#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfg s LYS 3 N 0.00 4.22 -0.07 1.61 1.02 -1.26 0.14 119.74 125.39 2gfg s LYS 3 Ca 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 55.97 56.10 2gfg s LYS 3 Cb 0.00 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2gfg s LYS 3 CO 0.00 0.28 0.15 -2.00 -0.92 0.00 0.00 175.35 172.86 2gfg s GLU 4 N 0.34 0.07 -0.20 1.68 2.56 0.24 -4.96 118.70 118.43 2gfg s GLU 4 Ca 0.18 0.45 -0.29 0.00 0.00 0.00 0.00 54.97 55.30 2gfg s GLU 4 Cb -0.13 -0.21 0.00 0.00 2.00 0.00 0.00 34.13 35.78 2gfg s GLU 4 CO 0.05 -0.22 1.10 0.42 -0.56 0.00 0.00 175.26 176.05 2gfg s ILE 5 N 1.60 4.58 -0.18 -3.70 -1.09 -1.26 0.65 121.20 121.79 2gfg s ILE 5 Ca -0.05 1.90 -0.23 0.00 -2.23 0.00 0.00 60.65 60.04 2gfg s ILE 5 Cb -0.12 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 2gfg s ILE 5 CO -0.06 -0.15 0.75 -1.83 -1.23 0.00 0.00 174.94 172.42 2gfg s GLU 6 N 3.17 4.26 -0.49 2.79 -1.05 -0.51 -4.97 118.70 121.90 2gfg s GLU 6 Ca 0.47 0.86 -0.08 0.00 -0.15 0.00 0.00 54.97 56.07 2gfg s GLU 6 Cb -0.17 -3.58 0.13 0.00 -0.44 0.00 0.00 34.13 30.07 2gfg s GLU 6 CO 0.09 -0.30 0.36 0.42 0.95 0.00 0.00 175.26 176.78 2gfg s ILE 7 N 2.07 4.12 0.01 1.83 1.09 -1.26 -4.40 121.20 124.66 2gfg s ILE 7 Ca 0.34 -1.95 0.03 0.00 -1.10 0.00 0.00 60.65 57.97 2gfg s ILE 7 Cb -0.16 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 2gfg s ILE 7 CO 0.11 -0.79 -0.10 -0.70 -0.10 0.00 0.00 174.94 173.37 2gfg s GLU 8 N 1.16 0.72 -0.01 2.79 2.12 -1.26 -0.85 118.70 123.37 2gfg s GLU 8 Ca 0.08 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2gfg s GLU 8 Cb -0.25 -0.68 -0.01 0.00 0.26 0.00 0.00 34.13 33.45 2gfg s GLU 8 CO -0.02 0.18 -0.17 1.03 -0.54 0.00 0.00 175.26 175.74 2gfg s ARG 9 N -0.56 1.40 0.02 4.30 1.81 -0.66 -5.00 118.95 120.26 2gfg s ARG 9 Ca 0.01 -0.60 -0.11 0.00 -1.72 0.00 0.00 55.73 53.31 2gfg s ARG 9 Cb -0.05 -1.34 0.01 0.00 -0.45 0.00 0.00 34.95 33.12 2gfg s ARG 9 CO 0.00 0.36 0.22 -1.59 -0.68 0.00 0.00 175.30 173.61 2gfg s LYS 10 N -0.37 0.66 -0.10 3.54 -2.85 -1.26 -0.06 119.74 119.31 2gfg s LYS 10 Ca 0.06 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.30 2gfg s LYS 10 Cb -0.07 0.28 0.06 0.00 -2.06 0.00 0.00 37.83 36.04 2gfg s LYS 10 CO -0.00 -0.19 0.58 -0.08 0.10 0.00 0.00 175.35 175.76 2gfg s THR 11 N -2.08 0.01 0.52 3.79 -1.32 -0.33 -4.85 115.64 111.39 2gfg s THR 11 Ca -0.09 -0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.09 2gfg s THR 11 Cb -0.03 -0.87 -0.06 0.00 -1.51 0.00 0.00 72.50 70.02 2gfg s THR 11 CO -0.01 -0.05 1.16 -0.76 -2.21 0.00 0.00 174.62 172.74 2gfg s LEU 12 N -0.76 3.82 0.15 9.08 1.43 -1.26 -0.93 118.68 130.22 2gfg s LEU 12 Ca -0.08 2.26 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 2gfg s LEU 12 Cb -0.02 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 2gfg s LEU 12 CO 0.06 -1.19 0.01 0.68 0.23 0.00 0.00 176.35 176.14 2gfg s VAL 13 N -1.66 0.52 0.91 -1.59 -7.23 -0.70 -4.70 120.40 105.95 2gfg s VAL 13 Ca 0.71 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2gfg s VAL 13 Cb -0.27 -2.05 0.14 0.00 0.56 0.00 0.00 36.38 34.76 2gfg s VAL 13 CO 0.31 -0.52 1.10 -0.94 -0.31 0.00 0.00 175.10 174.74 2gfg s SER 14 N -3.13 3.38 0.22 4.85 1.04 -1.26 -4.23 113.70 114.57 2gfg s SER 14 Ca 0.23 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.90 2gfg s SER 14 Cb 0.06 -1.99 0.17 0.00 0.10 0.00 0.00 66.02 64.36 2gfg s SER 14 CO 0.02 -2.67 1.77 0.50 0.98 0.00 0.00 173.24 173.84 2gfg h LYS 15 N -1.57 1.17 -0.32 4.02 3.64 -1.99 -1.31 116.57 120.21 2gfg h LYS 15 Ca -0.51 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 58.58 2gfg h LYS 15 Cb 1.30 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2gfg h LYS 15 CO 0.57 0.97 -0.05 0.93 -2.27 0.00 0.00 179.45 179.59 2gfg h GLU 16 N 1.13 0.60 -0.44 1.90 3.07 -1.99 -0.93 114.58 117.91 2gfg h GLU 16 Ca 0.25 -0.22 0.03 0.00 -0.50 0.00 0.00 59.36 58.93 2gfg h GLU 16 Cb 0.25 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 2gfg h GLU 16 CO -0.02 0.77 0.24 1.15 -1.40 0.00 0.00 179.01 179.75 2gfg h THR 17 N 0.38 0.99 -0.20 1.13 2.02 -1.92 -1.54 112.91 113.76 2gfg h THR 17 Ca 0.08 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.14 2gfg h THR 17 Cb 0.53 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2gfg h THR 17 CO 0.03 0.09 -0.01 0.15 0.37 0.00 0.00 175.52 176.15 2gfg h PHE 18 N 0.47 -0.02 -0.16 3.16 3.57 -0.90 -0.07 116.94 122.99 2gfg h PHE 18 Ca 0.19 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2gfg h PHE 18 Cb 0.07 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2gfg h PHE 18 CO -0.09 -0.04 -0.04 0.87 -2.23 0.00 0.00 178.31 176.79 2gfg h LYS 19 N 0.06 0.24 -0.09 1.11 1.57 -1.04 -1.84 116.57 116.57 2gfg h LYS 19 Ca 0.10 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.63 2gfg h LYS 19 Cb 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2gfg