#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfg n GLY 2 N 0.00 0.00 3.57 -0.02 0.00 -1.26 -4.79 105.19 102.69 2gfg n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2gfg n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gfg s LYS 3 N -0.53 2.46 0.02 1.61 1.02 -1.26 0.32 119.74 123.38 2gfg s LYS 3 Ca 0.00 -0.78 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 2gfg s LYS 3 Cb 0.00 -2.44 0.05 0.00 -0.52 0.00 0.00 37.83 34.92 2gfg s LYS 3 CO 0.00 0.59 0.52 -1.83 -0.92 0.00 0.00 175.35 173.71 2gfg s GLU 4 N -1.47 0.99 -0.20 1.68 -1.05 0.15 -5.00 118.70 113.80 2gfg s GLU 4 Ca 0.17 -0.12 -0.17 0.00 -0.15 0.00 0.00 54.97 54.70 2gfg s GLU 4 Cb -0.11 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2gfg s GLU 4 CO 0.08 -0.34 0.47 0.42 0.95 0.00 0.00 175.26 176.84 2gfg s ILE 5 N -2.00 5.15 -0.43 1.83 -1.09 -1.26 0.01 121.20 123.41 2gfg s ILE 5 Ca -0.08 0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 59.05 2gfg s ILE 5 Cb -0.01 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2gfg s ILE 5 CO 0.02 0.21 0.31 -0.70 -1.23 0.00 0.00 174.94 173.55 2gfg s GLU 6 N 1.48 2.90 -0.35 2.79 2.12 0.15 -4.95 118.70 122.84 2gfg s GLU 6 Ca 0.22 -1.21 -0.11 0.00 0.36 0.00 0.00 54.97 54.22 2gfg s GLU 6 Cb -0.15 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2gfg s GLU 6 CO 0.09 -0.87 0.20 0.42 -0.54 0.00 0.00 175.26 174.56 2gfg s ILE 7 N 1.61 4.80 -0.02 -3.70 -1.09 -1.26 -2.11 121.20 119.42 2gfg s ILE 7 Ca 0.04 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 2gfg s ILE 7 Cb -0.22 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2gfg s ILE 7 CO 0.07 -0.08 -0.04 -0.70 -1.23 0.00 0.00 174.94 172.96 2gfg s GLU 8 N 1.62 0.52 0.10 2.79 2.12 -1.26 -0.10 118.70 124.49 2gfg s GLU 8 Ca 0.04 -0.11 0.10 0.00 0.36 0.00 0.00 54.97 55.36 2gfg s GLU 8 Cb -0.18 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.62 2gfg s GLU 8 CO 0.08 0.01 -0.25 1.03 -0.54 0.00 0.00 175.26 175.58 2gfg s ARG 9 N 0.41 1.61 -0.05 4.30 1.81 -0.15 -4.98 118.95 121.90 2gfg s ARG 9 Ca -0.05 -1.23 -0.25 0.00 -1.72 0.00 0.00 55.73 52.48 2gfg s ARG 9 Cb -0.08 -1.97 0.05 0.00 -0.45 0.00 0.00 34.95 32.50 2gfg s ARG 9 CO -0.00 0.48 0.55 -1.59 -0.68 0.00 0.00 175.30 174.05 2gfg s LYS 10 N -1.80 0.90 -0.13 3.54 -2.85 -1.26 0.31 119.74 118.45 2gfg s LYS 10 Ca 0.14 0.15 -0.22 0.00 -1.00 0.00 0.00 55.97 55.04 2gfg s LYS 10 Cb -0.10 0.42 0.05 0.00 -2.06 0.00 0.00 37.83 36.14 2gfg s LYS 10 CO 0.05 -0.26 0.56 -0.08 0.10 0.00 0.00 175.35 175.72 2gfg s THR 11 N -1.13 0.01 0.53 3.79 -1.32 -0.70 -4.81 115.64 112.00 2gfg s THR 11 Ca -0.11 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.09 2gfg s THR 11 Cb -0.02 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.08 2gfg s THR 11 CO 0.07 -0.05 1.07 -0.76 -2.21 0.00 0.00 174.62 172.75 2gfg s LEU 12 N -0.43 3.75 0.15 9.08 1.43 -1.26 -1.83 118.68 129.56 2gfg s LEU 12 Ca -0.06 2.00 -0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2gfg s LEU 12 Cb -0.03 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 2gfg s LEU 12 CO 0.04 -1.01 0.04 0.68 0.23 0.00 0.00 176.35 176.33 2gfg s VAL 13 N -1.99 0.30 0.86 -1.59 -7.23 -0.41 -4.64 120.40 105.71 2gfg s VAL 13 Ca 0.69 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2gfg s VAL 13 Cb -0.19 -2.09 0.11 0.00 0.56 0.00 0.00 36.38 34.76 2gfg s VAL 13 CO 0.25 -0.45 1.11 -0.94 -0.31 0.00 0.00 175.10 174.77 2gfg s SER 14 N -3.10 3.95 0.14 4.85 1.04 -1.26 -4.06 113.70 115.27 2gfg s SER 14 Ca 0.25 1.18 -0.17 0.00 0.48 0.00 0.00 55.95 57.69 2gfg s SER 14 Cb 0.07 -1.84 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 2gfg s SER 14 CO 0.03 -2.30 1.79 0.50 0.98 0.00 0.00 173.24 174.24 2gfg h LYS 15 N -1.32 0.48 -0.47 4.02 3.64 -1.99 -0.85 116.57 120.08 2gfg h LYS 15 Ca -0.49 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.73 2gfg h LYS 15 Cb 1.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2gfg h LYS 15 CO 0.60 0.34 -0.20 1.05 -2.27 0.00 0.00 179.45 178.97 2gfg h GLU 16 N 0.47 0.94 -0.36 1.90 9.09 -1.99 -0.84 114.58 123.79 2gfg h GLU 16 Ca 0.13 -0.39 -0.04 0.00 0.05 0.00 0.00 59.36 59.11 2gfg h GLU 16 Cb -0.02 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2gfg h GLU 16 CO -0.03 1.05 0.08 1.15 0.05 0.00 0.00 179.01 181.31 2gfg h THR 17 N 0.81 1.23 -0.35 -1.06 2.02 -1.92 -0.96 112.91 112.68 2gfg h THR 17 Ca 0.11 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.54 2gfg h THR 17 Cb 0.76 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 2gfg h THR 17 CO 0.06 0.27 0.11 0.15 0.37 0.00 0.00 175.52 176.48 2gfg h PHE 18 N 0.44 0.20 -0.40 3.16 3.57 -1.00 0.07 116.94 122.98 2gfg h PHE 18 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2gfg h PHE 18 Cb 0.33 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2gfg h PHE 18 CO 0.02 0.08 0.07 -0.22 -2.23 0.00 0.00 178.31 176.02 2gfg h LYS 19 N 0.25 0.60 -0.40 1.11 3.64 -1.05 -1.58 116.57 119.15 2gfg h LYS 19 Ca 0.16 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2gfg h LYS 19 Cb 0.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2gfg h LYS 19 CO -0.18 0.58 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.24 2gfg h ARG 20 N 0.58 0.88 -0.46 1.90 2.43 -0.61 -2.89 114.38 116.22 2gfg h ARG 20 Ca 0.13 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 2gfg h ARG 20 Cb 0.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2gfg h ARG 20 CO 0.00 1.06 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.42 2gfg h LEU 21 N 0.69 0.75 -0.56 3.80 3.38 -0.58 -0.34 115.31 122.44 2gfg h LEU 21 Ca 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2gfg h LEU 21 Cb 0.83 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2gfg h LEU 21 CO 0.07 0.83 0.35 0.40 0.09 0.00 0.00 178.44 180.18 2gfg h ILE 22 N 0.72 1.09 0.02 1.22 2.04 -1.30 -1.60 117.51 119.70 2gfg h ILE 22 Ca 0.14 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2gfg h ILE 22 Cb 0.48 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2gfg h ILE 22 CO 0.02 0.13 -0.01 -1.28 0.00 0.00 0.00 178.15 177.01 2gfg h SER 23 N 0.70 -0.03 0.34 1.72 0.87 -1.25 -0.54 113.55 115.37 2gfg h SER 23 Ca 0.22 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.35 2gfg h SER 23 Cb -0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2gfg h SER 23 CO -0.08 0.30 -0.51 1.56 -0.53 0.00 0.00 176.83 177.56 2gfg h GLN 24 N -0.35 0.19 -0.01 2.24 4.20 -1.05 -1.70 115.11 118.63 2gfg h GLN 24 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2gfg h GLN 24 Cb 0.34 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2gfg h GLN 24 CO 0.01 0.66 0.00 1.28 -0.67 0.00 0.00 178.83 180.11 2gfg n LEU 25 N -3.94 0.38 -3.69 1.46 4.77 -0.61 -4.94 117.00 