#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dao s SER 2 N 0.00 4.82 -0.83 1.61 0.01 -1.26 -5.03 113.70 113.02 2dao s SER 2 Ca 0.00 -2.64 -0.26 0.00 1.31 0.00 0.00 55.95 54.36 2dao s SER 2 Cb 0.00 -1.73 -0.14 0.00 0.21 0.00 0.00 66.02 64.36 2dao s SER 2 CO 0.00 -0.35 2.34 -0.44 0.41 0.00 0.00 173.24 175.19 2dao s SER 3 N 0.57 3.98 0.00 2.44 0.01 -1.26 -4.65 113.70 114.79 2dao s SER 3 Ca 0.14 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2dao s SER 3 Cb -0.22 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2dao s SER 3 CO -0.03 -3.84 0.00 0.61 0.41 0.00 0.00 173.24 170.39 2dao n GLY 4 N 6.76 -0.51 0.55 3.44 0.00 -1.26 -4.68 105.19 109.49 2dao n GLY 4 Ca 0.46 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 2dao n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dao n SER 5 N -0.85 1.12 -2.14 1.61 7.64 -1.26 -4.74 113.62 114.99 2dao n SER 5 Ca 0.00 0.19 -0.27 0.00 1.01 0.00 0.00 58.87 59.80 2dao n SER 5 Cb 0.00 -0.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2dao n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dao n SER 6 N -3.71 5.58 0.00 6.43 7.64 -1.26 -5.05 113.62 123.24 2dao n SER 6 Ca -0.25 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 55.87 2dao n SER 6 Cb 0.63 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2dao n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dao n GLY 7 N -0.74 1.29 3.76 0.23 0.00 -1.26 -4.95 105.19 103.52 2dao n GLY 7 Ca 0.48 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 2dao n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dao s ARG 9 N -3.83 1.03 0.65 0.00 3.03 -1.26 -5.14 118.95 113.43 2dao s ARG 9 Ca 0.09 -0.27 -0.13 0.00 2.03 0.00 0.00 55.73 57.45 2dao s ARG 9 Cb -0.05 -0.95 -0.01 0.00 -1.03 0.00 0.00 34.95 32.91 2dao s ARG 9 CO 0.02 0.05 1.07 -0.51 -1.13 0.00 0.00 175.30 174.80 2dao s LEU 10 N 0.43 3.31 0.01 -1.89 1.43 -1.26 -4.89 118.68 115.83 2dao s LEU 10 Ca -0.07 1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 54.72 2dao s LEU 10 Cb -0.11 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 2dao s LEU 10 CO 0.01 -1.39 1.12 0.25 0.23 0.00 0.00 176.35 176.56 2dao h LEU 11 N -0.16 -0.24 -0.68 1.79 5.85 -1.92 -2.46 115.31 117.48 2dao h LEU 11 Ca -0.45 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.53 2dao h LEU 11 Cb 1.22 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 2dao h LEU 11 CO 0.56 -0.17 0.25 -2.67 -0.34 0.00 0.00 178.44 176.08 2dao n TRP 12 N -2.76 0.68 0.19 1.25 4.27 -1.26 0.15 117.44 119.96 2dao n TRP 12 Ca -0.03 0.81 -0.14 0.00 -3.89 0.00 0.00 57.50 54.24 2dao n TRP 12 Cb 0.11 -1.16 -0.08 0.00 -1.36 0.00 0.00 31.31 28.81 2dao n TRP 12 CO 0.00 0.00 0.00 0.22 -2.29 0.00 0.00 177.69 175.62 2dao h ASP 13 N 0.00 -0.38 -1.46 -0.67 1.82 -1.90 -2.67 116.42 111.16 2dao h ASP 13 Ca 0.53 -0.09 0.42 0.00 -0.39 0.00 0.00 57.03 57.50 2dao h ASP 13 Cb 1.31 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 41.37 2dao h ASP 13 CO -0.56 -0.14 1.26 0.00 -1.61 0.00 0.00 179.24 178.18 2dao n TYR 14 N -5.22 0.00 0.17 0.28 9.36 0.39 0.01 117.16 122.15 2dao n TYR 14 Ca -0.10 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.97 2dao n TYR 14 Cb 0.24 -0.36 -0.07 0.00 -0.63 0.00 0.00 39.34 38.51 2dao n TYR 14 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2dao h VAL 15 N 0.00 0.22 -0.32 2.97 2.07 -1.37 -2.89 116.25 116.93 2dao h VAL 15 Ca 0.69 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.27 2dao h VAL 15 Cb 3.20 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 33.10 2dao h VAL 15 CO -0.01 0.00 -0.43 0.22 0.02 0.00 0.00 177.57 177.38 2dao h TYR 16 N -0.69 -1.23 -0.83 1.57 3.20 -0.59 0.11 116.97 118.52 2dao h TYR 16 Ca 0.00 0.06 0.31 0.00 3.14 0.00 0.00 58.73 62.25 2dao h TYR 16 Cb 0.67 0.59 -0.15 0.00 1.54 0.00 0.00 36.73 39.37 2dao h TYR 16 CO -0.28 -0.45 0.33 1.04 -1.64 0.00 0.00 178.16 177.15 2dao n GLN 17 N -5.42 -0.05 0.06 1.82 1.13 -1.10 0.50 117.38 114.33 2dao n GLN 17 Ca -0.02 1.17 -0.12 0.00 -1.94 0.00 0.00 57.00 56.09 2dao n GLN 17 Cb 