.20 -1.03 -0.55 115.11 123.13 3ddr h GLN 134 Ca -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3ddr h GLN 134 Cb 0.90 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.56 3ddr h GLN 134 CO -0.04 0.36 -0.29 0.28 -0.67 0.00 0.00 178.83 178.47 3ddr h VAL 135 N 0.56 0.00 -0.34 -0.54 2.07 -1.48 -2.67 116.25 113.85 3ddr h VAL 135 Ca 0.38 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.52 3ddr h VAL 135 Cb 0.68 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ddr h VAL 135 CO -0.14 0.00 -0.30 0.58 0.02 0.00 0.00 177.57 177.73 3ddr h VAL 136 N -1.06 1.28 -0.60 2.57 2.07 -1.38 -1.14 116.25 117.99 3ddr h VAL 136 Ca -0.08 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.01 3ddr h VAL 136 Cb 0.62 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3ddr h VAL 136 CO 0.14 0.47 0.39 0.22 0.02 0.00 0.00 177.57 178.80 3ddr h TYR 137 N 0.62 0.73 -0.48 1.57 3.20 -1.23 -1.26 116.97 120.12 3ddr h TYR 137 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3ddr h TYR 137 Cb 0.82 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3ddr h TYR 137 CO 0.04 0.44 0.25 0.78 -1.64 0.00 0.00 178.16 178.04 3ddr h GLY 138 N 0.78 0.67 0.91 1.82 0.00 -1.05 -2.67 103.07 103.53 3ddr h GLY 138 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.39 3ddr h GLY 138 CO -0.07 0.13 0.19 1.41 0.00 0.00 0.00 176.54 178.20 3ddr h LEU 139 N 0.50 0.30 -0.21 3.11 3.38 -0.69 0.18 115.31 121.89 3ddr h LEU 139 Ca 0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ddr h LEU 139 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ddr h LEU 139 CO -0.13 0.22 0.06 0.23 0.09 0.00 0.00 178.44 178.91 3ddr n MET 140 N -4.91 0.02 -0.00 1.13 2.81 -0.52 -1.40 117.12 114.25 3ddr n MET 140 Ca -0.00 0.47 0.08 0.00 -1.81 0.00 0.00 57.70 56.44 3ddr n MET 140 Cb 0.06 -1.63 -0.11 0.00 -0.71 0.00 0.00 33.22 30.83 3ddr n MET 140 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3ddr n SER 141 N -1.57 1.15 -0.02 7.83 7.64 -0.30 -4.96 113.62 123.39 3ddr n SER 141 Ca -0.00 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.53 3ddr n SER 141 Cb 0.06 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 3ddr n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddr n GLY 142 N 1.51 0.72 3.04 0.23 0.00 -0.49 -5.04 105.19 105.16 3ddr n GLY 142 Ca -0.01 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 3ddr n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ddr s ASP 143 N -2.79 4.85 0.00 1.61 -1.08 0.49 -4.87 116.67 114.88 3ddr s ASP 143 Ca 0.00 -2.75 0.20 0.00 -0.52 0.00 0.00 52.55 49.48 3ddr s ASP 143 Cb 0.00 -1.75 1.03 0.00 -1.46 0.00 0.00 42.92 40.74 3ddr s ASP 143 CO 0.00 -0.34 1.60 0.35 0.52 0.00 0.00 175.17 177.30 3ddr n THR 144 N 3.55 0.32 -0.06 1.71 -2.24 -1.26 -3.42 114.28 112.88 3ddr n THR 144 Ca 0.05 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 3ddr n THR 144 Cb 0.37 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 3ddr n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddr n GLY 145 N 0.34 -2.90 0.34 3.38 0.00 -1.26 -1.97 105.19 103.12 3ddr n GLY 145 Ca 0.11 0.65 0.05 0.00 0.00 0.00 0.00 46.02 46.83 3ddr n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddr h ALA 146 N -0.72 1.70 0.92 4.61 0.00 -1.83 -2.45 119.26 121.48 3ddr h ALA 146 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ddr h ALA 146 Cb 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ddr h ALA 146 CO -0.14 0.23 -0.44 1.25 0.00 0.00 0.00 179.25 180.14 3ddr h LEU 147 N 0.71 -1.05 -0.82 0.00 6.46 -1.68 -2.48 115.31 116.45 3ddr h LEU 147 Ca 0.26 0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.20 3ddr h LEU 147 Cb 0.13 0.27 -0.10 0.00 -0.73 0.00 0.00 40.66 40.24 3ddr h LEU 147 CO -0.07 -0.75 0.39 -0.33 -0.62 0.00 0.00 178.44 177.06 3ddr h GLU 148 N -1.23 0.53 -0.30 1.25 5.08 -1.12 0.94 114.58 119.72 3ddr h GLU 148 Ca -0.13 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3ddr h GLU 148 Cb 0.95 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3ddr h GLU 148 CO 0.21 0.35 0.16 1.15 -1.00 0.00 0.00 179.01 179.88 3ddr h THR 149 N 0.55 1.01 -0.08 1.13 2.02 -1.33 -0.39 112.91 115.81 3ddr h THR 149 Ca 0.45 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 67.39 3ddr h THR 149 Cb 0.68 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3ddr h THR 149 CO -0.39 0.06 -0.53 0.00 0.37 0.00 0.00 175.52 175.03 3ddr h ALA 150 N 1.15 0.94 -0.48 6.16 0.00 -0.85 -3.15 119.26 123.03 3ddr h ALA 150 Ca 0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3ddr h ALA 150 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ddr h ALA 150 CO -0.07 0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 179.75 3ddr h LEU 151 N 0.19 0.86 -0.64 0.00 3.38 -0.46 -3.04 115.31 115.61 3ddr h LEU 151 Ca 0.00 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.72 3ddr h LEU 151 Cb 1.00 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3ddr h LEU 151 CO 0.08 0.98 0.31 0.78 0.09 0.00 0.00 178.44 180.69 3ddr h ASN 152 N 0.72 0.42 0.31 -0.43 2.35 -1.04 -0.40 115.58 117.52 3ddr h ASN 152 Ca 0.13 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3ddr h ASN 152 Cb 0.57 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3ddr h ASN 152 CO 0.03 0.27 -0.07 1.23 -1.65 0.00 0.00 177.43 177.23 3ddr h GLY 153 N 0.57 0.00 1.42 2.83 0.00 -1.51 0.15 103.07 106.54 3ddr h GLY 153 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.32 3ddr h GLY 153 CO -0.23 0.00 -1.38 -2.22 0.00 0.00 0.00 176.54 172.71 3ddr h ILE 154 N 0.00 1.38 0.00 2.60 2.04 -1.13 -3.34 117.51 119.06 3ddr h ILE 154 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3ddr h ILE 154 Cb 0.25 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3ddr h ILE 154 CO 0.01 0.85 -0.13 -0.07 0.00 0.00 0.00 178.15 178.81 3ddr h LEU 155 N 0.12 0.00 -1.56 1.44 3.38 0.05 -3.22 115.31 115.52 3ddr h LEU 155 Ca -0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ddr h LEU 155 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 3ddr h LEU 155 CO 0.24 0.02 0.00 -0.78 0.09 0.00 0.00 178.44 178.01 3ddr h ASP 156 N 0.00 0.00 0.44 -0.43 3.58 -0.77 0.46 116.42 119.70 3ddr h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3ddr h ASP 156 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 3ddr h ASP 156 CO 0.00 0.00 -0.11 0.47 -2.88 0.00 0.00 179.24 176.72 3ddr n ASP 157 N -2.61 0.38 -0.12 2.28 9.92 -1.21 -2.58 116.55 122.60 3ddr n ASP 157 Ca -0.00 -0.42 0.07 0.00 -0.53 0.00 0.00 54.79 53.91 3ddr n ASP 157 Cb 0.16 -0.11 0.10 0.00 -0.64 0.00 0.00 41.12 40.63 3ddr n ASP 157 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ddr n TYR 158 N -1.07 0.00 -2.77 1.24 4.02 0.66 -4.98 117.16 114.25 3ddr n TYR 158 Ca 0.13 -0.79 -0.18 0.00 -0.01 0.00 0.00 57.90 57.05 3ddr n TYR 158 Cb 0.28 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3ddr n TYR 158 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ddr n GLY 159 N -1.12 -0.50 3.57 2.72 0.00 -0.44 -4.97 105.19 104.45 3ddr n GLY 159 Ca 0.12 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3ddr n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 160 N -6.11 2.94 0.00 0.99 1.43 0.13 -4.94 118.68 113.11 3ddr s LEU 160 Ca 0.16 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3ddr s LEU 160 Cb -0.08 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3ddr s LEU 160 CO 0.20 0.05 0.00 -1.54 0.23 0.00 0.00 176.35 175.28 3ddr n SER 161 N -0.50 1.17 0.05 2.29 3.41 -1.26 -3.42 113.62 115.36 3ddr n SER 