110.44 2gfg n LEU 25 Ca -0.02 -0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.58 2gfg n LEU 25 Cb 0.55 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2gfg n LEU 25 CO 0.43 0.07 0.14 1.41 -1.33 0.00 0.00 177.39 178.10 2gfg n HIS 26 N -0.67 -2.45 -3.28 -1.77 8.25 -0.64 -4.98 115.22 109.67 2gfg n HIS 26 Ca 0.21 0.95 -0.39 0.00 -0.26 0.00 0.00 57.72 58.23 2gfg n HIS 26 Cb 0.17 -4.62 -0.06 0.00 1.12 0.00 0.00 29.99 26.59 2gfg n HIS 26 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gfg s ILE 27 N -3.37 5.14 0.60 1.59 1.01 -0.23 -5.05 121.20 120.89 2gfg s ILE 27 Ca 0.43 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 61.93 2gfg s ILE 27 Cb -0.20 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2gfg s ILE 27 CO 0.77 0.24 0.96 -0.83 0.00 0.00 0.00 174.94 176.08 2gfg s GLY 28 N 0.94 1.60 0.27 6.18 0.00 -1.26 -4.72 107.32 110.34 2gfg s GLY 28 Ca 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 2gfg s GLY 28 CO 0.10 -0.07 1.91 0.83 0.00 0.00 0.00 173.10 175.87 2gfg h GLU 29 N -0.22 1.17 0.00 2.90 4.39 -1.97 -2.47 114.58 118.38 2gfg h GLU 29 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2gfg h GLU 29 Cb 1.21 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2gfg h GLU 29 CO 0.62 0.78 0.00 0.41 -1.16 0.00 0.00 179.01 179.66 2gfg n GLY 30 N -1.38 -1.29 0.20 -3.84 0.00 -1.26 -2.35 105.19 95.26 2gfg n GLY 30 Ca 0.13 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2gfg n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gfg h ASP 31 N 0.00 0.00 -2.98 1.61 3.32 -1.82 -3.43 116.42 113.11 2gfg h ASP 31 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2gfg h ASP 31 Cb 0.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2gfg h ASP 31 CO 0.00 0.28 0.81 -0.36 -1.72 0.00 0.00 179.24 178.25 2gfg s PHE 32 N -3.51 2.97 -0.01 4.55 0.08 -0.99 -4.44 117.98 116.63 2gfg s PHE 32 Ca 0.01 1.06 0.03 0.00 0.12 0.00 0.00 56.93 58.15 2gfg s PHE 32 Cb 0.10 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.02 2gfg s PHE 32 CO 0.66 -1.66 -0.08 0.15 -0.10 0.00 0.00 175.22 174.19 2gfg s LYS 33 N 2.86 2.54 -0.09 0.44 -0.14 0.44 -4.82 119.74 120.97 2gfg s LYS 33 Ca 0.57 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 54.33 2gfg s LYS 33 Cb -0.24 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 2gfg s LYS 33 CO 0.19 0.61 0.33 -1.17 -0.76 0.00 0.00 175.35 174.55 2gfg s LEU 34 N -1.30 4.35 0.04 3.17 2.96 -1.26 -0.37 118.68 126.28 2gfg s LEU 34 Ca 0.16 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2gfg s LEU 34 Cb -0.11 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2gfg s LEU 34 CO 0.06 0.22 -0.04 0.00 -1.32 0.00 0.00 176.35 175.27 2gfg s GLN 35 N -0.31 0.45 -0.13 1.98 -2.07 0.21 -4.42 119.66 115.37 2gfg s GLN 35 Ca 0.20 -0.82 0.02 0.00 -1.82 0.00 0.00 55.36 52.94 2gfg s GLN 35 Cb -0.14 0.02 0.01 0.00 -1.09 0.00 0.00 33.01 31.81 2gfg s GLN 35 CO 0.08 -0.04 -0.21 1.03 -1.32 0.00 0.00 175.29 174.83 2gfg s ARG 36 N -2.16 3.06 -0.35 9.60 0.52 -0.26 -0.49 118.95 128.88 2gfg s ARG 36 Ca -0.08 -0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 2gfg s ARG 36 Cb -0.05 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 33.00 2gfg s ARG 36 CO -0.03 0.03 0.17 -0.80 0.02 0.00 0.00 175.30 174.69 2gfg s ASN 37 N 0.71 5.59 -0.30 0.23 0.01 0.35 -0.79 114.94 120.74 2gfg s ASN 37 Ca -0.09 -0.84 -0.15 0.00 -0.71 0.00 0.00 52.86 51.07 2gfg s ASN 37 Cb -0.16 -1.99 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 2gfg s ASN 37 CO 0.01 -0.31 0.37 -1.00 -1.51 0.00 0.00 177.10 174.66 2gfg s HIS 38 N 1.55 3.22 -0.01 2.20 3.76 -0.06 -0.82 115.29 125.14 2gfg s HIS 38 Ca 0.02 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 2gfg s HIS 38 Cb -0.18 -2.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.83 2gfg s HIS 38 CO 0.06 -0.32 0.31 0.71 -0.85 0.00 0.00 174.74 174.65 2gfg s TYR 39 N 2.05 3.64 -0.00 1.40 2.02 0.27 -0.79 117.35 125.94 2gfg s TYR 39 Ca 0.13 0.75 0.08 0.00 -0.37 0.00 0.00 57.07 57.66 2gfg s TYR 39 Cb -0.16 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 2gfg s TYR 39 CO 0.11 0.63 -0.24 -0.06 -1.57 0.00 0.00 175.55 174.43 2gfg s PHE 40 N -1.19 2.10 -0.06 2.71 0.08 -0.63 -0.95 117.98 120.04 2gfg s PHE 40 Ca 0.25 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 2gfg s PHE 40 Cb -0.14 -1.32 0.11 0.00 -0.57 0.00 0.00 43.02 41.09 2gfg s PHE 40 CO 0.13 0.01 0.90 -2.00 -0.10 0.00 0.00 175.22 174.15 2gfg s GLU 41 N -0.74 0.78 0.72 0.44 2.56 -0.95 -4.33 118.70 117.18 2gfg s GLU 41 Ca 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 54.97 54.87 2gfg s GLU 41 Cb -0.09 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.42 2gfg s GLU 41 CO -0.00 -0.30 1.10 0.95 -0.56 0.00 0.00 175.26 176.45 2gfg s THR 42 N -2.19 3.29 0.21 -1.70 -4.23 -1.26 -2.53 115.64 107.23 2gfg s THR 42 Ca 0.01 0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 2gfg s THR 42 Cb -0.01 -3.41 0.15 0.00 1.34 0.00 0.00 72.50 70.57 2gfg s THR 42 CO -0.03 -0.54 1.83 0.44 -0.54 0.00 0.00 174.62 175.78 2gfg h ASP 43 N -0.70 0.66 -0.04 3.99 5.19 -1.99 -1.76 116.42 121.77 2gfg h ASP 43 Ca -0.45 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2gfg h ASP 43 Cb 1.26 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2gfg h ASP 43 CO 0.64 0.44 0.00 -0.90 -3.12 0.00 0.00 179.24 176.30 2gfg n ASP 44 N -4.71 0.66 -2.83 6.45 5.75 -1.26 -4.95 116.55 115.65 2gfg n ASP 44 Ca 0.08 -1.40 -0.12 0.00 -0.01 0.00 0.00 54.79 53.35 2gfg n ASP 44 Cb 0.13 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 2gfg n ASP 44 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2gfg n PHE 45 N -0.41 -1.79 -0.16 2.11 3.72 -0.66 -4.93 117.46 115.34 2gfg n PHE 45 Ca 0.18 0.68 -0.09 0.00 -0.05 0.00 0.00 57.45 58.16 2gfg n PHE 45 Cb 0.19 -3.98 0.05 0.00 -0.94 0.00 0.00 39.48 34.80 2gfg n PHE 45 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2gfg h GLN 46 N -1.07 0.96 -0.76 -1.08 4.20 -1.93 -2.40 115.11 113.04 2gfg h GLN 46 Ca -0.46 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 57.86 2gfg h GLN 46 Cb 1.24 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 2gfg h GLN 46 CO 0.35 1.02 0.30 -0.07 -0.67 0.00 0.00 178.83 179.76 2gfg h LEU 47 N 0.86 1.04 -0.57 1.46 3.38 -1.93 -2.06 115.31 117.49 2gfg h LEU 47 Ca 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2gfg h LEU 47 Cb 0.66 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2gfg h LEU 47 CO 0.05 0.93 0.28 0.50 0.09 0.00 0.00 178.44 180.28 2gfg h LYS 48 N 1.10 0.82 0.00 1.13 3.11 -1.59 0.49 116.57 121.63 2gfg h LYS 48 Ca 0.25 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.96 2gfg h LYS 48 Cb 0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 2gfg