h LYS 19 CO -0.17 0.29 -0.80 -0.09 -0.57 0.00 0.00 179.45 178.11 2gfg h ARG 20 N 0.23 0.59 -0.52 3.15 2.43 -0.61 -1.99 114.38 117.66 2gfg h ARG 20 Ca 0.05 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 2gfg h ARG 20 Cb 0.22 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2gfg h ARG 20 CO 0.01 1.13 0.23 -0.07 -1.51 0.00 0.00 179.97 179.75 2gfg h LEU 21 N 0.39 0.70 -0.54 3.80 3.38 -0.66 -0.57 115.31 121.81 2gfg h LEU 21 Ca -0.05 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2gfg h LEU 21 Cb 1.41 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 2gfg h LEU 21 CO 0.15 0.66 0.33 0.40 0.09 0.00 0.00 178.44 180.07 2gfg h ILE 22 N 0.70 1.06 -0.02 1.22 2.04 -1.30 -0.43 117.51 120.78 2gfg h ILE 22 Ca 0.18 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2gfg h ILE 22 Cb 0.16 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2gfg h ILE 22 CO -0.02 0.12 -0.00 -1.28 0.00 0.00 0.00 178.15 176.97 2gfg h SER 23 N 0.66 0.04 0.24 1.72 0.87 -1.23 0.01 113.55 115.85 2gfg h SER 23 Ca 0.22 -0.33 -0.16 0.00 -1.23 0.00 0.00 61.79 60.29 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 -0.09 0.37 -0.61 -0.61 -0.53 0.00 0.00 176.83 175.36 2gfg h GLN 24 N -0.28 0.37 -0.01 2.24 4.15 -1.06 -2.78 115.11 117.73 2gfg h GLN 24 Ca 0.01 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2gfg h GLN 24 Cb 0.35 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2gfg h GLN 24 CO 0.00 0.86 -0.05 1.28 -1.93 0.00 0.00 178.83 179.00 2gfg n LEU 25 N -3.89 0.81 -3.39 -2.39 4.77 -0.18 -4.95 117.00 107.79 2gfg n LEU 25 Ca -0.03 -0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 55.55 2gfg n LEU 25 Cb 0.63 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 2gfg n LEU 25 CO 0.46 0.14 0.14 1.41 -1.33 0.00 0.00 177.39 178.21 2gfg n HIS 26 N -0.48 -2.28 -3.17 -1.77 8.25 -0.96 -4.99 115.22 109.82 2gfg n HIS 26 Ca 0.19 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 58.18 2gfg n HIS 26 Cb 0.27 -4.97 -0.05 0.00 1.12 0.00 0.00 29.99 26.36 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 -3.34 5.02 0.60 1.59 -1.09 -0.05 -5.05 121.20 118.88 2gfg s ILE 27 Ca 0.14 1.26 0.03 0.00 -2.23 0.00 0.00 60.65 59.85 2gfg s ILE 27 Cb -0.06 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2gfg s ILE 27 CO 0.71 0.34 0.83 -0.83 -1.23 0.00 0.00 174.94 174.75 2gfg s GLY 28 N 0.35 1.80 0.29 6.18 0.00 -1.26 -4.74 107.32 109.94 2gfg s GLY 28 Ca 0.32 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.39 2gfg s GLY 28 CO 0.16 -1.27 1.75 0.83 0.00 0.00 0.00 173.10 174.57 2gfg h GLU 29 N -0.05 0.47 0.00 2.90 3.07 -1.98 -2.89 114.58 116.11 2gfg h GLU 29 Ca -0.37 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2gfg h GLU 29 Cb 1.28 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2gfg h GLU 29 CO 0.45 0.66 0.00 0.78 -1.40 0.00 0.00 179.01 179.50 2gfg h GLY 30 N 0.98 0.00 1.88 -3.84 0.00 -2.03 -3.01 103.07 97.05 2gfg h GLY 30 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 2gfg h GLY 30 CO 0.04 0.00 -0.45 -0.55 0.00 0.00 0.00 176.54 175.58 2gfg h ASP 31 N 0.00 0.14 -3.33 0.19 5.19 -1.90 -3.44 116.42 113.28 2gfg h ASP 31 Ca 0.00 -0.06 -0.53 0.00 -0.62 0.00 0.00 57.03 55.81 2gfg h ASP 31 Cb 0.55 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2gfg h ASP 31 CO 0.00 0.58 0.47 -0.36 -3.12 0.00 0.00 179.24 176.81 2gfg s PHE 32 N -4.03 3.55 -0.05 4.55 0.08 -1.14 -4.33 117.98 116.61 2gfg s PHE 32 Ca -0.03 1.50 0.03 0.00 0.12 0.00 0.00 56.93 58.54 2gfg s PHE 32 Cb 0.13 -3.28 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2gfg s PHE 32 CO 0.76 -0.68 -0.12 0.15 -0.10 0.00 0.00 175.22 175.23 2gfg s LYS 33 N 0.82 1.56 0.12 0.44 1.02 0.25 -4.86 119.74 119.08 2gfg s LYS 33 Ca 0.55 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.83 2gfg s LYS 33 Cb -0.26 -1.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.66 2gfg s LYS 33 CO 0.29 0.07 1.12 -0.51 -0.92 0.00 0.00 175.35 175.40 2gfg s LEU 34 N 0.51 4.43 0.03 3.17 1.43 -1.26 -1.07 118.68 125.92 2gfg s LEU 34 Ca -0.11 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2gfg s LEU 34 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2gfg s LEU 34 CO 0.03 -0.31 -0.07 0.00 0.23 0.00 0.00 176.35 176.22 2gfg s GLN 35 N 0.27 0.52 -0.18 1.70 -2.07 0.57 -4.47 119.66 115.99 2gfg s GLN 35 Ca 0.53 -0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 53.49 2gfg s GLN 35 Cb -0.29 -0.37 -0.00 0.00 -1.09 0.00 0.00 33.01 31.26 2gfg s GLN 35 CO 0.32 0.08 -0.11 1.03 -1.32 0.00 0.00 175.29 175.29 2gfg s ARG 36 N -1.06 3.26 -0.38 9.60 0.52 0.38 -0.84 118.95 130.43 2gfg s ARG 36 Ca -0.05 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 2gfg s ARG 36 Cb -0.07 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.63 2gfg s ARG 36 CO 0.00 -0.10 0.27 -0.80 0.02 0.00 0.00 175.30 174.70 2gfg