0.35 -2.03 -0.08 0.00 0.11 0.00 0.00 30.24 28.60 2dao n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dao h LEU 18 N 0.00 -0.19 -0.47 1.08 3.38 -0.93 -3.27 115.31 114.91 2dao h LEU 18 Ca 0.65 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.35 2dao h LEU 18 Cb 1.63 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.33 2dao h LEU 18 CO -0.67 0.32 -0.41 -0.07 0.09 0.00 0.00 178.44 177.69 2dao h LEU 19 N -0.78 -1.38 -0.98 1.67 -0.00 0.57 0.06 115.31 114.47 2dao h LEU 19 Ca -0.02 0.22 0.26 0.00 -0.00 0.00 0.00 57.88 58.34 2dao h LEU 19 Cb 0.52 0.62 -0.18 0.00 -0.00 0.00 0.00 40.66 41.62 2dao h LEU 19 CO 0.04 -0.35 0.03 0.28 -0.00 0.00 0.00 178.44 178.43 2dao h SER 20 N -0.28 -0.47 -3.39 -0.43 0.02 -1.25 -3.34 113.55 104.41 2dao h SER 20 Ca 0.16 0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 60.79 2dao h SER 20 Cb 0.57 0.48 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 2dao h SER 20 CO -0.61 -0.34 0.45 -1.81 -1.14 0.00 0.00 176.83 173.37 2dao s ASP 21 N -5.03 6.73 0.23 3.07 1.01 0.01 -4.93 116.67 117.75 2dao s ASP 21 Ca -0.13 0.79 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 2dao s ASP 21 Cb 0.29 -2.42 0.24 0.00 1.01 0.00 0.00 42.92 42.03 2dao s ASP 21 CO 0.78 -0.60 1.69 0.77 0.21 0.00 0.00 175.17 178.02 2dao h SER 22 N 7.99 0.82 -0.79 0.27 4.64 -1.78 -2.77 113.55 121.94 2dao h SER 22 Ca -0.24 -0.24 0.23 0.00 -0.47 0.00 0.00 61.79 61.07 2dao h SER 22 Cb 1.09 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 2dao h SER 22 CO 0.89 0.93 1.02 0.03 -0.87 0.00 0.00 176.83 178.82 2dao h ARG 23 N 0.76 0.00 -0.93 4.77 3.08 -1.91 1.77 114.38 121.91 2dao h ARG 23 Ca 0.13 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.65 2dao h ARG 23 Cb 0.57 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.33 2dao h ARG 23 CO 0.03 0.00 0.61 0.66 -1.07 0.00 0.00 179.97 180.21 2dao n TYR 24 N -3.26 2.93 -0.01 3.04 4.02 -1.04 -4.56 117.16 118.27 2dao n TYR 24 Ca 0.17 -2.17 -0.12 0.00 -0.01 0.00 0.00 57.90 55.77 2dao n TYR 24 Cb 1.27 -1.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.45 2dao n TYR 24 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dao h GLU 25 N 1.31 -0.06 -1.05 -0.72 5.08 0.27 -0.75 114.58 118.65 2dao h GLU 25 Ca 0.59 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 59.23 2dao h GLU 25 Cb 2.15 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.31 2dao h GLU 25 CO 1.17 0.55 0.66 -0.91 -1.00 0.00 0.00 179.01 179.48 2dao h ASN 26 N -0.77 0.49 0.29 1.42 2.35 -1.80 0.54 115.58 118.11 2dao h ASN 26 Ca -0.01 0.11 -0.33 0.00 -0.55 0.00 0.00 56.30 55.52 2dao h ASN 26 Cb 0.64 0.03 0.02 0.00 0.05 0.00 0.00 38.32 39.06 2dao h ASN 26 CO 0.01 0.06 -1.57 -0.26 -1.65 0.00 0.00 177.43 174.02 2dao h PHE 27 N 0.41 0.78 -2.04 1.19 0.04 -1.89 -3.39 116.94 112.04 2dao h PHE 27 Ca 0.63 -0.57 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2dao h PHE 27 Cb 1.53 -0.03 -0.21 0.00 2.20 0.00 0.00 35.95 39.44 2dao h PHE 27 CO -0.00 1.56 0.02 -1.50 -0.60 0.00 0.00 178.31 177.78 2dao s ILE 28 N -2.60 -0.00 0.30 -0.55 2.07 0.18 -0.62 121.20 119.98 2dao s ILE 28 Ca -0.11 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 2dao s ILE 28 Cb 0.05 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.62 2dao s ILE 28 CO 0.90 0.00 0.11 0.00 -1.91 0.00 0.00 174.94 174.04 2dao s ARG 29 N 1.44 1.56 -0.33 3.50 1.70 -1.21 -3.48 118.95 122.13 2dao s ARG 29 Ca -0.08 -1.88 -0.25 0.00 -0.47 0.00 0.00 55.73 53.04 2dao s ARG 29 Cb -0.05 -0.