h LYS 48 CO -0.02 0.66 -0.09 0.87 -2.81 0.00 0.00 179.45 178.06 2gfg h LYS 49 N 0.77 0.00 -0.54 1.90 1.57 -1.07 -0.90 116.57 118.30 2gfg h LYS 49 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2gfg h LYS 49 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2gfg h LYS 49 CO -0.03 0.09 0.03 1.04 -0.57 0.00 0.00 179.45 180.02 2gfg n GLN 50 N -3.36 4.40 -3.29 3.15 6.02 -0.81 -4.95 117.38 118.54 2gfg n GLN 50 Ca -0.01 -3.11 -0.23 0.00 -0.01 0.00 0.00 57.00 53.64 2gfg n GLN 50 Cb 0.27 -2.19 0.01 0.00 1.02 0.00 0.00 30.24 29.35 2gfg n GLN 50 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2gfg n SER 51 N 0.30 -4.36 -4.50 1.08 7.64 -0.34 -4.58 113.62 108.87 2gfg n SER 51 Ca 0.28 -0.37 -0.25 0.00 1.01 0.00 0.00 58.87 59.54 2gfg n SER 51 Cb 1.17 -3.57 -0.10 0.00 -1.01 0.00 0.00 64.21 60.70 2gfg n SER 51 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2gfg s SER 52 N -2.73 3.66 -0.05 6.43 0.01 0.17 -4.22 113.70 116.97 2gfg s SER 52 Ca 0.38 -1.10 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 2gfg s SER 52 Cb -0.19 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.74 2gfg s SER 52 CO 0.47 -0.07 0.11 0.00 0.41 0.00 0.00 173.24 174.17 2gfg s ALA 53 N -2.55 -0.20 -0.12 1.44 0.00 -0.15 -3.66 121.76 116.51 2gfg s ALA 53 Ca 0.31 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2gfg s ALA 53 Cb -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2gfg s ALA 53 CO 0.16 -0.12 -0.21 -1.17 0.00 0.00 0.00 175.76 174.42 2gfg s LEU 54 N 0.83 2.05 0.05 0.00 2.96 -1.26 -0.35 118.68 122.96 2gfg s LEU 54 Ca -0.06 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2gfg s LEU 54 Cb -0.09 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2gfg s LEU 54 CO -0.04 0.09 0.00 0.00 -1.32 0.00 0.00 176.35 175.09 2gfg s ARG 55 N 0.71 0.63 -0.22 1.98 1.70 -0.33 -1.61 118.95 121.82 2gfg s ARG 55 Ca -0.10 -1.16 -0.03 0.00 -0.47 0.00 0.00 55.73 53.97 2gfg s ARG 55 Cb -0.16 0.23 -0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2gfg s ARG 55 CO 0.01 -0.13 -0.07 0.42 -1.08 0.00 0.00 175.30 174.45 2gfg s ILE 56 N -3.84 3.13 -0.07 4.99 1.01 0.03 -0.67 121.20 125.78 2gfg s ILE 56 Ca 0.06 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 2gfg s ILE 56 Cb 0.07 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 2gfg s ILE 56 CO -0.10 0.42 0.30 -0.60 0.00 0.00 0.00 174.94 174.96 2gfg s ARG 57 N 1.44 3.83 -0.17 2.79 3.52 0.63 -0.88 118.95 130.11 2gfg s ARG 57 Ca 0.05 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 2gfg s ARG 57 Cb -0.14 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2gfg s ARG 57 CO -0.05 0.63 -0.17 -2.00 -0.81 0.00 0.00 175.30 172.90 2gfg s GLU 58 N -0.76 3.10 -0.22 5.12 2.12 0.03 -0.76 118.70 127.32 2gfg s GLU 58 Ca 0.20 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 2gfg s GLU 58 Cb -0.14 -2.61 0.11 0.00 0.26 0.00 0.00 34.13 31.75 2gfg s GLU 58 CO 0.09 -0.12 0.41 0.21 -0.54 0.00 0.00 175.26 175.31 2gfg s LYS 59 N 1.11 0.35 -1.32 4.30 2.20 -0.33 -1.10 119.74 124.94 2gfg s LYS 59 Ca 0.00 0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 56.44 2gfg s LYS 59 Cb -0.14 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2gfg s LYS 59 CO -0.07 -0.43 0.67 0.39 -0.36 0.00 0.00 175.35 175.55 2gfg n GLU 60 N 5.38 -4.72 -1.24 4.03 1.02 -1.26 -1.85 120.64 122.01 2gfg n GLU 60 Ca -0.06 0.59 -0.08 0.00 -0.02 0.00 0.00 57.16 57.59 2gfg n GLU 60 Cb 0.50 -5.10 -0.04 0.00 -0.02 0.00 0.00 31.44 26.78 2gfg n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gfg n ALA 61 N -4.29 -0.13 -3.26 0.62 0.00 -1.26 -4.99 120.51 107.20 2gfg n ALA 61 Ca -0.30 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2gfg n ALA 61 Cb 0.68 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 2gfg n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gfg s ILE 62 N -2.00 2.71 -0.13 0.00 1.01 -0.77 -4.97 121.20 117.05 2gfg s ILE 62 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 2gfg s ILE 62 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2gfg s ILE 62 CO 0.00 0.53 0.03 -0.36 0.00 0.00 0.00 174.94 175.14 2gfg s PHE 63 N 0.55 3.23 -0.09 3.97 0.40 -1.26 -1.19 117.98 123.59 2gfg s PHE 63 Ca -0.10 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2gfg s PHE 63 Cb -0.16 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.47 2gfg s PHE 63 CO 0.04 0.33 -0.03 0.99 0.70 0.00 0.00 175.22 177.25 2gfg s THR 64 N -0.32 0.67 -0.16 0.64 2.01 0.06 -1.55 115.64 116.98 2gfg s THR 64 Ca 0.08 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 2gfg s THR 64 Cb -0.12 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2gfg s THR 64 CO 0.02 0.31 0.76 0.12 -0.69 0.00 0.00 174.62 175.14 2gfg s PHE 65 N 1.85 3.43 -0.05 4.92 5.36 0.22 -0.27 117.98 133.44 2gfg s PHE 65 Ca 0.05 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2gfg s PHE 65 Cb -0.12 -2.93 0.03 0.00 -0.34 0.00 0.00 43.02 39.65 2gfg s PHE 65 CO -0.07 -0.18 -0.01 0.99 -1.46 0.00 0.00 175.22 174.49 2gfg s THR 66 N 1.92 0.34 -0.10 0.12 2.01 0.15 -0.21 115.64 119.88 2gfg s THR 66 Ca 0.36 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 2gfg s THR 66 Cb -0.16 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2gfg s THR 66 CO 0.13 0.21 0.04 -0.22 -0.69 0.00 0.00 174.62 174.08 2gfg s LEU 67 N 1.30 3.79 -0.12 4.42 2.96 -0.52 -1.18 118.68 129.33 2gfg s LEU 67 Ca -0.05 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2gfg s LEU 67 Cb -0.13 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2gfg s LEU 67 CO -0.02 0.37 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.63 2gfg s LYS 68 N -0.84 2.81 0.14 1.98 1.02 0.52 -0.97 119.74 124.40 2gfg s LYS 68 Ca 0.13 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.35 2gfg s LYS 68 Cb -0.12 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2gfg s LYS 68 CO 0.03 0.03 -0.00 1.14 -0.92 0.00 0.00 175.35 175.62 2gfg s GLN 69 N 0.72 0.96 0.70 1.68 -2.07 -0.57 -0.97 119.66 120.11 2gfg s GLN 69 Ca -0.10 -1.44 -0.16 0.00 -1.82 0.00 0.00 55.36 51.83 2gfg s GLN 69 Cb -0.16 -0.10 0.01 0.00 -1.09 0.00 0.00 33.01 31.68 2gfg s GLN 69 CO 0.01 -0.13 1.15 -2.30 -1.32 0.00 0.00 175.29 172.70 2gfg n PRO 70 N -0.13 0.70 -3.60 9.60 -0.02 -1.26 -0.90 135.00 139.39 2gfg n PRO 70 Ca -0.08 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 2gfg n PRO 70 Cb 0.63 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2gfg n PRO 70 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2gfg s HIS 71 N -1.69 -0.57 0.24 6.00 2.46 -1.17 -4.42 115.29 116.14 2gfg s HIS 71 Ca 0.77 1.06 -0.14 0.00 0.47 0.00 0.00 55.06 57.23 2gfg s HIS 71 Cb -0.35 0.31 0.30 0.00 -0.13 0.00 0.00 32.58 32.71 2gfg s HIS 71 CO 0.46 -0.51 1.57 -1.35 -2.47 