s ASN 37 N 1.13 6.04 -0.38 0.23 0.01 0.22 -0.35 114.94 121.85 2gfg s ASN 37 Ca 0.01 -0.75 -0.16 0.00 -0.71 0.00 0.00 52.86 51.25 2gfg s ASN 37 Cb -0.14 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2gfg s ASN 37 CO -0.04 -0.37 0.40 -1.00 -1.51 0.00 0.00 177.10 174.58 2gfg s HIS 38 N 1.68 3.19 -0.04 2.20 3.76 0.29 -0.93 115.29 125.44 2gfg s HIS 38 Ca 0.05 -0.18 -0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2gfg s HIS 38 Cb -0.18 -2.77 -0.05 0.00 1.11 0.00 0.00 32.58 30.69 2gfg s HIS 38 CO 0.10 -0.55 0.28 0.71 -0.85 0.00 0.00 174.74 174.43 2gfg s TYR 39 N 2.07 3.64 0.02 1.40 2.02 -0.47 -0.45 117.35 125.59 2gfg s TYR 39 Ca 0.12 0.73 0.08 0.00 -0.37 0.00 0.00 57.07 57.63 2gfg s TYR 39 Cb -0.17 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 2gfg s TYR 39 CO 0.12 0.66 -0.24 -0.06 -1.57 0.00 0.00 175.55 174.47 2gfg s PHE 40 N -1.13 2.14 -0.12 2.71 0.08 -0.81 -1.21 117.98 119.65 2gfg s PHE 40 Ca 0.22 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 2gfg s PHE 40 Cb -0.14 -1.32 0.11 0.00 -0.57 0.00 0.00 43.02 41.10 2gfg s PHE 40 CO 0.11 0.06 0.90 -2.00 -0.10 0.00 0.00 175.22 174.19 2gfg s GLU 41 N -0.97 0.74 0.65 0.44 2.56 -0.12 -4.25 118.70 117.75 2gfg s GLU 41 Ca 0.10 0.15 -0.11 0.00 0.00 0.00 0.00 54.97 55.10 2gfg s GLU 41 Cb -0.09 0.35 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 2gfg s GLU 41 CO 0.01 -0.24 1.04 0.95 -0.56 0.00 0.00 175.26 176.47 2gfg s THR 42 N -1.27 4.42 0.36 -1.70 -4.23 -1.26 -1.06 115.64 110.90 2gfg s THR 42 Ca -0.04 0.79 0.20 0.00 -1.18 0.00 0.00 61.69 61.46 2gfg s THR 42 Cb -0.00 -3.73 0.20 0.00 1.34 0.00 0.00 72.50 70.30 2gfg s THR 42 CO 0.03 -1.03 1.93 0.44 -0.54 0.00 0.00 174.62 175.46 2gfg h ASP 43 N -0.44 0.00 0.36 3.99 3.32 -1.97 -1.86 116.42 119.82 2gfg h ASP 43 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2gfg h ASP 43 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2gfg h ASP 43 CO 0.61 0.24 -0.01 0.47 -1.72 0.00 0.00 179.24 178.83 2gfg n ASP 44 N -3.83 0.05 -3.40 6.45 9.92 -1.26 -4.95 116.55 119.53 2gfg n ASP 44 Ca -0.02 -0.48 -0.18 0.00 -0.53 0.00 0.00 54.79 53.58 2gfg n ASP 44 Cb 0.33 -0.17 0.08 0.00 -0.64 0.00 0.00 41.12 40.73 2gfg n ASP 44 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2gfg n PHE 45 N -1.15 -2.30 0.09 1.24 3.72 -0.70 -4.94 117.46 113.42 2gfg n PHE 45 Ca 0.18 0.93 -0.03 0.00 -0.05 0.00 0.00 57.45 58.48 2gfg n PHE 45 Cb 0.20 -4.98 0.19 0.00 -0.94 0.00 0.00 39.48 33.96 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 -2.05 0.22 -0.27 -1.08 4.20 -1.93 -2.50 115.11 111.71 2gfg h GLN 46 Ca -0.57 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 57.94 2gfg h GLN 46 Cb 1.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2gfg h GLN 46 CO 0.50 0.66 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.11 2gfg h LEU 47 N 0.18 0.58 -0.78 1.46 3.38 -1.92 -2.97 115.31 115.24 2gfg h LEU 47 Ca 0.01 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2gfg h LEU 47 Cb 0.91 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2gfg h LEU 47 CO 0.07 0.87 0.46 0.50 0.09 0.00 0.00 178.44 180.43 2gfg h LYS 48 N 0.30 1.06 -0.04 1.13 3.64 -1.65 0.36 116.57 121.37 2gfg h LYS 48 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2gfg h LYS 48 Cb 0.65 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2gfg h LYS 48 CO 0.04 0.75 -0.05 0.87 -2.27 0.00 0.00 179.45 178.80 2gfg h LYS 49 N 1.07 0.05 -0.64 1.90 1.57 -1.49 0.31 116.57 119.34 2gfg h LYS 49 Ca 0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2gfg h LYS 49 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2gfg h LYS 49 CO -0.05 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 179.98 2gfg n GLN 50 N -4.45 3.09 -2.95 3.15 1.13 -0.78 -4.93 117.38 111.64 2gfg n GLN 50 Ca -0.02 -1.98 -0.19 0.00 -1.94 0.00 0.00 57.00 52.87 2gfg n GLN 50 Cb 0.15 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.71 2gfg n GLN 50 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2gfg n SER 51 N 0.60 -4.31 -4.75 1.08 7.64 0.10 -4.61 113.62 109.37 2gfg n SER 51 Ca 0.18 -0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 2gfg n SER 51 Cb 0.72 -3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 60.28 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 -2.46 4.34 -0.20 6.43 0.01 0.12 -4.41 113.70 117.53 2gfg s SER 52 Ca 0.23 -1.21 -0.11 0.00 1.31 0.00 0.00 55.95 56.17 2gfg s SER 52 Cb -0.12 -0.23 0.07 0.00 0.21 0.00 0.00 66.02 65.95 2gfg s SER 52 CO 0.29 -0.64 0.49 0.00 0.41 0.00 0.00 173.24 173.78 2gfg s ALA 53 N -2.67 -1.29 -0.08 1.44 0.00 -0.52 -3.94 121.76 114.71 2gfg s ALA 53 Ca 0.35 1.77 0.02 0.00 0.00 0.00 0.00 51.96 54.10 2gfg s ALA 53 Cb 0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2gfg s ALA 53 CO 0.19 -0.34 -0.12 -1.17 0.00 0.00 0.00 175.76 174.33 2gfg s LEU 54 N 1.57 2.85 0.06 0.00 