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.97 2dao s ARG 29 CO -0.16 -0.34 0.89 -1.58 -1.08 0.00 0.00 175.30 173.02 2dao s TRP 30 N -3.57 3.14 -0.04 5.89 0.52 -1.26 -3.15 118.94 120.47 2dao s TRP 30 Ca 0.35 0.85 -0.15 0.00 0.02 0.00 0.00 56.10 57.17 2dao s TRP 30 Cb 0.07 -3.47 -0.09 0.00 -1.15 0.00 0.00 33.47 28.83 2dao s TRP 30 CO 0.15 -0.71 0.61 0.93 0.02 0.00 0.00 176.95 177.96 2dao h GLU 31 N 8.26 -0.46 -2.82 4.98 4.39 0.12 -3.42 114.58 125.63 2dao h GLU 31 Ca -0.23 0.03 -0.60 0.00 0.34 0.00 0.00 59.36 58.90 2dao h GLU 31 Cb 1.08 0.11 -0.40 0.00 -0.10 0.00 0.00 28.75 29.44 2dao h GLU 31 CO 0.95 -0.27 -0.78 -0.51 -1.16 0.00 0.00 179.01 177.23 2dao s ASP 32 N -5.02 3.29 0.37 1.42 1.11 -0.35 -4.96 116.67 112.53 2dao s ASP 32 Ca -0.08 -2.68 0.15 0.00 0.18 0.00 0.00 52.55 50.12 2dao s ASP 32 Cb 0.01 -0.86 1.01 0.00 1.07 0.00 0.00 42.92 44.15 2dao s ASP 32 CO 0.25 -0.25 1.76 0.11 1.18 0.00 0.00 175.17 178.22 2dao h LYS 33 N 6.55 0.47 -0.63 8.23 1.79 -1.82 0.54 116.57 131.69 2dao h LYS 33 Ca 0.05 -0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.63 2dao h LYS 33 Cb 0.92 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 2dao h LYS 33 CO 0.44 0.31 0.43 1.05 -1.08 0.00 0.00 179.45 180.60 2dao h GLU 34 N 0.48 0.29 0.00 3.15 9.09 -1.96 -1.40 114.58 124.23 2dao h GLU 34 Ca 0.61 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 60.00 2dao h GLU 34 Cb 1.37 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.40 2dao h GLU 34 CO -0.35 0.19 -0.16 0.43 0.05 0.00 0.00 179.01 179.16 2dao n SER 35 N -4.45 2.11 -4.35 3.06 7.64 0.16 -4.98 113.62 112.81 2dao n SER 35 Ca 0.11 -3.31 -0.35 0.00 1.01 0.00 0.00 58.87 56.34 2dao n SER 35 Cb 0.49 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 2dao n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dao n LYS 36 N -1.31 -1.28 -3.51 1.43 4.76 0.74 -4.34 118.16 114.64 2dao n LYS 36 Ca 0.17 0.16 -0.37 0.00 -2.87 0.00 0.00 58.31 55.39 2dao n LYS 36 Cb 0.66 -4.15 -0.08 0.00 -1.84 0.00 0.00 35.03 29.62 2dao n LYS 36 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dao s ILE 37 N -3.91 5.28 0.32 -0.18 1.01 -0.57 -3.09 121.20 120.06 2dao s ILE 37 Ca 0.32 0.48 0.10 0.00 0.00 0.00 0.00 60.65 61.55 2dao s ILE 37 Cb -0.18 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 2dao s ILE 37 CO 0.99 0.31 -0.11 0.72 0.00 0.00 0.00 174.94 176.85 2dao s PHE 38 N 1.10 2.40 -0.13 3.97 -0.71 -0.73 0.16 117.98 124.04 2dao s PHE 38 Ca 0.14 -0.44 -0.05 0.00 -1.04 0.00 0.00 56.93 55.54 2dao s PHE 38 Cb -0.14 -1.29 0.06 0.00 -1.21 0.00 0.00 43.02 40.45 2dao s PHE 38 CO 0.06 0.61 0.28 0.50 -1.34 0.00 0.00 175.22 175.33 2dao s ARG 39 N -3.60 0.18 -0.64 1.99 3.52 -1.19 -1.99 118.95 117.22 2dao s ARG 39 Ca 0.32 0.75 -0.26 0.00 -0.13 0.00 0.00 55.73 56.41 2dao s ARG 39 Cb -0.00 -0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 2dao s ARG 39 CO 0.17 -0.26 2.12 0.42 -0.81 0.00 0.00 175.30 176.94 2dao s ILE 40 N 2.25 3.21 0.26 4.11 1.01 -1.09 -3.80 121.20 127.15 2dao s ILE 40 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2dao s ILE 40 Cb -0.12 -3.53 0.24 0.00 0.01 0.00 0.00 42.46 39.06 2dao s ILE 40 CO -0.09 -0.51 1.74 0.58 0.00 0.00 0.00 174.94 176.65 2dao h VAL 41 N 7.31 0.65 -3.01 2.92 2.07 -1.12 -3.37 116.25 121.70 2dao h VAL 41 Ca -0.16 -0.18 -0.47 0.00 0.82 0.00 0.00 66.70 66.71 2dao h VAL 41 Cb 1.15 0.09 -0.41 0.00 -1.52 0.00 0.00 31.29 30.60 2dao h VAL 41 CO 1.17 0.09 -0.76 -0.62 0.02 0.00 0.00 177.57 177.48 2dao s ASP 42 N -5.35 2.55 0.29 0.57 -1.08 -1.01 -5.01 116.67 107.62 2dao s ASP 42 Ca -0.12 -0.73 0.07 0.00 -0.52 0.00 0.00 52.55 51.25 2dao s ASP 42 Cb 0.22 -0.26 0.42 0.00 -1.46 0.00 0.00 42.92 41.84 2dao s ASP 42 CO 0.77 -0.36 1.67 1.55 0.52 0.00 0.00 175.17 179.32 2dao h PRO 43 N 8.42 0.21 -0.10 4.34 0.13 -1.88 0.17 132.00 143.28 2dao h PRO 43 Ca -0.16 -0.11 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 2dao h PRO 43 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2dao h PRO 43 CO 0.32 0.63 -0.53 -0.97 -0.23 0.00 0.00 178.00 177.21 2dao h ASN 44 N 0.17 0.32 0.27 1.44 -0.73 -1.96 -2.70 115.58 112.38 2dao h ASN 44 Ca 0.01 -0.17 -0.34 0.00 1.87 0.00 0.00 56.30 57.68 2dao h ASN 44 Cb 0.89 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.36 2dao h ASN 44 CO 0.07 0.79 -1.86 1.23 -0.37 0.00 0.00 177.43 177.30 2dao h GLY 45 N 1.34 0.22 0.82 1.57 0.00 -1.94 -3.36 103.07 101.72 2dao h GLY 45 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2dao h GLY 45 CO 0.09 0.49 -0.40 -2.00 0.00 0.00 0.00 176.54 174.72 2dao h LEU 46 N 0.05 -0.94 -0.99 3.11 