0.00 0.00 174.74 172.44 2gfg h PRO 72 N 3.63 -0.03 -4.88 2.88 0.11 -1.99 -3.33 132.00 128.39 2gfg h PRO 72 Ca -0.28 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.16 2gfg h PRO 72 Cb 1.15 0.01 -0.28 0.00 0.11 0.00 0.00 31.00 31.99 2gfg h PRO 72 CO 0.33 -0.02 -0.68 0.00 -0.21 0.00 0.00 178.00 177.43 2gfg s ALA 73 N -6.10 2.93 0.00 -0.75 0.00 -1.26 -5.03 121.76 111.54 2gfg s ALA 73 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2gfg s ALA 73 Cb 0.22 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2gfg s ALA 73 CO 0.74 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2gfg n GLY 74 N 4.81 1.13 3.38 0.00 0.00 -1.25 -4.75 105.19 108.51 2gfg n GLY 74 Ca -0.16 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 2gfg n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gfg s LEU 75 N 0.00 2.29 -0.24 0.99 1.43 -0.90 -3.07 118.68 119.19 2gfg s LEU 75 Ca 0.00 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 2gfg s LEU 75 Cb 0.00 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2gfg s LEU 75 CO 0.00 0.25 0.81 -0.22 0.23 0.00 0.00 176.35 177.42 2gfg s LEU 76 N -1.42 4.09 -0.26 1.79 2.96 -0.08 -0.67 118.68 125.08 2gfg s LEU 76 Ca 0.13 1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.98 2gfg s LEU 76 Cb -0.10 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2gfg s LEU 76 CO 0.03 -0.49 0.08 -0.70 -1.32 0.00 0.00 176.35 173.95 2gfg s GLU 77 N 2.75 3.52 -0.31 1.98 2.12 0.10 -1.51 118.70 127.34 2gfg s GLU 77 Ca 0.34 -0.57 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 2gfg s GLU 77 Cb -0.15 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2gfg s GLU 77 CO 0.08 -0.25 0.11 0.99 -0.54 0.00 0.00 175.26 175.65 2gfg s THR 78 N 1.59 4.12 -0.03 -1.70 2.01 -0.14 -0.68 115.64 120.81 2gfg s THR 78 Ca 0.06 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 2gfg s THR 78 Cb -0.16 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2gfg s THR 78 CO 0.03 -0.00 0.01 0.20 -0.69 0.00 0.00 174.62 174.18 2gfg s ASN 79 N 1.51 5.26 -0.10 3.53 0.01 0.15 -1.44 114.94 123.86 2gfg s ASN 79 Ca 0.02 0.07 -0.04 0.00 -0.71 0.00 0.00 52.86 52.20 2gfg s ASN 79 Cb -0.18 -1.44 0.05 0.00 0.41 0.00 0.00 41.25 40.09 2gfg s ASN 79 CO 0.04 0.32 0.21 -1.58 -1.51 0.00 0.00 177.10 174.57 2gfg s GLN 80 N -1.34 0.14 0.25 -0.60 0.74 0.71 -4.71 119.66 114.85 2gfg s GLN 80 Ca 0.18 0.53 -0.30 0.00 0.05 0.00 0.00 55.36 55.83 2gfg s GLN 80 Cb -0.12 -0.14 -0.09 0.00 1.10 0.00 0.00 33.01 33.76 2gfg s GLN 80 CO 0.08 -0.21 1.22 0.99 -0.55 0.00 0.00 175.29 176.82 2gfg s THR 81 N 1.59 3.27 0.17 -0.34 2.01 -1.26 0.70 115.64 121.80 2gfg s THR 81 Ca -0.06 1.17 0.10 0.00 0.31 0.00 0.00 61.69 63.21 2gfg s THR 81 Cb -0.11 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2gfg s THR 81 CO -0.07 0.23 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.10 2gfg s LEU 82 N -0.91 2.42 0.68 4.42 1.43 -0.60 -4.86 118.68 121.26 2gfg s LEU 82 Ca 0.50 -0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2gfg s LEU 82 Cb -0.35 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2gfg s LEU 82 CO 0.42 0.08 1.06 -0.94 0.23 0.00 0.00 176.35 177.19 2gfg s SER 83 N -2.56 5.47 0.30 2.29 1.04 -1.26 -4.10 113.70 114.87 2gfg s SER 83 Ca 0.18 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.66 2gfg s SER 83 Cb -0.08 -1.87 0.57 0.00 0.10 0.00 0.00 66.02 64.75 2gfg s SER 83 CO 0.08 -1.29 1.86 0.50 0.98 0.00 0.00 173.24 175.37 2gfg h LYS 84 N -0.55 0.95 0.08 4.02 3.64 -1.96 0.14 116.57 122.88 2gfg h LYS 84 Ca -0.45 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2gfg h LYS 84 Cb 1.26 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2gfg h LYS 84 CO 0.63 0.63 -0.14 0.37 -2.27 0.00 0.00 179.45 178.67 2gfg h GLN 85 N 0.98 -0.27 -0.48 1.90 4.15 -1.99 0.11 115.11 119.52 2gfg h GLN 85 Ca 0.46 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.85 2gfg h GLN 85 Cb 0.44 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2gfg h GLN 85 CO -0.22 -0.18 0.10 0.93 -1.93 0.00 0.00 178.83 177.53 2gfg h GLU 86 N -0.28 0.78 -0.44 1.69 5.08 -1.83 -0.84 114.58 118.74 2gfg h GLU 86 Ca 0.02 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2gfg h GLU 86 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2gfg h GLU 86 CO -0.09 0.77 0.25 0.00 -1.00 0.00 0.00 179.01 178.95 2gfg h ALA 87 N 0.97 0.56 -0.37 3.43 0.00 -0.87 -1.94 119.26 121.05 2gfg h ALA 87 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2gfg h ALA 87 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2gfg h ALA 87 CO 0.01 0.07 0.03 -0.22 0.00 0.00 0.00 179.25 179.13 2gfg h LYS 88 N 0.58 0.64 -0.63 0.00 3.64 -0.64 -0.87 116.57 119.29 2gfg h LYS 88 Ca 0.16 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2gfg h LYS 88 Cb 0.02 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2gfg h LYS 88 CO -0.03 0.73 0.34 -0.07 -2.27 0.00 0.00 179.45 178.14 2gfg h LEU 89 N 0.46 0.49 -0.28 5.20 3.38 -1.08 0.19 115.31 123.68 2gfg h LEU 89 Ca 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2gfg h LEU 89 Cb 0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2gfg h LEU 89 CO 0.01 0.32 0.10 0.00 0.09 0.00 0.00 178.44 178.96 2gfg h ALA 90 N 1.33 0.37 -0.41 1.53 0.00 -1.08 -0.86 119.26 120.13 2gfg h ALA 90 Ca 0.28 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2gfg h ALA 90 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gfg h ALA 90 CO -0.18 -0.01 -0.08 -0.07 0.00 0.00 0.00 179.25 178.90 2gfg h LEU 91 N 0.30 0.79 0.05 0.00 3.38 -0.85 -2.05 115.31 116.92 2gfg h LEU 91 Ca 0.09 -0.35 -0.31 0.00 0.09 0.00 0.00 57.88 57.40 2gfg h LEU 91 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2gfg h LEU 91 CO -0.00 0.96 -1.70 -0.33 0.09 0.00 0.00 178.44 177.45 2gfg h GLU 92 N 0.60 0.12 0.00 1.13 5.08 -0.65 -3.42 114.58 117.44 2gfg h GLU 92 Ca 0.11 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2gfg h GLU 92 Cb 0.60 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2gfg h GLU 92 CO 0.04 0.83 -0.11 -1.13 -1.00 0.00 0.00 179.01 177.63 2gfg n SER 93 N -3.25 0.86 -2.08 1.42 3.41 -0.35 -5.02 113.62 108.61 2gfg n SER 93 Ca -0.19 -1.79 -0.16 0.00 -0.26 0.00 0.00 58.87 56.47 2gfg n SER 93 Cb 1.04 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 2gfg n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gfg n ALA 94 N -0.34 -0.55 -2.49 7.33 0.00 -0.77 -4.94 120.51 118.75 2gfg n ALA 94 Ca 0.02 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 2gfg n ALA 94 Cb 0.50 -1.