2.96 -1.26 -0.37 118.68 124.48 2gfg s LEU 54 Ca -0.09 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 2gfg s LEU 54 Cb -0.08 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.01 2gfg s LEU 54 CO -0.15 0.29 0.22 0.00 -1.32 0.00 0.00 176.35 175.39 2gfg s ARG 55 N -0.37 0.77 -0.23 1.98 1.70 -0.42 -1.92 118.95 120.47 2gfg s ARG 55 Ca 0.04 -0.70 -0.01 0.00 -0.47 0.00 0.00 55.73 54.59 2gfg s ARG 55 Cb -0.12 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 2gfg s ARG 55 CO 0.02 -0.24 -0.10 0.42 -1.08 0.00 0.00 175.30 174.32 2gfg s ILE 56 N -2.99 2.63 -0.13 4.99 1.01 0.40 -1.42 121.20 125.70 2gfg s ILE 56 Ca -0.02 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 2gfg s ILE 56 Cb 0.01 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2gfg s ILE 56 CO -0.06 0.30 0.54 -0.60 0.00 0.00 0.00 174.94 175.11 2gfg s ARG 57 N 1.31 4.32 -0.25 2.79 3.52 -0.25 -0.55 118.95 129.84 2gfg s ARG 57 Ca 0.01 0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 56.08 2gfg s ARG 57 Cb -0.16 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2gfg s ARG 57 CO -0.07 0.06 0.04 -2.00 -0.81 0.00 0.00 175.30 172.52 2gfg s GLU 58 N 0.93 3.44 -0.28 5.12 2.12 0.53 -1.46 118.70 129.10 2gfg s GLU 58 Ca 0.28 -0.61 -0.17 0.00 0.36 0.00 0.00 54.97 54.83 2gfg s GLU 58 Cb -0.16 -3.25 0.09 0.00 0.26 0.00 0.00 34.13 31.08 2gfg s GLU 58 CO 0.11 -0.25 0.75 0.21 -0.54 0.00 0.00 175.26 175.54 2gfg s LYS 59 N 1.55 0.65 -1.41 4.30 2.20 -0.53 -0.47 119.74 126.03 2gfg s LYS 59 Ca 0.05 1.11 -0.13 0.00 -0.36 0.00 0.00 55.97 56.64 2gfg s LYS 59 Cb -0.15 0.14 0.11 0.00 -1.51 0.00 0.00 37.83 36.42 2gfg s LYS 59 CO 0.01 -0.13 0.59 -0.85 -0.36 0.00 0.00 175.35 174.61 2gfg n GLU 60 N 4.11 -3.20 -0.58 4.03 0.28 -1.26 -0.12 120.64 123.90 2gfg n GLU 60 Ca -0.19 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 2gfg n GLU 60 Cb 0.59 -5.10 0.00 0.00 1.43 0.00 0.00 31.44 28.35 2gfg n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gfg n ALA 61 N -3.83 0.00 -2.47 -1.84 0.00 -1.26 -5.00 120.51 106.11 2gfg n ALA 61 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2gfg n ALA 61 Cb 0.51 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 2gfg n ALA 61 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2gfg s ILE 62 N -2.44 4.97 -0.10 0.00 1.10 0.83 -4.98 121.20 120.58 2gfg s ILE 62 Ca 0.00 0.68 0.03 0.00 -0.51 0.00 0.00 60.65 60.85 2gfg s ILE 62 Cb 0.00 -3.70 -0.00 0.00 0.15 0.00 0.00 42.46 38.91 2gfg s ILE 62 CO 0.00 0.31 -0.22 -0.36 -2.11 0.00 0.00 174.94 172.57 2gfg s PHE 63 N -1.38 2.61 -0.10 3.50 0.40 -1.26 -1.46 117.98 120.29 2gfg s PHE 63 Ca 0.34 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.73 2gfg s PHE 63 Cb -0.15 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.66 2gfg s PHE 63 CO 0.18 -0.37 -0.15 0.99 0.70 0.00 0.00 175.22 176.57 2gfg s THR 64 N 0.32 1.44 -0.25 0.64 2.01 -0.54 0.44 115.64 119.70 2gfg s THR 64 Ca -0.17 -0.62 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 2gfg s THR 64 Cb -0.17 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 2gfg s THR 64 CO 0.08 0.43 0.63 0.12 -0.69 0.00 0.00 174.62 175.19 2gfg s PHE 65 N 0.86 3.29 -0.02 4.92 5.36 0.16 -1.09 117.98 131.46 2gfg s PHE 65 Ca -0.10 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2gfg s PHE 65 Cb -0.15 -2.84 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 2gfg s PHE 65 CO 0.01 -0.31 -0.04 0.99 -1.46 0.00 0.00 175.22 174.40 2gfg s THR 66 N 2.46 0.43 -0.16 0.12 2.01 -0.51 -0.37 115.64 119.62 2gfg s THR 66 Ca 0.26 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2gfg s THR 66 Cb -0.15 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2gfg s THR 66 CO 0.09 0.16 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.76 2gfg s LEU 67 N 0.40 2.22 -0.17 4.42 2.96 -0.50 -1.30 118.68 126.71 2gfg s LEU 67 Ca -0.05 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.13 2gfg s LEU 67 Cb -0.08 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2gfg s LEU 67 CO -0.00 0.05 0.34 -0.54 -1.32 0.00 0.00 176.35 174.87 2gfg s LYS 68 N 1.01 4.25 -0.03 1.98 3.01 0.50 -1.56 119.74 128.89 2gfg s LYS 68 Ca -0.02 0.16 -0.03 0.00 -1.01 0.00 0.00 55.97 55.07 2gfg s LYS 68 Cb -0.15 -3.45 0.01 0.00 -1.01 0.00 0.00 37.83 33.23 2gfg s LYS 68 CO -0.05 0.16 0.09 -1.14 0.51 0.00 0.00 175.35 174.92 2gfg s GLN 69 N 0.69 0.09 0.22 1.68 0.74 -0.82 -1.44 119.66 120.82 2gfg s GLN 69 Ca 0.18 0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 2gfg s GLN 69 Cb -0.14 0.01 -0.08 0.00 1.10 0.00 0.00 33.01 33.90 2gfg s GLN 69 CO 0.06 -0.03 1.02 -1.25 -0.55 0.00 0.00 175.29 174.53 2gfg s PRO 70 N 0.19 4.73 0.20 1.67 0.04 -1.26 -0.34 135.00 140.24 2gfg s PRO 70 Ca -0.01 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 2gfg s PRO 70 Cb -0.02 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2gfg s PRO 