7.12 -0.72 -3.04 115.31 119.90 2dao h LEU 46 Ca -0.36 0.03 0.27 0.00 0.13 0.00 0.00 57.88 57.95 2dao h LEU 46 Cb 2.03 0.24 -0.18 0.00 -0.53 0.00 0.00 40.66 42.22 2dao h LEU 46 CO 0.10 -0.64 -0.00 0.00 -0.13 0.00 0.00 178.44 177.76 2dao h ALA 47 N -1.43 1.12 -0.37 1.25 0.00 -1.69 -1.12 119.26 117.01 2dao h ALA 47 Ca -0.11 0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2dao h ALA 47 Cb 0.85 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2dao h ALA 47 CO 0.19 -0.56 -0.22 0.54 0.00 0.00 0.00 179.25 179.20 2dao n ARG 48 N -5.51 -0.16 -0.26 0.00 5.12 -1.15 0.24 116.66 114.94 2dao n ARG 48 Ca 0.23 1.17 0.07 0.00 -1.93 0.00 0.00 57.85 57.38 2dao n ARG 48 Cb 0.74 -1.73 0.20 0.00 -1.16 0.00 0.00 32.46 30.51 2dao n ARG 48 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dao h LEU 49 N 0.00 -0.07 -1.10 0.55 3.38 -1.28 1.07 115.31 117.85 2dao h LEU 49 Ca 0.06 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dao h LEU 49 Cb 0.15 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2dao h LEU 49 CO -0.35 -0.10 0.56 -0.25 0.09 0.00 0.00 178.44 178.39 2dao h TRP 50 N 0.22 1.12 0.00 1.13 2.91 -0.38 -2.03 115.95 118.91 2dao h TRP 50 Ca 0.45 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.48 2dao h TRP 50 Cb 0.81 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 2dao h TRP 50 CO -0.30 0.72 -0.43 0.78 -1.03 0.00 0.00 178.44 178.18 2dao h GLY 51 N 1.20 0.00 0.53 2.65 0.00 0.34 -3.16 103.07 104.63 2dao h GLY 51 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 2dao h GLY 51 CO -0.07 0.00 -0.26 3.43 0.00 0.00 0.00 176.54 179.65 2dao h ASN 52 N 0.00 -0.60 -0.57 0.19 -0.26 0.17 -0.57 115.58 113.94 2dao h ASN 52 Ca 0.00 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 2dao h ASN 52 Cb 0.86 0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 38.26 2dao h ASN 52 CO 0.00 -0.27 0.24 1.12 -1.06 0.00 0.00 177.43 177.46 2dao h HIS 53 N -1.04 0.85 0.00 1.19 2.07 -1.67 -1.59 115.15 114.96 2dao h HIS 53 Ca -0.07 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 2dao h HIS 53 Cb 0.55 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2dao h HIS 53 CO 0.02 0.68 0.03 1.17 -3.07 0.00 0.00 177.93 176.76 2dao n LYS 54 N -4.51 0.02 -3.34 5.12 3.00 -1.19 -4.81 118.16 112.44 2dao n LYS 54 Ca 0.03 0.50 -0.17 0.00 -0.00 0.00 0.00 58.31 58.67 2dao n LYS 54 Cb 0.15 -1.60 0.08 0.00 0.00 0.00 0.00 35.03 33.66 2dao n LYS 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dao n ASN 55 N -1.59 -3.21 -4.95 3.14 3.02 -0.60 -5.02 115.26 106.05 2dao n ASN 55 Ca -0.00 -0.53 -0.22 0.00 -0.03 0.00 0.00 54.58 53.79 2dao n ASN 55 Cb 0.04 -4.62 0.02 0.00 -0.61 0.00 0.00 39.78 34.60 2dao n ASN 55 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2dao s ARG 56 N -5.51 2.36 -0.13 3.52 3.00 -0.24 -5.06 118.95 116.89 2dao s ARG 56 Ca 0.16 -1.75 0.02 0.00 0.00 0.00 0.00 55.73 54.15 2dao s ARG 56 Cb -0.07 -2.39 0.01 0.00 0.00 0.00 0.00 34.95 32.51 2dao s ARG 56 CO 0.65 -0.62 -0.17 0.99 0.00 0.00 0.00 175.30 176.15 2dao s THR 57 N -2.66 1.72 -1.25 0.02 2.01 -1.26 -4.75 115.64 109.47 2dao s THR 57 Ca 0.48 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 2dao s THR 57 Cb -0.04 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.92 2dao s THR 57 CO 0.30 0.48 1.02 -3.20 -0.69 0.00 0.00 174.62 172.53 2dao n ASN 58 N 4.28 -3.01 -4.61 3.53 5.15 -1.26 -4.86 115.26 114.48 2dao n ASN 58 Ca -0.19 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 52.74 2dao n ASN 58 Cb 0.51 -5.00 -0.03 0.00 -0.53 0.00 0.00 39.78 34.73 2dao n ASN 58 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2dao s MET 59 N -5.65 3.28 0.52 1.20 -2.45 -1.26 -4.97 119.30 109.97 2dao s MET 59 Ca 0.15 1.96 0.07 0.00 -1.25 0.00 0.00 55.69 56.61 2dao s MET 59 Cb -0.07 -4.31 0.05 0.00 1.25 0.00 0.00 34.83 31.75 2dao s MET 59 CO 0.74 -1.93 0.72 0.95 1.05 0.00 0.00 175.02 176.54 2dao s THR 60 N 7.61 2.58 0.03 10.11 -4.23 -1.26 -4.38 115.64 126.11 2dao s THR 60 Ca 0.95 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 2dao s THR 