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 2gfg n ALA 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2gfg s HIS 95 N -2.62 3.21 0.11 0.00 5.04 -1.15 -4.89 115.29 114.98 2gfg s HIS 95 Ca 0.00 -0.37 0.02 0.00 -1.54 0.00 0.00 55.06 53.17 2gfg s HIS 95 Cb 0.00 -2.68 -0.04 0.00 0.04 0.00 0.00 32.58 29.90 2gfg s HIS 95 CO 0.00 -0.57 0.18 -0.06 -2.34 0.00 0.00 174.74 171.95 2gfg s PHE 96 N 1.89 3.36 0.37 3.88 0.08 -1.26 -2.58 117.98 123.71 2gfg s PHE 96 Ca 0.09 0.12 -0.16 0.00 0.12 0.00 0.00 56.93 57.10 2gfg s PHE 96 Cb -0.18 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.53 2gfg s PHE 96 CO 0.11 0.54 0.81 -1.25 -0.10 0.00 0.00 175.22 175.33 2gfg s PRO 97 N -2.77 4.02 0.70 0.24 0.04 -1.26 -5.05 135.00 130.91 2gfg s PRO 97 Ca 0.33 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2gfg s PRO 97 Cb -0.12 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.10 2gfg s PRO 97 CO 0.26 0.05 1.16 -1.54 0.04 0.00 0.00 177.00 176.98 2gfg s SER 98 N -2.44 4.57 0.00 6.66 1.04 -1.26 -4.94 113.70 117.33 2gfg s SER 98 Ca 0.56 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.19 2gfg s SER 98 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2gfg s SER 98 CO 0.19 -2.00 0.00 0.61 0.98 0.00 0.00 173.24 173.02 2gfg n GLY 99 N 0.02 0.09 0.20 7.32 0.00 -1.26 -4.96 105.19 106.59 2gfg n GLY 99 Ca 0.12 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.54 2gfg n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gfg h GLU 100 N 3.85 0.08 -0.58 1.61 4.39 -1.94 -0.99 114.58 121.00 2gfg h GLU 100 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2gfg h GLU 100 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2gfg h GLU 100 CO 0.00 0.42 0.00 0.28 -1.16 0.00 0.00 179.01 178.55 2gfg n VAL 101 N -4.11 0.04 0.00 3.13 0.31 -1.26 -1.77 118.33 114.67 2gfg n VAL 101 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2gfg n VAL 101 Cb 0.40 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2gfg n VAL 101 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2gfg n ASP 103 N 0.30 0.00 0.04 4.52 8.00 -0.38 -1.42 116.55 127.60 2gfg n ASP 103 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2gfg n ASP 103 Cb 0.13 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.51 2gfg n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gfg h ALA 104 N 0.00 1.28 -0.30 2.24 0.00 -1.62 -0.55 119.26 120.32 2gfg h ALA 104 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2gfg h ALA 104 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2gfg h ALA 104 CO 0.00 0.48 0.01 -0.07 0.00 0.00 0.00 179.25 179.66 2gfg h LEU 105 N 0.39 0.51 -1.15 0.00 3.38 -1.51 -2.61 115.31 114.32 2gfg h LEU 105 Ca 0.07 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2gfg h LEU 105 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2gfg h LEU 105 CO 0.03 0.69 -0.26 0.03 0.09 0.00 0.00 178.44 179.02 2gfg h ARG 106 N 0.32 0.27 0.00 1.13 3.08 -1.75 -1.99 114.38 115.44 2gfg h ARG 106 Ca 0.08 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2gfg h ARG 106 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2gfg h ARG 106 CO 0.01 0.52 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.80 2gfg h ASP 107 N 0.25 0.00 -0.23 7.04 3.32 -1.01 -2.18 116.42 123.60 2gfg h ASP 107 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2gfg h ASP 107 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2gfg h ASP 107 CO 0.04 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 2gfg n LEU 108 N -3.81 1.78 -3.01 1.55 4.77 -0.80 -4.94 117.00 112.52 2gfg n LEU 108 Ca -0.02 -0.80 -0.22 0.00 -0.03 0.00 0.00 56.01 54.94 2gfg n LEU 108 Cb 0.29 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2gfg n LEU 108 CO 0.33 0.40 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.57 2gfg n SER 109 N 0.41 -5.96 -4.64 -1.43 7.64 -0.82 -4.98 113.62 103.85 2gfg n SER 109 Ca 0.15 -0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.33 2gfg n SER 109 Cb 0.32 -4.82 -0.04 0.00 -1.01 0.00 0.00 64.21 58.66 2gfg n SER 109 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2gfg s ILE 110 N -3.16 4.81 -0.49 0.44 -1.09 -0.88 -4.99 121.20 115.85 2gfg s ILE 110 Ca 0.29 1.58 -0.28 0.00 -2.23 0.00 0.00 60.65 60.02 2gfg s ILE 110 Cb -0.13 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2gfg s ILE 110 CO 0.36 -0.11 1.68 -2.16 -1.23 0.00 0.00 174.94 173.48 2gfg s PRO 111 N 2.91 3.13 0.44 2.79 0.04 -1.26 -4.57 135.00 138.48 2gfg s PRO 111 Ca 0.36 0.87 0.11 0.00 0.04 0.00 0.00 61.00 62.38 2gfg s PRO 111 Cb -0.15 -4.22 0.97 0.00 0.04 0.00 0.00 34.50 31.14 2gfg s PRO 111 CO 0.08 -2.12 2.02 0.82 0.04 0.00 0.00 177.00 177.84 2gfg h ILE 112 N 6.69 1.10 0.00 0.56 5.03 -1.95 -1.52 117.51 127.42 2gfg h ILE 112 Ca -0.29 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 64.05 2gfg h ILE 112 Cb 1.14 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 2gfg h ILE 112 CO 1.13 0.13 0.00 0.77 -0.68 0.00 0.00 178.15 179.51 2gfg h SER 113 N 0.20 0.00 0.39 1.72 4.64 -1.90 -2.32 113.55 116.29 2gfg h SER 113 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2gfg h SER 113 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2gfg h SER 113 CO 0.00 0.00 -0.83 0.00 -0.87 0.00 0.00 176.83 175.13 2gfg n GLN 114 N -3.03 0.14 -2.48 4.77 1.13 -0.58 -4.95 117.38 112.39 2gfg n GLN 114 Ca -0.02 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.66 2gfg n GLN 114 Cb 0.16 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 2gfg n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gfg s LEU 115 N -3.46 4.38 0.14 1.08 1.43 -0.87 -4.26 118.68 117.11 2gfg s LEU 115 Ca 0.07 2.21 -0.16 0.00 -1.03 0.00 0.00 54.13 55.21 2gfg s LEU 115 Cb 0.16 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2gfg s LEU 115 CO 0.78 -0.31 0.42 -1.59 0.23 0.00 0.00 176.35 175.88 2gfg s LYS 116 N -1.87 1.12 -0.28 1.70 -2.85 -1.05 -4.82 119.74 111.69 2gfg s LYS 116 Ca 0.50 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 2gfg s LYS 116 Cb -0.29 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 2gfg s LYS 116 CO 0.37 -0.44 1.68 -1.58 0.10 0.00 0.00 175.35 175.47 2gfg s HIS 117 N -3.81 2.00 -0.10 1.78 5.65 -1.26 -2.23 115.29 117.31 2gfg s HIS 117 Ca 0.04 0.58 0.16 0.00 0.25 0.00 0.00 55.06 56.09 2gfg s HIS 117 Cb 0.01 -4.09 -0.18 0.00 -1.18 0.00 0.00 32.58 27.15 2gfg s HIS 117 CO -0.11 -2.87 0.72 0.44 -0.65 0.00 0.00 174.74 172.27 2gfg n ILE 118 N 6.92 1.29 0.00 0.89 -5.35 -0.12 -5.00 119.36 118.00 2gfg n ILE 118 Ca 0.20 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2gfg n ILE 118 Cb 0.46 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 2gfg n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gfg n GLY 119 N 1.46 -0.85 3.00 3.28 0.00 -1.24 -5.02 105.19 105.82 2gfg n GLY 119 Ca -0.13 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 2gfg n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gfg s THR 120 N -2.00 