70 CO -0.01 0.31 0.36 -1.01 0.04 0.00 0.00 177.00 176.69 2gfg s HIS 71 N -0.82 0.43 0.15 0.56 4.02 0.11 -4.87 115.29 114.87 2gfg s HIS 71 Ca 0.44 -0.77 -0.19 0.00 1.02 0.00 0.00 55.06 55.56 2gfg s HIS 71 Cb -0.28 0.02 0.04 0.00 -1.02 0.00 0.00 32.58 31.34 2gfg s HIS 71 CO 0.35 -0.84 1.67 -1.35 1.02 0.00 0.00 174.74 175.59 2gfg h PRO 72 N 2.41 -0.06 0.00 8.40 0.11 -2.02 -1.78 132.00 139.05 2gfg h PRO 72 Ca -0.30 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 2gfg h PRO 72 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2gfg h PRO 72 CO 0.43 -0.04 -0.16 0.00 -0.21 0.00 0.00 178.00 178.02 2gfg h ALA 73 N 1.20 1.17 0.00 -0.75 0.00 -2.02 -3.48 119.26 115.38 2gfg h ALA 73 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gfg h ALA 73 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2gfg h ALA 73 CO -0.33 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2gfg n GLY 74 N -0.36 -0.06 3.66 0.00 0.00 -0.67 -5.02 105.19 102.74 2gfg n GLY 74 Ca -0.01 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 4.12 -0.13 0.99 2.01 -1.26 -0.72 118.68 123.69 2gfg s LEU 75 Ca 0.00 1.19 -0.14 0.00 0.01 0.00 0.00 54.13 55.19 2gfg s LEU 75 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 46.19 42.84 2gfg s LEU 75 CO 0.00 -0.53 0.33 -1.48 1.01 0.00 0.00 176.35 175.68 2gfg s LEU 76 N 2.75 4.29 -0.36 1.79 2.34 0.54 -1.42 118.68 128.61 2gfg s LEU 76 Ca 0.39 0.62 -0.11 0.00 0.06 0.00 0.00 54.13 55.09 2gfg s LEU 76 Cb -0.16 -2.44 0.02 0.00 -0.56 0.00 0.00 46.19 43.05 2gfg s LEU 76 CO 0.09 0.13 0.20 -0.70 -1.06 0.00 0.00 176.35 175.01 2gfg s GLU 77 N 0.20 2.98 -0.33 1.48 -6.30 0.21 -1.95 118.70 114.99 2gfg s GLU 77 Ca 0.19 -0.97 -0.19 0.00 -2.50 0.00 0.00 54.97 51.49 2gfg s GLU 77 Cb -0.14 -3.71 -0.01 0.00 0.00 0.00 0.00 34.13 30.28 2gfg s GLU 77 CO 0.06 -0.62 0.57 0.99 0.02 0.00 0.00 175.26 176.28 2gfg s THR 78 N 1.58 4.97 0.07 -1.70 2.01 -0.60 -0.59 115.64 121.37 2gfg s THR 78 Ca 0.03 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.70 2gfg s THR 78 Cb -0.19 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2gfg s THR 78 CO 0.07 -0.18 -0.10 0.20 -0.69 0.00 0.00 174.62 173.92 2gfg s ASN 79 N 1.71 4.41 -0.24 3.53 0.01 0.12 -1.42 114.94 123.06 2gfg s ASN 79 Ca 0.22 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 52.03 2gfg s ASN 79 Cb -0.15 -0.89 0.13 0.00 0.41 0.00 0.00 41.25 40.75 2gfg s ASN 79 CO 0.13 0.22 0.42 -1.58 -1.51 0.00 0.00 177.10 174.78 2gfg s GLN 80 N -1.88 0.38 0.04 -0.60 0.74 0.50 -4.71 119.66 114.13 2gfg s GLN 80 Ca 0.19 0.72 -0.31 0.00 0.05 0.00 0.00 55.36 56.02 2gfg s GLN 80 Cb -0.11 -0.15 -0.07 0.00 1.10 0.00 0.00 33.01 33.78 2gfg s GLN 80 CO 0.11 -0.56 1.46 0.99 -0.55 0.00 0.00 175.29 176.74 2gfg s THR 81 N 2.61 3.45 0.06 -0.34 2.01 -1.26 0.40 115.64 122.57 2gfg s THR 81 Ca 0.11 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2gfg s THR 81 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2gfg s THR 81 CO -0.16 0.02 0.18 -0.76 -0.69 0.00 0.00 174.62 173.20 2gfg s LEU 82 N 2.14 4.24 0.77 4.42 1.43 0.17 -4.91 118.68 126.93 2gfg s LEU 82 Ca 0.66 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 2gfg s LEU 82 Cb -0.35 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.11 2gfg s LEU 82 CO 0.29 0.18 1.09 -0.94 0.23 0.00 0.00 176.35 177.20 2gfg s SER 83 N -2.41 4.78 0.27 2.29 1.04 -1.26 -4.19 113.70 114.21 2gfg s SER 83 Ca 0.33 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.05 2gfg s SER 83 Cb -0.13 -2.10 0.35 0.00 0.10 0.00 0.00 66.02 64.24 2gfg s SER 83 CO 0.26 -1.79 1.95 0.07 0.98 0.00 0.00 173.24 174.70 2gfg h LYS 84 N -0.96 1.22 0.31 4.02 -0.00 -1.97 -1.44 116.57 117.74 2gfg h LYS 84 Ca -0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.65 60.10 2gfg h LYS 84 Cb 1.26 -0.27 0.00 0.00 -0.00 0.00 0.00 32.23 33.21 2gfg h LYS 84 CO 0.59 0.80 -0.15 0.37 -0.00 0.00 0.00 179.45 181.07 2gfg h GLN 85 N 1.25 -0.40 -0.56 0.07 4.15 -1.99 0.51 115.11 118.15 2gfg h GLN 85 Ca 0.34 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.84 2gfg h GLN 85 Cb -0.14 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.59 2gfg h GLN 85 CO -0.08 -0.15 0.29 0.93 -1.93 0.00 0.00 178.83 177.89 2gfg h GLU 86 N -0.60 0.53 -0.53 1.69 5.08 -1.91 -1.00 114.58 117.84 2gfg h GLU 86 Ca -0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2gfg h GLU 86 Cb 0.43 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2gfg h GLU 86 CO 0.07 0.35 0.07 0.00 -1.00 0.00 0.00 179.01 178.50 2gfg h ALA 87 N 1.30 0.71 -0.72 3.43 0.00 -1.24 -2.23 119.26 120.51 2gfg h ALA 87 Ca 0.25 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2gfg h ALA 87 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2gfg h ALA 87 CO -0.17 0.46 0.44 1.57 0.00 0.00 0.00 179.25 181.54 2gfg h LYS 88 N 0.77 0.82 -0.43 0.00 -0.00 -0.44 -1.47 116.57 115.82 2gfg h LYS 88 Ca 0.16 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.65 60.63 2gfg h LYS 88 Cb 0.