60 Cb -0.32 -2.68 -0.34 0.00 1.34 0.00 0.00 72.50 70.51 2dao s THR 60 CO 0.35 0.00 1.02 0.22 -0.54 0.00 0.00 174.62 175.67 2dao h TYR 61 N 0.27 0.97 -1.00 3.99 3.20 -1.93 -3.17 116.97 119.30 2dao h TYR 61 Ca -0.37 -0.68 0.11 0.00 3.14 0.00 0.00 58.73 60.93 2dao h TYR 61 Cb 1.28 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.42 2dao h TYR 61 CO 0.34 1.53 0.63 1.49 -1.64 0.00 0.00 178.16 180.51 2dao h GLU 62 N 0.14 0.98 0.00 1.82 4.22 -1.96 0.37 114.58 120.15 2dao h GLU 62 Ca -0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.13 2dao h GLU 62 Cb 2.07 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 2dao h GLU 62 CO 0.26 0.65 -0.07 0.87 -2.18 0.00 0.00 179.01 178.54 2dao h LYS 63 N 1.01 0.00 0.00 1.92 1.57 -1.93 -3.19 116.57 115.95 2dao h LYS 63 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2dao h LYS 63 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2dao h LYS 63 CO -0.24 0.07 -0.16 1.98 -0.57 0.00 0.00 179.45 180.53 2dao h MET 64 N 0.00 0.00 -1.24 3.15 4.05 -0.67 -3.36 114.93 116.86 2dao h MET 64 Ca -0.00 0.00 0.36 0.00 -0.28 0.00 0.00 59.70 59.78 2dao h MET 64 Cb 0.73 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.48 2dao h MET 64 CO 0.01 0.00 1.26 -1.13 0.23 0.00 0.00 176.91 177.28 2dao n SER 65 N -3.24 0.00 -0.28 1.39 3.41 0.10 -0.60 113.62 114.40 2dao n SER 65 Ca -0.02 0.80 0.01 0.00 -0.26 0.00 0.00 58.87 59.40 2dao n SER 65 Cb 0.08 -0.31 0.08 0.00 -0.26 0.00 0.00 64.21 63.80 2dao n SER 65 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dao h ARG 66 N 0.00 -0.03 0.34 4.33 2.47 -1.70 -1.62 114.38 118.17 2dao h ARG 66 Ca 0.59 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.30 2dao h ARG 66 Cb 3.10 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 31.43 2dao h ARG 66 CO -0.01 -0.02 -0.20 0.00 0.56 0.00 0.00 179.97 180.30 2dao h ALA 67 N 1.62 -1.07 -0.77 0.04 0.00 -1.11 -2.63 119.26 115.35 2dao h ALA 67 Ca 0.36 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.36 2dao h ALA 67 Cb 0.59 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2dao h ALA 67 CO -0.83 -1.05 -0.03 1.28 0.00 0.00 0.00 179.25 178.63 2dao n LEU 68 N -3.54 -0.13 0.12 0.00 7.99 -0.87 -0.62 117.00 119.96 2dao n LEU 68 Ca -0.06 1.31 -0.06 0.00 -0.01 0.00 0.00 56.01 57.18 2dao n LEU 68 Cb 0.21 -0.46 -0.03 0.00 -0.11 0.00 0.00 43.42 43.03 2dao n LEU 68 CO 0.15 -1.31 0.51 -0.09 -1.51 0.00 0.00 177.39 175.14 2dao h ARG 69 N 0.00 -0.35 -1.57 3.23 9.65 -1.12 -0.28 114.38 123.94 2dao h ARG 69 Ca 0.45 0.02 0.49 0.00 -1.10 0.00 0.00 59.98 59.84 2dao h ARG 69 Cb 0.88 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.43 2dao h ARG 69 CO -0.74 -0.23 1.08 0.45 2.80 0.00 0.00 179.97 183.33 2dao h HIS 70 N -0.36 0.28 -0.00 2.20 3.86 -0.50 1.82 115.15 122.45 2dao h HIS 70 Ca -0.03 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 2dao h HIS 70 Cb 0.30 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2dao h HIS 70 CO -0.04 -0.12 -0.92 1.88 0.86 0.00 0.00 177.93 179.58 2dao h TYR 71 N 0.03 0.56 -0.69 2.45 0.05 -0.68 -3.31 116.97 115.38 2dao h TYR 71 Ca 0.86 -0.30 0.12 0.00 0.05 0.00 0.00 58.73 59.46 2dao h TYR 71 Cb 3.06 -0.06 -0.13 0.00 1.01 0.00 0.00 36.73 40.61 2dao h TYR 71 CO -0.00 1.12 -0.33 1.88 -1.05 0.00 0.00 178.16 179.77 2dao h TYR 72 N 0.21 -0.91 -0.10 4.88 0.05 0.46 0.92 116.97 122.48 2dao h TYR 72 Ca -0.07 0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2dao h TYR 72 Cb 1.55 0.50 -0.00 0.00 1.01 0.00 0.00 36.73 39.79 2dao h TYR 72 CO 0.05 -0.38 0.08 0.87 -1.05 0.00 0.00 178.16 177.74 2dao h LYS 73 N -0.11 0.00 -0.25 4.88 6.56 -1.64 0.12 116.57 126.13 2dao h LYS 73 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2dao h LYS 73 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 2dao h LYS 73 CO -0.75 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 177.92 2dao n LEU 74 N -4.18 0.41 -3.71 2.94 4.77 0.32 -4.86 117.00 112.70 2dao n LEU 74 Ca -0.01 -0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.52 2dao n LEU 74 Cb 0.19 