1.02 -0.17 2.61 2.01 -1.26 -0.56 115.64 117.29 2gfg s THR 120 Ca 0.00 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2gfg s THR 120 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2gfg s THR 120 CO 0.00 0.33 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.94 2gfg s LEU 121 N 0.75 2.74 -0.04 4.42 0.20 -0.00 -4.64 118.68 122.11 2gfg s LEU 121 Ca -0.13 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.21 2gfg s LEU 121 Cb -0.15 -1.65 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 2gfg s LEU 121 CO 0.03 0.08 0.28 -0.44 -0.29 0.00 0.00 176.35 176.00 2gfg s SER 122 N 0.88 6.58 -0.04 3.68 0.01 -0.42 -0.49 113.70 123.90 2gfg s SER 122 Ca -0.03 0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.94 2gfg s SER 122 Cb -0.15 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2gfg s SER 122 CO 0.00 0.34 -0.07 -0.89 0.41 0.00 0.00 173.24 173.03 2gfg s THR 123 N -1.12 0.65 -0.30 1.44 2.01 0.35 -0.30 115.64 118.38 2gfg s THR 123 Ca 0.22 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 2gfg s THR 123 Cb -0.14 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2gfg s THR 123 CO 0.11 0.23 0.24 -0.55 -0.69 0.00 0.00 174.62 173.96 2gfg s SER 124 N 0.60 6.08 -0.06 3.53 0.15 0.14 -0.62 113.70 123.52 2gfg s SER 124 Ca -0.09 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.53 2gfg s SER 124 Cb -0.12 -2.14 -0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2gfg s SER 124 CO 0.01 -0.14 -0.19 -0.60 1.20 0.00 0.00 173.24 173.52 2gfg s ARG 125 N 1.82 2.11 -0.06 5.44 3.52 0.51 -1.32 118.95 130.96 2gfg s ARG 125 Ca 0.08 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2gfg s ARG 125 Cb -0.16 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 2gfg s ARG 125 CO 0.11 0.21 -0.15 0.00 -0.81 0.00 0.00 175.30 174.65 2gfg s ALA 126 N 0.19 2.61 -0.02 6.12 0.00 -0.78 -0.42 121.76 129.46 2gfg s ALA 126 Ca -0.09 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2gfg s ALA 126 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2gfg s ALA 126 CO 0.04 0.51 -0.16 -1.21 0.00 0.00 0.00 175.76 174.94 2gfg s GLU 127 N -0.55 1.39 0.07 0.00 2.02 -1.26 -0.69 118.70 119.67 2gfg s GLU 127 Ca 0.08 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.52 2gfg s GLU 127 Cb -0.11 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 2gfg s GLU 127 CO 0.01 0.31 -0.08 0.96 0.02 0.00 0.00 175.26 176.49 2gfg s ILE 128 N -0.26 0.66 -0.14 -1.63 -4.36 -0.74 -4.99 121.20 109.74 2gfg s ILE 128 Ca 0.04 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 58.70 2gfg s ILE 128 Cb -0.07 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.56 2gfg s ILE 128 CO -0.00 -0.55 1.18 -0.94 0.24 0.00 0.00 174.94 174.87 2gfg s SER 129 N -2.16 7.03 -0.14 4.36 1.04 -1.26 -0.75 113.70 121.82 2gfg s SER 129 Ca -0.01 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.08 2gfg s SER 129 Cb -0.04 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.55 2gfg s SER 129 CO -0.01 -0.66 -0.15 -0.47 0.98 0.00 0.00 173.24 172.92 2gfg s TYR 130 N 2.95 2.20 0.00 5.02 5.04 0.15 -4.88 117.35 127.84 2gfg s TYR 130 Ca 0.52 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 2gfg s TYR 130 Cb -0.21 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.51 2gfg s TYR 130 CO 0.15 -0.62 0.00 0.39 -1.34 0.00 0.00 175.55 174.13 2gfg n GLU 131 N 4.55 0.00 -0.77 4.97 -0.58 -1.26 -0.54 120.64 127.00 2gfg n GLU 131 Ca -0.18 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.63 2gfg n GLU 131 Cb 0.50 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.73 2gfg n GLU 131 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gfg n GLN 132 N 14.00 4.25 0.00 3.49 10.64 -1.26 -4.97 117.38 143.53 2gfg n GLN 132 Ca 0.00 -3.08 0.00 0.00 -1.83 0.00 0.00 57.00 52.09 2gfg n GLN 132 Cb 0.00 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.24 2gfg n GLN 132 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2gfg n GLY 133 N 0.23 4.91 3.12 2.61 0.00 0.30 -4.77 105.19 111.59 2gfg n GLY 133 Ca 0.27 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2gfg n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gfg s ILE 134 N -0.97 1.32 -0.21 -0.61 1.01 -0.86 -0.67 121.20 120.21 2gfg s ILE 134 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2gfg s ILE 134 Cb 0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2gfg s ILE 134 CO 0.00 0.38 -0.06 -0.22 0.00 0.00 0.00 174.94 175.05 2gfg s LEU 135 N 0.02 2.85 -0.14 2.97 2.96 0.07 0.41 118.68 127.82 2gfg s LEU 135 Ca -0.03 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2gfg s LEU 135 Cb -0.11 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2gfg s LEU 135 CO 0.02 -0.00 -0.00 0.00 -1.32 0.00 0.00 176.35 175.04 2gfg s LEU 137 N -0.04 4.23 -0.23 0.00 1.43 0.14 -1.10 118.68 123.11 2gfg s LEU 137 Ca 0.03 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2gfg s LEU 137 Cb -0.13 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.14 2gfg s LEU 137 CO 0.02 -0.26 -0.07 -1.81 0.23 0.00 0.00 176.35 174.46 2gfg s ASP 138 N 1.55 4.21 -0.31 2.29 1.01 0.17 -1.86 116.67 123.71 2gfg s ASP 138 Ca 0.03 -0.70 -0.09 0.00 0.71 0.00 0.00 52.55 52.49 2gfg s ASP 138 Cb -0.18 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.08 2gfg s ASP 138 CO 0.05 -0.09 0.14 -2.28 0.21 0.00 0.00 175.17 173.20 2gfg s HIS 139 N 1.37 3.18 0.09 4.23 5.65 -0.44 -0.25 115.29 129.12 2gfg s HIS 139 Ca 0.02 -0.74 0.08 0.00 0.25 0.00 0.00 55.06 54.67 2gfg s HIS 139 Cb -0.16 -2.34 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 2gfg s HIS 139 CO -0.05 -0.52 -0.18 -1.12 -0.65 0.00 0.00 174.74 172.22 2gfg s SER 140 N 1.57 3.85 -0.03 9.88 0.01 -0.28 0.28 113.70 128.99 2gfg s SER 140 Ca 0.04 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2gfg s SER 140 Cb -0.17 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2gfg s SER 140 CO 0.05 0.21 -0.11 -0.94 0.41 0.00 0.00 173.24 172.86 2gfg s SER 141 N -1.88 1.39 -0.28 2.44 1.04 0.59 -1.17 113.70 115.84 2gfg s SER 141 Ca 0.17 -0.22 -0.23 0.00 0.48 0.00 0.00 55.95 56.15 2gfg s SER 141 Cb -0.11 -0.34 0.10 0.00 0.10 0.00 0.00 66.02 65.77 2gfg s SER 141 CO 0.08 0.09 0.84 -0.72 0.98 0.00 0.00 173.24 174.52 2gfg s TYR 142 N 0.09 -0.70 -1.59 5.02 1.13 -0.54 -1.30 117.35 119.46 2gfg s TYR 142 Ca -0.02 1.63 -0.15 0.00 -1.41 0.00 0.00 57.07 57.12 2gfg s TYR 142 Cb -0.08 0.36 0.11 0.00 -1.10 0.00 0.00 41.96 41.25 2gfg s TYR 142 CO 0.01 -0.34 0.92 1.28 -2.51 0.00 0.00 175.55 174.90 2gfg n LEU 143 N 2.84 -2.25 0.00 -3.49 4.77 -1.26 -1.74 117.00 115.86 2gfg n LEU 143 Ca -0.15 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2gfg n LEU 143 Cb 0.56 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 2gfg n LEU 