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.23 32.45 2gfg h LYS 88 CO 0.01 0.54 -0.26 1.25 -0.00 0.00 0.00 179.45 181.00 2gfg h LEU 89 N 0.85 0.95 -0.28 7.07 5.85 -1.04 -2.20 115.31 126.50 2gfg h LEU 89 Ca 0.30 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 2gfg h LEU 89 Cb 0.06 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2gfg h LEU 89 CO -0.13 1.15 -0.45 0.00 -0.34 0.00 0.00 178.44 178.67 2gfg h ALA 90 N 0.91 0.43 0.00 1.25 0.00 -1.19 0.16 119.26 120.83 2gfg h ALA 90 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gfg h ALA 90 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2gfg h ALA 90 CO 0.07 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 2gfg h LEU 91 N 0.55 0.00 0.00 0.00 3.38 -1.29 -0.78 115.31 117.17 2gfg h LEU 91 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.62 2gfg h LEU 91 Cb 1.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2gfg h LEU 91 CO 0.10 0.00 -2.41 -0.62 0.09 0.00 0.00 178.44 175.60 2gfg n GLU 92 N -2.81 0.69 0.00 1.13 1.02 -0.83 -4.80 120.64 115.03 2gfg n GLU 92 Ca 0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2gfg n GLU 92 Cb 0.38 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2gfg n GLU 92 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2gfg n SER 93 N -2.89 0.20 -3.52 1.62 3.41 0.04 -5.05 113.62 107.43 2gfg n SER 93 Ca -0.36 -1.09 -0.26 0.00 -0.26 0.00 0.00 58.87 56.90 2gfg n SER 93 Cb 1.11 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 65.10 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 -0.05 -1.17 -3.12 7.33 0.00 -0.30 -4.96 120.51 118.24 2gfg n ALA 94 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 2gfg n ALA 94 Cb 0.44 -4.31 -0.12 0.00 0.00 0.00 0.00 19.45 15.46 2gfg n ALA 94 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2gfg s HIS 95 N -3.21 3.19 0.12 0.00 3.76 -1.25 -4.92 115.29 112.98 2gfg s HIS 95 Ca 0.51 -1.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.35 2gfg s HIS 95 Cb -0.25 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 2gfg s HIS 95 CO 0.63 -0.62 0.30 -0.06 -0.85 0.00 0.00 174.74 174.15 2gfg s PHE 96 N 1.49 3.49 0.71 1.40 0.08 -1.26 -3.57 117.98 120.32 2gfg s PHE 96 Ca 0.02 0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.32 2gfg s PHE 96 Cb -0.18 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2gfg s PHE 96 CO 0.03 0.49 1.07 -1.25 -0.10 0.00 0.00 175.22 175.46 2gfg s PRO 97 N -2.77 2.55 0.63 0.24 0.04 -1.26 -5.06 135.00 129.37 2gfg s PRO 97 Ca 0.38 0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.45 2gfg s PRO 97 Cb -0.12 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2gfg s PRO 97 CO 0.27 -1.14 1.05 -1.54 0.04 0.00 0.00 177.00 175.69 2gfg s SER 98 N -4.43 5.69 0.00 6.66 1.04 -1.26 -4.97 113.70 116.43 2gfg s SER 98 Ca 0.59 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.73 2gfg s SER 98 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2gfg s SER 98 CO 0.49 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2gfg n GLY 99 N -1.43 0.23 0.25 7.32 0.00 -1.26 -4.95 105.19 105.35 2gfg n GLY 99 Ca 0.08 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 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 0.44 0.65 -0.71 1.61 5.08 -1.94 -1.69 114.58 118.02 2gfg h GLU 100 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2gfg h GLU 100 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2gfg h GLU 100 CO 0.00 0.82 0.00 0.28 -1.00 0.00 0.00 179.01 179.11 2gfg n VAL 101 N -4.12 0.11 0.00 3.13 0.31 -1.26 -2.15 118.33 114.34 2gfg n VAL 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2gfg n VAL 101 Cb 0.41 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.37 0.00 -0.16 4.52 8.00 -0.64 -2.01 116.55 126.64 2gfg n ASP 103 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2gfg n ASP 103 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.59 -0.98 2.24 0.00 -1.70 -2.95 119.26 116.45 2gfg h ALA 104 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2gfg h ALA 104 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2gfg h ALA 104 CO 0.00 0.24 0.65 -0.07 0.00 0.00 0.00 179.25 180.06 2gfg h LEU 105 N 0.59 1.11 -1.26 0.00 -0.00 -1.71 -2.67 115.31 111.38 2gfg h LEU 105 Ca 0.15 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.95 2gfg h LEU 105 Cb 0.26 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2gfg h LEU 105 CO -0.01 0.79 -0.09 0.03 -0.00 0.00 0.00 178.44 179.17 2gfg h ARG 106 N 1.30 0.40 0.00 1.13 -0.00 -1.79 -2.73 114.38 112.69 2gfg h ARG 106 Ca 0.37 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.98 59.69 2gfg h ARG 106 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 29.79 2gfg h ARG 106 CO -0.09 0.50 -0.29 -0.44 0.00 0.00 0.00 179.97 179.65 