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2dao n LEU 74 CO 0.31 0.10 0.14 0.59 -1.33 0.00 0.00 177.39 177.20 2dao n ASN 75 N -0.30 -4.59 -0.09 -1.43 4.13 0.42 -4.90 115.26 108.50 2dao n ASN 75 Ca 0.01 -0.67 -0.12 0.00 1.68 0.00 0.00 54.58 55.48 2dao n ASN 75 Cb 0.09 -4.51 -0.08 0.00 -1.54 0.00 0.00 39.78 33.74 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2dao n ILE 76 N -4.69 1.02 -3.89 2.41 5.41 -1.12 -3.85 119.36 114.65 2dao n ILE 76 Ca -0.06 -0.40 -0.11 0.00 1.00 0.00 0.00 62.75 63.18 2dao n ILE 76 Cb 0.58 -1.10 -0.12 0.00 -0.71 0.00 0.00 39.64 38.28 2dao n ILE 76 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2dao s ILE 77 N -2.36 0.05 -0.21 1.39 1.01 -1.26 -2.80 121.20 117.02 2dao s ILE 77 Ca -0.23 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2dao s ILE 77 Cb 0.06 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 42.36 2dao s ILE 77 CO 0.42 -0.21 -0.17 -0.13 0.00 0.00 0.00 174.94 174.86 2dao s ARG 78 N -0.64 2.77 -0.90 2.79 0.52 -1.06 -4.18 118.95 118.24 2dao s ARG 78 Ca -0.07 -0.99 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 2dao s ARG 78 Cb -0.04 -2.69 0.09 0.00 0.52 0.00 0.00 34.95 32.83 2dao s ARG 78 CO 0.00 -0.32 1.23 0.21 0.02 0.00 0.00 175.30 176.43 2dao s LYS 79 N 1.24 3.48 0.20 3.54 2.20 -1.26 -2.27 119.74 126.88 2dao s LYS 79 Ca 0.01 -1.27 -0.31 0.00 -0.36 0.00 0.00 55.97 54.04 2dao s LYS 79 Cb -0.15 -4.90 -0.16 0.00 -1.51 0.00 0.00 37.83 31.11 2dao s LYS 79 CO -0.10 -1.96 0.95 0.39 -0.36 0.00 0.00 175.35 174.27 2dao n GLU 80 N 7.77 0.85 0.01 4.03 1.02 -1.22 -4.90 120.64 128.20 2dao n GLU 80 Ca 0.21 0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 2dao n GLU 80 Cb 0.49 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 2dao n GLU 80 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dao h PRO 81 N 2.35 -0.05 -0.60 3.49 0.13 -1.94 -3.32 132.00 132.05 2dao h PRO 81 Ca -0.39 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.82 2dao h PRO 81 Cb 1.37 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.41 2dao h PRO 81 CO 0.64 0.41 -0.51 0.78 -0.23 0.00 0.00 178.00 179.09 2dao h GLY 82 N -0.54 -0.74 -0.86 1.56 0.00 -2.02 -3.41 103.07 97.06 2dao h GLY 82 Ca -0.01 0.67 -0.44 0.00 0.00 0.00 0.00 47.33 47.55 2dao h GLY 82 CO 0.01 -0.11 0.43 1.20 0.00 0.00 0.00 176.54 178.07 2dao s GLN 83 N -5.70 0.45 0.00 4.80 1.11 -1.25 -5.07 119.66 114.00 2dao s GLN 83 Ca -0.14 -0.49 0.00 0.00 0.01 0.00 0.00 55.36 54.74 2dao s GLN 83 Cb 0.11 -1.83 0.00 0.00 -1.01 0.00 0.00 33.01 30.28 2dao s GLN 83 CO 0.64 -2.53 0.00 0.54 0.01 0.00 0.00 175.29 173.95 2dao n ARG 84 N -3.83 0.00 -1.59 2.91 5.12 -1.26 -4.72 116.66 113.29 2dao n ARG 84 Ca 0.16 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.78 2dao n ARG 84 Cb 0.59 -0.33 -0.03 0.00 -1.16 0.00 0.00 32.46 31.53 2dao n ARG 84 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dao n LEU 85 N -2.33 6.77 -4.72 0.55 4.32 -1.26 -4.91 117.00 115.41 2dao n LEU 85 Ca 0.00 -4.26 -0.35 0.00 -0.02 0.00 0.00 56.01 51.38 2dao n LEU 85 Cb 0.00 -1.18 -0.08 0.00 -1.62 0.00 0.00 43.42 40.53 2dao n LEU 85 CO 0.00 1.73 -0.23 -0.22 -1.22 0.00 0.00 177.39 177.44 2dao s LEU 86 N -2.70 3.96 -0.01 2.23 1.98 -1.26 -2.66 118.68 120.22 2dao s LEU 86 Ca 0.57 0.22 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 2dao s LEU 86 Cb 0.40 -1.97 0.01 0.00 0.66 0.00 0.00 46.19 45.28 2dao s LEU 86 CO -0.27 0.29 -0.00 -0.36 -1.89 0.00 0.00 176.35 174.12 2dao s PHE 87 N -0.32 0.13 -0.23 5.38 0.08 -0.84 -3.40 117.98 118.77 2dao s PHE 87 Ca 0.09 0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2dao s PHE 87 Cb -0.12 -0.15 0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2dao s PHE 87 CO 0.02 -0.04 -0.14 0.50 -0.10 0.00 0.00 175.22 175.46 2dao s ARG 88 N 0.33 2.54 -1.03 0.44 3.00 -0.96 -1.77 118.95 121.50 2dao s ARG 88 Ca -0.03 -1.14 -0.24 0.00 -1.00 0.00 0.00 55.73 53.32 2dao s ARG 88 Cb -0.05 -2.79 -0.06 0.00 0.00 0.00 0.00 34.95 32.06 2dao s ARG 88 CO -0.01 -0.43 1.91 -0.06 0.00 0.00 0.00 175.30 176.71 2dao s PHE 89 