143 CO 0.02 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2gfg n GLY 144 N -1.59 3.13 3.40 -0.72 0.00 -1.26 -5.03 105.19 103.13 2gfg n GLY 144 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2gfg n GLY 144 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gfg n ILE 145 N -1.28 0.00 -3.84 -0.61 -5.35 -0.71 -5.16 119.36 102.40 2gfg n ILE 145 Ca 0.00 -1.85 -0.09 0.00 -0.27 0.00 0.00 62.75 60.54 2gfg n ILE 145 Cb 0.00 -0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 37.59 2gfg n ILE 145 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2gfg s GLU 146 N -4.12 1.31 0.31 6.28 -1.05 -1.26 -1.46 118.70 118.70 2gfg s GLU 146 Ca 0.37 -1.01 -0.16 0.00 -0.15 0.00 0.00 54.97 54.03 2gfg s GLU 146 Cb -0.03 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2gfg s GLU 146 CO 0.24 -0.53 0.66 0.16 0.95 0.00 0.00 175.26 176.74 2gfg s ASP 147 N -2.92 -0.04 0.02 0.83 1.47 -0.32 -5.00 116.67 110.72 2gfg s ASP 147 Ca 0.13 -0.91 0.05 0.00 1.18 0.00 0.00 52.55 53.00 2gfg s ASP 147 Cb 0.01 0.72 -0.02 0.00 -0.34 0.00 0.00 42.92 43.29 2gfg s ASP 147 CO -0.01 -1.39 -0.15 -0.31 0.68 0.00 0.00 175.17 173.99 2gfg s TYR 148 N -3.42 1.34 -0.17 2.11 1.51 -1.26 -1.12 117.35 116.34 2gfg s TYR 148 Ca 0.17 -0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 55.77 2gfg s TYR 148 Cb -0.04 -0.81 0.05 0.00 -0.11 0.00 0.00 41.96 41.04 2gfg s TYR 148 CO 0.10 0.03 0.43 -2.00 -1.11 0.00 0.00 175.55 173.00 2gfg s GLU 149 N -0.89 0.48 -0.06 -0.62 2.12 0.65 -1.29 118.70 119.09 2gfg s GLU 149 Ca 0.04 0.65 -0.00 0.00 0.36 0.00 0.00 54.97 56.02 2gfg s GLU 149 Cb -0.07 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 2gfg s GLU 149 CO 0.01 -0.08 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.11 2gfg s ILE 150 N 0.52 4.02 0.01 -3.70 2.07 -0.76 0.41 121.20 123.76 2gfg s ILE 150 Ca -0.02 -0.41 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 2gfg s ILE 150 Cb -0.04 -2.69 -0.01 0.00 0.13 0.00 0.00 42.46 39.85 2gfg s ILE 150 CO -0.03 0.56 -0.00 -1.61 -1.91 0.00 0.00 174.94 171.95 2gfg s GLU 151 N -0.97 0.12 -0.17 3.50 2.02 -0.26 -1.73 118.70 121.21 2gfg s GLU 151 Ca 0.14 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 2gfg s GLU 151 Cb -0.11 0.04 -0.01 0.00 0.10 0.00 0.00 34.13 34.15 2gfg s GLU 151 CO 0.03 -0.02 -0.09 0.12 0.02 0.00 0.00 175.26 175.33 2gfg s PHE 152 N -0.54 2.90 -0.40 1.61 5.36 0.15 -0.35 117.98 126.70 2gfg s PHE 152 Ca -0.06 -0.77 -0.17 0.00 -0.96 0.00 0.00 56.93 54.97 2gfg s PHE 152 Cb -0.04 -1.97 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 2gfg s PHE 152 CO -0.00 -0.35 0.45 -1.21 -1.46 0.00 0.00 175.22 172.64 2gfg s GLU 153 N 0.85 3.25 0.51 10.12 2.02 0.16 -0.98 118.70 134.64 2gfg s GLU 153 Ca -0.03 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.44 2gfg s GLU 153 Cb -0.15 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.20 2gfg s GLU 153 CO 0.01 -0.79 0.59 0.20 0.02 0.00 0.00 175.26 175.29 2gfg s GLY 154 N 1.81 1.99 -0.09 -1.39 0.00 0.86 -2.03 107.32 108.48 2gfg s GLY 154 Ca 0.14 -1.81 0.11 0.00 0.00 0.00 0.00 44.72 43.16 2gfg s GLY 154 CO 0.14 -1.72 0.11 -0.37 0.00 0.00 0.00 173.10 171.26 2gfg n THR 155 N -1.94 0.59 -4.25 0.90 5.66 -1.26 -4.14 114.28 109.83 2gfg n THR 155 Ca 0.08 -0.45 -0.18 0.00 -3.05 0.00 0.00 64.05 60.45 2gfg n THR 155 Cb 0.62 -0.43 -0.13 0.00 -1.55 0.00 0.00 70.33 68.84 2gfg n THR 155 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2gfg s SER 156 N -4.19 1.41 0.23 1.09 1.04 -1.26 -4.98 113.70 107.04 2gfg s SER 156 Ca -0.06 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 55.83 2gfg s SER 156 Cb 0.05 -0.07 0.21 0.00 0.10 0.00 0.00 66.02 66.32 2gfg s SER 156 CO 0.50 -0.02 1.90 -0.33 0.98 0.00 0.00 173.24 176.27 2gfg h GLU 157 N 4.86 1.11 0.09 4.02 4.39 -1.97 -0.96 114.58 126.13 2gfg h GLU 157 Ca -0.37 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 2gfg h GLU 157 Cb 1.19 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2gfg h GLU 157 CO 0.43 0.74 -0.05 0.93 -1.16 0.00 0.00 179.01 179.91 2gfg h GLU 158 N 1.15 -0.12 -0.11 2.33 4.39 -2.00 -2.60 114.58 117.61 2gfg h GLU 158 Ca 0.32 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.89 2gfg h GLU 158 Cb -0.10 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2gfg h GLU 158 CO -0.08 0.11 -0.55 1.25 -1.16 0.00 0.00 179.01 178.58 2gfg h HIS 159 N -0.35 0.41 -0.85 4.33 2.76 -1.97 -2.85 115.15 116.63 2gfg h HIS 159 Ca -0.01 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 57.98 2gfg h HIS 159 Cb 0.29 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 2gfg h HIS 159 CO -0.00 0.81 0.43 0.00 -1.30 0.00 0.00 177.93 177.87 2gfg h ALA 160 N 1.16 1.15 0.04 5.26 0.00 -1.18 -0.06 119.26 125.63 2gfg h ALA 160 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gfg h ALA 160 Cb 1.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2gfg h ALA 160 CO 0.09 0.66 -0.02 1.15 0.00 0.00 0.00 179.25 181.13 2gfg h THR 161 N 1.21 1.08 -0.28 0.00 2.02 -1.36 -1.09 112.91 114.49 2gfg h THR 161 Ca 0.30 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.14 2gfg h THR 161 Cb 0.09 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2gfg h THR 161 CO -0.04 0.09 0.11 0.58 0.37 0.00 0.00 175.52 176.63 2gfg h VAL 162 N -0.21 0.94 -0.62 3.16 2.07 -1.34 -0.91 116.25 119.34 2gfg h VAL 162 Ca -0.01 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2gfg h VAL 162 Cb 0.19 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2gfg h VAL 162 CO 0.01 0.04 0.12 0.74 0.02 0.00 0.00 177.57 178.51 2gfg h THR 163 N 0.24 1.26 -0.31 2.57 2.02 -1.00 -1.85 112.91 115.83 2gfg h THR 163 Ca 0.12 -0.96 -0.16 0.00 0.77 0.00 0.00 66.41 66.17 2gfg h THR 163 Cb 0.08 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2gfg h THR 163 CO -0.11 0.36 -0.44 0.15 0.37 0.00 0.00 175.52 175.85 2gfg h PHE 164 N 0.92 1.05 -0.35 3.16 3.57 -1.02 -1.38 116.94 122.88 2gfg h PHE 164 Ca 0.19 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 2gfg h PHE 164 Cb 0.39 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2gfg h PHE 164 CO 0.03 1.16 0.11 1.96 -2.23 0.00 0.00 178.31 179.34 2gfg h GLN 165 N 0.64 0.50 -0.47 1.11 1.08 -1.12 -1.41 115.11 115.44 2gfg h GLN 165 Ca 0.03 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2gfg h GLN 165 Cb 1.04 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 2gfg h GLN 165 CO 0.10 0.44 0.07 1.49 -0.95 0.00 0.00 178.83 179.98 2gfg h GLU 166 N 0.50 0.78 -0.39 1.46 4.22 -1.05 -2.29 114.58 117.81 2gfg h GLU 166 Ca 0.12 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2gfg h GLU 166 Cb 0.15 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2gfg h GLU 166 CO -0.01 0.80 0.26 0.82 -2.18 0.00 0.00 179.01 