2gfg h ASP 107 N 0.38 0.00 -0.36 7.04 3.32 -1.31 -3.00 116.42 122.48 2gfg h ASP 107 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2gfg h ASP 107 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2gfg h ASP 107 CO 0.02 0.29 0.00 0.18 -1.72 0.00 0.00 179.24 178.02 2gfg n LEU 108 N -3.70 2.53 -2.20 1.55 4.32 -1.04 -4.92 117.00 113.54 2gfg n LEU 108 Ca -0.01 -1.27 -0.18 0.00 -0.02 0.00 0.00 56.01 54.53 2gfg n LEU 108 Cb 0.40 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 2gfg n LEU 108 CO 0.35 0.50 -0.21 -1.20 -1.22 0.00 0.00 177.39 175.61 2gfg n SER 109 N 0.54 -5.04 -4.67 -1.43 7.64 -1.13 -4.96 113.62 104.57 2gfg n SER 109 Ca 0.13 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.76 2gfg n SER 109 Cb 0.46 -4.29 -0.05 0.00 -1.01 0.00 0.00 64.21 59.32 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 -2.79 4.97 -0.21 0.44 1.01 -1.16 -5.01 121.20 118.45 2gfg s ILE 110 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 2gfg s ILE 110 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 2gfg s ILE 110 CO 0.00 0.08 1.52 -2.16 0.00 0.00 0.00 174.94 174.38 2gfg s PRO 111 N 1.95 3.92 0.18 2.79 0.04 -1.26 -4.63 135.00 137.98 2gfg s PRO 111 Ca 0.33 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2gfg s PRO 111 Cb -0.16 -3.97 0.08 0.00 0.04 0.00 0.00 34.50 30.49 2gfg s PRO 111 CO 0.11 -1.14 1.56 0.82 0.04 0.00 0.00 177.00 178.40 2gfg h ILE 112 N 5.96 1.27 0.00 0.56 1.08 -1.95 -2.76 117.51 121.68 2gfg h ILE 112 Ca -0.32 -1.45 -0.04 0.00 -0.39 0.00 0.00 64.86 62.66 2gfg h ILE 112 Cb 1.14 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 2gfg h ILE 112 CO 1.00 0.48 -0.19 0.77 -0.69 0.00 0.00 178.15 179.52 2gfg h SER 113 N 0.73 0.00 1.41 1.72 4.64 -1.91 -2.64 113.55 117.50 2gfg h SER 113 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gfg h SER 113 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2gfg h SER 113 CO 0.07 0.19 0.00 -0.61 -0.87 0.00 0.00 176.83 175.62 2gfg h GLN 114 N 0.00 0.00 -6.44 4.77 4.15 -1.89 -3.45 115.11 112.25 2gfg h GLN 114 Ca -0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 2gfg h GLN 114 Cb 0.44 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.14 2gfg h GLN 114 CO 0.02 0.00 0.94 -0.51 -1.93 0.00 0.00 178.83 177.35 2gfg s LEU 115 N -5.04 4.35 0.12 -2.39 1.43 -1.00 -4.34 118.68 111.83 2gfg s LEU 115 Ca 0.08 2.38 0.09 0.00 -1.03 0.00 0.00 54.13 55.65 2gfg s LEU 115 Cb 0.10 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 2gfg s LEU 115 CO 0.57 -0.83 -0.22 -0.54 0.23 0.00 0.00 176.35 175.56 2gfg s LYS 116 N 2.47 1.23 0.01 1.70 1.02 -0.22 -4.88 119.74 121.06 2gfg s LYS 116 Ca 0.71 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 2gfg s LYS 116 Cb -0.37 -1.51 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 2gfg s LYS 116 CO 0.30 0.34 1.49 -1.58 -0.92 0.00 0.00 175.35 174.98 2gfg s HIS 117 N -1.34 2.65 -0.49 3.18 5.65 -1.26 -0.94 115.29 122.74 2gfg s HIS 117 Ca 0.10 0.63 0.10 0.00 0.25 0.00 0.00 55.06 56.15 2gfg s HIS 117 Cb -0.09 -3.76 -0.11 0.00 -1.18 0.00 0.00 32.58 27.43 2gfg s HIS 117 CO 0.05 -2.93 0.44 0.44 -0.65 0.00 0.00 174.74 172.10 2gfg n ILE 118 N 4.79 0.00 0.00 0.89 -5.35 -0.35 -4.95 119.36 114.39 2gfg n ILE 118 Ca 0.14 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2gfg n ILE 118 Cb 0.43 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 1.25 3.38 3.14 3.28 0.00 -1.25 -5.02 105.19 109.97 2gfg n GLY 119 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 1.76 -0.13 2.61 2.01 -1.26 -1.37 115.64 117.26 2gfg s THR 120 Ca 0.00 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 2gfg s THR 120 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2gfg s THR 120 CO 0.00 0.49 0.07 -0.22 -0.69 0.00 0.00 174.62 174.27 2gfg s LEU 121 N 0.60 3.94 -0.29 4.42 2.96 -0.10 -4.93 118.68 125.27 2gfg s LEU 121 Ca -0.14 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 2gfg s LEU 121 Cb -0.17 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2gfg s LEU 121 CO 0.04 0.31 0.18 -0.55 -1.32 0.00 0.00 176.35 175.01 2gfg s SER 122 N -0.44 5.85 -0.14 3.68 0.15 -1.13 -0.61 113.70 121.07 2gfg s SER 122 Ca 0.10 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.58 2gfg s SER 122 Cb -0.12 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2gfg s SER 122 CO 0.02 -0.11 -0.19 -0.89 1.20 0.00 0.00 173.24 173.28 2gfg s THR 123 N 1.72 2.42 -0.43 6.45 2.01 -0.02 -0.84 115.64 126.95 2gfg s THR 123 Ca 0.06 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 2gfg s THR 123 Cb -0.16 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2gfg s THR 123 CO 0.09 0.53 0.54 -0.55 -0.69 0.00 0.00 174.62 174.55 2gfg s SER 124 N 0.67 6.26 -0.15 3.53 0.15 0.55 -0.32 113.70 124.39 2gfg s SER 124 Ca -0.09 -0.51 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 2gfg s SER 124 Cb -0.16 