N 1.18 1.92 0.00 5.12 0.08 -1.18 -2.56 117.98 122.55 2dao s PHE 89 Ca -0.03 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2dao s PHE 89 Cb -0.17 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 2dao s PHE 89 CO -0.08 -1.54 0.53 -1.33 -0.10 0.00 0.00 175.22 172.70 2dao n MET 90 N 8.62 0.00 -1.60 0.44 2.81 -1.12 -4.80 117.12 121.47 2dao n MET 90 Ca 0.42 0.22 -0.34 0.00 -1.81 0.00 0.00 57.70 56.19 2dao n MET 90 Cb 0.47 -1.09 0.07 0.00 -0.71 0.00 0.00 33.22 31.96 2dao n MET 90 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2dao s LYS 91 N -1.50 2.42 0.11 0.03 2.47 -1.25 -4.94 119.74 117.08 2dao s LYS 91 Ca 0.00 1.68 -0.31 0.00 -1.56 0.00 0.00 55.97 55.78 2dao s LYS 91 Cb 0.00 -1.88 -0.08 0.00 -1.46 0.00 0.00 37.83 34.41 2dao s LYS 91 CO 0.00 -1.60 1.44 0.99 0.16 0.00 0.00 175.35 176.33 2dao s THR 92 N -2.01 3.21 0.28 3.43 2.01 -1.26 -4.92 115.64 116.38 2dao s THR 92 Ca 0.73 0.84 0.06 0.00 0.31 0.00 0.00 61.69 63.63 2dao s THR 92 Cb -0.27 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.72 2dao s THR 92 CO 0.42 0.06 1.67 1.55 -0.69 0.00 0.00 174.62 177.62 2dao h PRO 93 N 6.98 0.23 0.00 4.92 0.13 -1.93 -2.77 132.00 139.56 2dao h PRO 93 Ca -0.42 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2dao h PRO 93 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dao h PRO 93 CO 0.88 0.65 0.00 -0.44 -0.23 0.00 0.00 178.00 178.86 2dao h ASP 94 N 0.19 0.00 -0.03 1.44 3.32 -2.02 -2.88 116.42 116.45 2dao h ASP 94 Ca 0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2dao h ASP 94 Cb 0.89 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2dao h ASP 94 CO 0.07 0.00 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.83 2dao h GLU 95 N 0.00 0.56 -0.15 3.56 4.39 -1.84 -3.18 114.58 117.91 2dao h GLU 95 Ca 0.00 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.24 2dao h GLU 95 Cb 0.52 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2dao h GLU 95 CO 0.00 0.88 -0.57 0.82 -1.16 0.00 0.00 179.01 178.98 2dao h ILE 96 N 0.45 1.32 -0.72 3.13 5.03 -1.61 -3.24 117.51 121.88 2dao h ILE 96 Ca 0.03 -1.82 0.30 0.00 -0.12 0.00 0.00 64.86 63.25 2dao h ILE 96 Cb 0.93 2.01 -0.13 0.00 -3.03 0.00 0.00 36.82 36.61 2dao h ILE 96 CO 0.08 0.57 0.40 0.23 -0.68 0.00 0.00 178.15 178.75 2dao n MET 97 N -4.12 -0.04 -5.16 2.37 2.81 -1.19 -3.96 117.12 107.82 2dao n MET 97 Ca -0.07 0.97 -0.32 0.00 -1.81 0.00 0.00 57.70 56.47 2dao n MET 97 Cb 0.64 -1.75 -0.16 0.00 -0.71 0.00 0.00 33.22 31.23 2dao n MET 97 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dao s SER 98 N -4.64 3.28 0.01 7.83 0.01 -1.22 -5.10 113.70 113.87 2dao s SER 98 Ca -0.06 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 2dao s SER 98 Cb 0.24 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.47 2dao s SER 98 CO 0.55 0.23 0.13 0.61 0.41 0.00 0.00 173.24 175.17 2dao n GLY 99 N 3.03 0.95 3.91 3.44 0.00 -1.25 -4.91 105.19 110.34 2dao n GLY 99 Ca -0.18 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2dao n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dao s ARG 100 N -2.00 2.27 0.05 1.61 0.52 -1.26 -5.04 118.95 115.10 2dao s ARG 100 Ca 0.03 -1.97 -0.09 0.00 -0.52 0.00 0.00 55.73 53.18 2dao s ARG 100 Cb -0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 2dao s ARG 100 CO 0.00 -0.60 1.07 2.41 0.02 0.00 0.00 175.30 178.20 2dao n THR 101 N -1.78 -0.20 -2.04 0.02 -1.04 -1.26 -2.88 114.28 105.10 2dao n THR 101 Ca -0.00 1.64 -0.27 0.00 -2.04 0.00 0.00 64.05 63.37 2dao n THR 101 Cb 0.64 -2.11 -0.06 0.00 -1.82 0.00 0.00 70.33 66.98 2dao n THR 101 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2dao s ASP 102 N -3.79 4.96 0.19 8.00 1.47 -1.26 -4.81 116.67 121.43 2dao s ASP 102 Ca -0.04 -1.56 -0.02 0.00 1.18 0.00 0.00 52.55 52.12 2dao s ASP 102 Cb 0.03 -2.59 0.01 0.00 -0.34 0.00 0.00 42.92 40.03 2dao s ASP 102 CO 0.18 -3.14 0.29 0.54 0.68 0.00 0.00 175.17 173.72 2dao n ARG 103 N 8.32 0.42 -1.68 2.11 5.12 -1.14 -5.05 116.66 124.75 2dao n ARG 103 Ca 0.44 -1.40 -0.17 0.00 -1.93 0.00 0.00 57.85 54.79 2dao n