178.70 2gfg h ILE 167 N 0.64 1.10 -0.90 2.32 2.04 -0.72 0.23 117.51 122.22 2gfg h ILE 167 Ca 0.14 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2gfg h ILE 167 Cb 0.40 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2gfg h ILE 167 CO 0.01 0.10 0.54 -0.07 0.00 0.00 0.00 178.15 178.73 2gfg h LEU 168 N 0.53 1.09 -0.01 1.44 3.38 -1.22 -1.32 115.31 119.20 2gfg h LEU 168 Ca 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2gfg h LEU 168 Cb -0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 2gfg h LEU 168 CO -0.03 0.84 -0.03 0.50 0.09 0.00 0.00 178.44 179.81 2gfg h LYS 169 N 1.24 0.04 -0.44 1.13 3.64 -1.20 0.39 116.57 121.36 2gfg h LYS 169 Ca 0.32 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2gfg h LYS 169 Cb -0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2gfg h LYS 169 CO -0.06 0.67 0.27 1.15 -2.27 0.00 0.00 179.45 179.21 2gfg h THR 170 N -0.59 1.06 -0.68 1.00 2.02 -0.42 -2.49 112.91 112.80 2gfg h THR 170 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2gfg h THR 170 Cb 0.67 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2gfg h THR 170 CO 0.01 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.49 2gfg n PHE 171 N -4.82 1.04 -3.82 3.16 3.72 -0.51 -4.98 117.46 111.25 2gfg n PHE 171 Ca 0.02 -0.49 -0.30 0.00 -0.05 0.00 0.00 57.45 56.63 2gfg n PHE 171 Cb 0.05 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2gfg n PHE 171 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2gfg n SER 172 N 1.45 -3.09 -4.59 4.37 7.64 -0.68 -4.97 113.62 113.75 2gfg n SER 172 Ca 0.24 -1.03 -0.37 0.00 1.01 0.00 0.00 58.87 58.71 2gfg n SER 172 Cb 0.65 -3.13 -0.11 0.00 -1.01 0.00 0.00 64.21 60.61 2gfg n SER 172 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2gfg s ILE 173 N -3.68 5.18 -0.20 0.44 -1.09 0.13 -5.02 121.20 116.96 2gfg s ILE 173 Ca 0.27 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2gfg s ILE 173 Cb -0.11 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2gfg s ILE 173 CO 0.88 0.30 0.89 -0.94 -1.23 0.00 0.00 174.94 174.84 2gfg s SER 174 N 1.48 6.97 0.34 3.58 1.04 -1.26 -4.64 113.70 121.21 2gfg s SER 174 Ca 0.07 1.20 -0.26 0.00 0.48 0.00 0.00 55.95 57.44 2gfg s SER 174 Cb -0.15 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 2gfg s SER 174 CO 0.08 -0.50 1.00 -1.58 0.98 0.00 0.00 173.24 173.21 2gfg s GLN 175 N 2.60 4.44 0.05 4.02 0.74 -1.26 -4.97 119.66 125.28 2gfg s GLN 175 Ca 0.39 1.44 0.02 0.00 0.05 0.00 0.00 55.36 57.27 2gfg s GLN 175 Cb -0.16 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 2gfg s GLN 175 CO 0.10 0.13 -0.07 0.14 -0.55 0.00 0.00 175.29 175.03 2gfg s VAL 176 N -1.58 0.57 0.19 1.34 -7.23 -1.26 -5.10 120.40 107.33 2gfg s VAL 176 Ca 0.52 -1.28 -0.33 0.00 -1.81 0.00 0.00 61.98 59.08 2gfg s VAL 176 Cb -0.21 -0.86 -0.13 0.00 0.56 0.00 0.00 36.38 35.73 2gfg s VAL 176 CO 0.27 -0.50 1.59 -0.81 -0.31 0.00 0.00 175.10 175.33 2gfg n PRO 177 N 1.10 2.28 -3.58 4.82 -0.04 -1.26 -4.49 135.00 133.84 2gfg n PRO 177 Ca -0.20 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 63.82 2gfg n PRO 177 Cb 0.56 -2.59 -0.16 0.00 -0.04 0.00 0.00 33.50 31.27 2gfg n PRO 177 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfg s THR 178 N 0.80 -0.11 0.72 0.52 2.01 -1.26 -4.85 115.64 113.47 2gfg s THR 178 Ca 0.76 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 2gfg s THR 178 Cb -0.63 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.21 2gfg s THR 178 CO 0.39 -0.40 1.09 -1.83 -0.69 0.00 0.00 174.62 173.18 2gfg s GLU 179 N 2.15 2.66 0.70 4.92 -1.05 -1.26 -4.97 118.70 121.85 2gfg s GLU 179 Ca 0.04 0.32 -0.16 0.00 -0.15 0.00 0.00 54.97 55.03 2gfg s GLU 179 Cb -0.16 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 2gfg s GLU 179 CO -0.17 -1.13 1.21 -0.80 0.95 0.00 0.00 175.26 175.32 2gfg s ASN 180 N -4.41 4.41 0.22 0.83 0.01 -1.26 -4.64 114.94 110.10 2gfg s ASN 180 Ca 0.59 2.35 -0.12 0.00 -0.71 0.00 0.00 52.86 54.97 2gfg s ASN 180 Cb -0.11 -2.59 0.29 0.00 0.41 0.00 0.00 41.25 39.25 2gfg s ASN 180 CO 0.50 -2.12 1.63 0.11 -1.51 0.00 0.00 177.10 175.72 2gfg h LYS 181 N -0.08 0.04 -0.35 -0.60 1.57 -1.97 0.44 116.57 115.62 2gfg h LYS 181 Ca -0.48 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2gfg h LYS 181 Cb 1.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2gfg h LYS 181 CO 0.51 0.03 0.17 0.97 -0.57 0.00 0.00 179.45 180.55 2gfg h ILE 182 N 0.04 1.12 0.05 1.86 2.10 -1.98 0.42 117.51 121.13 2gfg h ILE 182 Ca 0.33 -0.35 -0.28 0.00 1.08 0.00 0.00 64.86 65.64 2gfg h ILE 182 Cb 0.53 0.68 0.03 0.00 -1.09 0.00 0.00 36.82 36.96 2gfg h ILE 182 CO -0.63 0.14 -1.13 1.56 -1.08 0.00 0.00 178.15 177.01 2gfg h GLN 183 N 0.49 0.68 -0.08 2.19 1.08 -1.14 -2.29 115.11 116.04 2gfg h GLN 183 Ca 0.13 -0.80 -0.03 0.00 -1.45 0.00 0.00 58.65 56.50 2gfg h GLN 183 Cb 0.06 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2gfg h GLN 183 CO -0.02 1.35 -0.09 0.00 -0.95 0.00 0.00 178.83 179.13 2gfg h ARG 184 N 0.35 0.11 0.50 1.46 3.08 0.19 -0.27 114.38 119.80 2gfg h ARG 184 Ca -0.16 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2gfg h ARG 184 Cb 1.79 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.83 2gfg h ARG 184 CO 0.22 0.21 -0.24 0.35 -1.07 0.00 0.00 179.97 179.44 2gfg h PHE 185 N 0.11 -0.63 0.00 3.04 3.04 -0.03 -3.06 116.94 119.41 2gfg h PHE 185 Ca 0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2gfg h PHE 185 Cb 0.24 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.96 2gfg h PHE 185 CO 0.00 -0.39 -0.10 1.97 -2.02 0.00 0.00 178.31 177.77 2gfg n PHE 186 N -4.19 0.59 0.07 0.41 1.16 -0.87 -1.40 117.46 113.23 2gfg n PHE 186 Ca -0.08 0.17 -0.03 0.00 -1.87 0.00 0.00 57.45 55.64 2gfg n PHE 186 Cb 0.27 -0.76 0.20 0.00 -1.61 0.00 0.00 39.48 37.58 2gfg n PHE 186 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2gfg h SER 187 N 0.00 0.33 -0.19 5.98 4.64 -1.18 0.12 113.55 123.25 2gfg h SER 187 Ca 0.00 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.09 2gfg h SER 187 Cb 0.66 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2gfg h SER 187 CO 0.00 0.70 -0.23 0.50 -0.87 0.00 0.00 176.83 176.94 2gfg h LYS 188 N 0.27 0.49 -0.92 4.77 3.11 -1.36 -3.25 116.57 119.69 2gfg h LYS 188 Ca 0.03 -0.27 0.09 0.00 -2.81 0.00 0.00 60.65 57.68 2gfg h LYS 188 Cb 0.83 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 32.00 2gfg h LYS 188 CO 0.07 0.86 0.57 -0.22 -2.81 0.00 0.00 179.45 177.91 2gfg h LYS 189 N 0.15 0.94 0.00 1.90 3.64 -0.99 -3.52 116.57 118.70 2gfg h LYS 189 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2gfg h LYS 189 Cb 0.79 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2gfg h LYS 189 CO 0.06 0.62 0.00 0.39 -2.27 0.00 0.00 179.45 178.25