161 Ca -0.08 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3ddr n SER 161 Cb 0.58 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.69 3ddr n SER 161 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ddr n VAL 162 N 0.00 0.30 0.56 -3.33 0.24 -1.26 -3.19 118.33 111.65 3ddr n VAL 162 Ca 0.00 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3ddr n VAL 162 Cb 0.00 -0.06 0.45 0.00 -1.47 0.00 0.00 33.84 32.76 3ddr n VAL 162 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3ddr n ASN 163 N -2.04 0.50 -4.78 -1.34 3.02 -1.26 -0.27 115.26 109.10 3ddr n ASN 163 Ca 0.03 0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 54.82 3ddr n ASN 163 Cb 0.43 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 3ddr n ASN 163 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ddr s SER 164 N -3.94 6.00 0.35 6.41 0.01 -1.19 -4.77 113.70 116.57 3ddr s SER 164 Ca 0.08 2.17 0.02 0.00 1.31 0.00 0.00 55.95 59.53 3ddr s SER 164 Cb 0.11 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3ddr s SER 164 CO 0.44 -1.03 0.53 0.42 0.41 0.00 0.00 173.24 174.02 3ddr s THR 165 N -1.73 4.72 0.14 1.44 -4.23 -1.26 -1.74 115.64 112.99 3ddr s THR 165 Ca 0.68 -0.64 -0.20 0.00 -1.18 0.00 0.00 61.69 60.35 3ddr s THR 165 Cb -0.24 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.90 3ddr s THR 165 CO 0.28 -0.41 1.68 -0.26 -0.54 0.00 0.00 174.62 175.37 3ddr h PHE 166 N 0.76 -0.27 -0.41 3.99 -1.00 -1.57 -0.62 116.94 117.82 3ddr h PHE 166 Ca -0.49 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.40 3ddr h PHE 166 Cb 1.23 0.16 -0.09 0.00 3.61 0.00 0.00 35.95 40.86 3ddr h PHE 166 CO 0.47 -0.17 -0.21 -0.44 -1.61 0.00 0.00 178.31 176.35 3ddr h ASP 167 N -0.09 -0.71 -0.30 2.17 3.32 -1.75 0.63 116.42 119.70 3ddr h ASP 167 Ca 0.12 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.39 3ddr h ASP 167 Cb 0.27 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 3ddr h ASP 167 CO -0.28 -0.24 -0.09 1.56 -1.72 0.00 0.00 179.24 178.47 3ddr h GLN 168 N -0.13 -0.02 -0.59 3.56 4.20 -1.68 -1.83 115.11 118.62 3ddr h GLN 168 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3ddr h GLN 168 Cb 0.44 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 3ddr h GLN 168 CO -0.49 -0.02 0.17 0.28 -0.67 0.00 0.00 178.83 178.10 3ddr h VAL 169 N -0.02 1.23 0.41 -0.54 2.07 -0.04 -0.93 116.25 118.43 3ddr h VAL 169 Ca 0.15 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ddr h VAL 169 Cb 0.25 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ddr h VAL 169 CO -0.32 0.31 -0.26 0.00 0.02 0.00 0.00 177.57 177.32 3ddr h ALA 170 N 1.32 -0.64 -0.57 1.67 0.00 0.80 -2.69 119.26 119.16 3ddr h ALA 170 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ddr h ALA 170 Cb 0.27 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3ddr h ALA 170 CO -0.01 -0.87 0.36 0.00 0.00 0.00 0.00 179.25 178.73 3ddr h ALA 171 N -0.09 0.72 0.00 0.00 0.00 -1.25 -2.42 119.26 116.22 3ddr h ALA 171 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ddr h ALA 171 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ddr h ALA 171 CO 0.04 0.18 0.17 0.00 0.00 0.00 0.00 179.25 179.64 3ddr h ALA 172 N 1.19 1.14 -1.16 0.00 0.00 -0.89 -2.66 119.26 116.87 3ddr h ALA 172 Ca 0.21 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.50 3ddr h ALA 172 Cb -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.35 3ddr h ALA 172 CO -0.04 -0.14 -0.31 0.25 0.00 0.00 0.00 179.25 179.01 3ddr n THR 173 N -2.54 2.74 0.00 0.00 -2.24 -0.91 -5.05 114.28 106.27 3ddr n THR 173 Ca -0.02 -4.43 0.00 0.00 -2.27 0.00 0.00 64.05 57.33 3ddr n THR 173 Cb 0.21 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 3ddr n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50