ARG 103 Cb 0.47 1.42 -0.10 0.00 -1.16 0.00 0.00 32.46 33.08 2dao n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2dao s LEU 104 N 0.00 2.48 0.00 0.55 2.96 -1.26 -4.78 118.68 118.63 2dao s LEU 104 Ca 0.14 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.02 2dao s LEU 104 Cb -0.01 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 2dao s LEU 104 CO 0.10 -4.49 0.19 -0.62 -1.32 0.00 0.00 176.35 170.22 2dao n GLU 105 N 8.21 0.28 -1.84 1.98 -0.58 -1.26 -4.87 120.64 122.56 2dao n GLU 105 Ca 0.42 -1.60 -0.08 0.00 -0.42 0.00 0.00 57.16 55.48 2dao n GLU 105 Cb 0.47 1.41 -0.02 0.00 -0.57 0.00 0.00 31.44 32.73 2dao n GLU 105 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2dao n HIS 106 N -0.32 -1.14 0.00 -0.32 8.25 -1.26 -4.59 115.22 115.84 2dao n HIS 106 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2dao n HIS 106 Cb 0.31 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.42 2dao n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dao n LEU 107 N -2.10 0.34 -0.38 2.41 4.77 -1.26 -4.34 117.00 116.44 2dao n LEU 107 Ca -0.08 0.00 0.31 0.00 -0.03 0.00 0.00 56.01 56.20 2dao n LEU 107 Cb 0.41 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.07 2dao n LEU 107 CO 0.11 0.06 1.17 1.05 -1.33 0.00 0.00 177.39 178.45 2dao h GLU 108 N 0.00 0.17 0.00 3.23 -0.00 -1.90 -2.33 114.58 113.74 2dao h GLU 108 Ca 0.00 -0.01 -0.37 0.00 -0.00 0.00 0.00 59.36 58.98 2dao h GLU 108 Cb 0.53 -0.04 -0.06 0.00 -0.00 0.00 0.00 28.75 29.19 2dao h GLU 108 CO 0.00 0.11 -2.29 -1.13 -0.00 0.00 0.00 179.01 175.71 2dao n SER 109 N -4.89 1.86 -0.35 3.06 3.41 -1.26 -4.48 113.62 110.97 2dao n SER 109 Ca 0.34 0.15 0.30 0.00 -0.26 0.00 0.00 58.87 59.41 2dao n SER 109 Cb 1.22 -0.58 0.50 0.00 -0.26 0.00 0.00 64.21 65.09 2dao n SER 109 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2dao n GLN 110 N -3.75 -0.02 -0.54 4.33 7.27 -0.97 0.23 117.38 123.93 2dao n GLN 110 Ca -0.44 0.89 -0.07 0.00 0.07 0.00 0.00 57.00 57.46 2dao n GLN 110 Cb 0.85 -1.78 0.03 0.00 2.41 0.00 0.00 30.24 31.75 2dao n GLN 110 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2dao n GLU 111 N -4.06 1.34 -3.69 3.69 4.71 -0.92 -4.82 120.64 116.89 2dao n GLU 111 Ca 0.29 -0.70 -0.10 0.00 -0.01 0.00 0.00 57.16 56.65 2dao n GLU 111 Cb 1.16 -1.27 -0.04 0.00 -1.01 0.00 0.00 31.44 30.27 2dao n GLU 111 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2dao s LEU 112 N -0.80 0.26 -1.17 -4.62 1.43 0.64 -4.66 118.68 109.77 2dao s LEU 112 Ca 0.14 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 2dao s LEU 112 Cb 0.11 1.96 0.02 0.00 0.03 0.00 0.00 46.19 48.31 2dao s LEU 112 CO 0.01 -0.94 1.72 -0.55 0.23 0.00 0.00 176.35 176.82 2dao s SER 113 N -2.84 6.24 0.06 2.29 0.15 -1.26 -4.92 113.70 113.41 2dao s SER 113 Ca 0.06 -1.87 0.04 0.00 0.70 0.00 0.00 55.95 54.88 2dao s SER 113 Cb 0.01 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 2dao s SER 113 CO -0.07 -1.77 -0.11 -0.83 1.20 0.00 0.00 173.24 171.65 2dao s GLY 114 N 5.23 0.69 -0.94 9.45 0.00 -1.26 -5.07 107.32 115.41 2dao s GLY 114 Ca 0.56 -0.88 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 2dao s GLY 114 CO 0.03 -0.92 1.95 2.56 0.00 0.00 0.00 173.10 176.73 2dao s PRO 115 N -1.63 2.54 -0.31 2.90 0.04 -1.26 -4.93 135.00 132.35 2dao s PRO 115 Ca -0.06 -0.40 -0.07 0.00 0.04 0.00 0.00 61.00 60.51 2dao s PRO 115 Cb -0.10 -5.09 0.02 0.00 0.04 0.00 0.00 34.50 29.37 2dao s PRO 115 CO 0.01 -3.46 0.09 -1.54 0.04 0.00 0.00 177.00 172.14 2dao s SER 116 N 7.84 5.19 0.19 6.66 1.04 -1.26 -5.06 113.70 128.29 2dao s SER 116 Ca 0.70 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 56.04 2dao s SER 116 Cb -0.06 -1.88 0.05 0.00 0.10 0.00 0.00 66.02 64.23 2dao s SER 116 CO 0.01 -0.24 0.82 -0.44 0.98 0.00 0.00 173.24 174.37 2dao s SER 117 N 1.47 -0.27 0.00 7.02 0.01 -1.26 -5.22 113.70 115.44 2dao s SER 117 Ca 0.01 -0.40 0.18 0.00 1.31 0.00 0.00 55.95 57.05 2dao s SER 117 Cb -0.18 0.59 0.14 0.00 0.21 0.00 0.00 66.02 66.78 2dao s SER 117 CO 0.03 -1.06 1.07 0.61 0.41 0.00 0.00 173.24 174.30