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2gfg s SER 124 CO 0.02 -0.69 -0.11 -0.60 1.20 0.00 0.00 173.24 173.06 2gfg s ARG 125 N 2.49 3.36 -0.18 5.44 3.52 -0.23 -1.22 118.95 132.13 2gfg s ARG 125 Ca 0.17 -0.68 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2gfg s ARG 125 Cb -0.16 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2gfg s ARG 125 CO 0.16 0.10 0.08 0.00 -0.81 0.00 0.00 175.30 174.83 2gfg s ALA 126 N 0.65 3.48 -0.12 6.12 0.00 -0.37 -0.59 121.76 130.94 2gfg s ALA 126 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2gfg s ALA 126 Cb -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.04 2gfg s ALA 126 CO 0.03 0.21 -0.03 -2.00 0.00 0.00 0.00 175.76 173.96 2gfg s GLU 127 N 0.27 1.05 0.14 0.00 2.12 -1.26 -0.25 118.70 120.77 2gfg s GLU 127 Ca 0.05 -0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.24 2gfg s GLU 127 Cb -0.12 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 2gfg s GLU 127 CO -0.00 -0.36 -0.11 0.96 -0.54 0.00 0.00 175.26 175.21 2gfg s ILE 128 N 1.81 1.22 0.10 -3.70 -4.36 -0.50 -4.98 121.20 110.80 2gfg s ILE 128 Ca 0.03 -1.98 -0.31 0.00 -0.26 0.00 0.00 60.65 58.13 2gfg s ILE 128 Cb -0.14 -1.77 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 2gfg s ILE 128 CO -0.07 -0.67 1.46 -0.44 0.24 0.00 0.00 174.94 175.47 2gfg s SER 129 N -3.00 6.75 -0.16 4.36 0.01 -1.26 -0.82 113.70 119.58 2gfg s SER 129 Ca 0.15 2.37 -0.05 0.00 1.31 0.00 0.00 55.95 59.73 2gfg s SER 129 Cb 0.01 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.71 2gfg s SER 129 CO 0.01 -0.73 0.09 -0.47 0.41 0.00 0.00 173.24 172.56 2gfg s TYR 130 N 1.53 0.15 0.00 2.43 6.14 -0.64 -4.84 117.35 122.12 2gfg s TYR 130 Ca 0.67 -0.21 0.00 0.00 0.64 0.00 0.00 57.07 58.17 2gfg s TYR 130 Cb -0.38 -0.65 0.00 0.00 0.42 0.00 0.00 41.96 41.36 2gfg s TYR 130 CO 0.30 -0.48 0.00 0.39 0.64 0.00 0.00 175.55 176.40 2gfg n GLU 131 N 5.28 0.00 0.00 4.97 -0.58 -1.26 -1.17 120.64 127.89 2gfg n GLU 131 Ca -0.06 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.81 2gfg n GLU 131 Cb 0.49 0.00 0.46 0.00 -0.57 0.00 0.00 31.44 31.82 2gfg n GLU 131 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2gfg n GLN 132 N 14.00 1.72 -0.45 3.49 6.02 -1.26 -4.95 117.38 135.95 2gfg n GLN 132 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 2gfg n GLN 132 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 2gfg n GLN 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gfg n GLY 133 N 1.21 5.68 3.10 1.08 0.00 -0.31 -4.66 105.19 111.27 2gfg n GLY 133 Ca 0.18 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 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 0.80 1.35 -0.20 -0.61 1.01 0.07 -1.62 121.20 121.99 2gfg s ILE 134 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 2gfg s ILE 134 Cb 0.00 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 2gfg s ILE 134 CO 0.00 0.40 -0.01 -0.22 0.00 0.00 0.00 174.94 175.11 2gfg s LEU 135 N 0.27 3.19 -0.15 2.97 2.96 -0.00 0.11 118.68 128.02 2gfg s LEU 135 Ca -0.08 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2gfg s LEU 135 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2gfg s LEU 135 CO 0.03 0.05 0.04 0.00 -1.32 0.00 0.00 176.35 175.15 2gfg s LEU 137 N -0.02 3.94 -0.27 0.00 1.43 0.65 -1.67 118.68 122.74 2gfg s LEU 137 Ca 0.05 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 2gfg s LEU 137 Cb -0.12 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2gfg s LEU 137 CO 0.01 -0.22 0.02 -1.81 0.23 0.00 0.00 176.35 174.58 2gfg s ASP 138 N 1.48 4.79 -0.46 2.29 1.01 0.19 -1.23 116.67 124.73 2gfg s ASP 138 Ca 0.02 -0.72 -0.13 0.00 0.71 0.00 0.00 52.55 52.43 2gfg s ASP 138 Cb -0.18 -1.80 0.08 0.00 1.01 0.00 0.00 42.92 42.04 2gfg s ASP 138 CO 0.02 -0.15 0.36 -2.28 0.21 0.00 0.00 175.17 173.33 2gfg s HIS 139 N 1.44 3.29 -0.01 4.23 5.65 -0.35 -1.80 115.29 127.74 2gfg s HIS 139 Ca 0.02 -1.21 -0.01 0.00 0.25 0.00 0.00 55.06 54.11 2gfg s HIS 139 Cb -0.17 -3.19 -0.04 0.00 -1.18 0.00 0.00 32.58 28.00 2gfg s HIS 139 CO -0.00 -0.85 0.10 -1.12 -0.65 0.00 0.00 174.74 172.21 2gfg s SER 140 N 2.56 5.79 -0.07 9.88 0.01 -0.83 -0.33 113.70 130.71 2gfg s SER 140 Ca 0.04 0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 2gfg s SER 140 Cb -0.25 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.31 2gfg s SER 140 CO 0.04 0.27 0.24 -0.94 0.41 0.00 0.00 173.24 173.27 2gfg s SER 141 N -1.75 -0.21 -0.19 2.44 1.04 -0.02 -1.64 113.70 113.38 2gfg s SER 141 Ca 0.23 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 2gfg s SER 141 Cb -0.12 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.51 2gfg s SER 141 CO 0.14 -0.18 0.18 -0.47 0.98 0.00 0.00 173.24 173.90 2gfg s TYR 142 N -0.30 -0.14 -1.64 5.02 5.04 0.16 -2.82 117.35 122.67 2gfg s TYR 142 Ca -0.04 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.57 2gfg s TYR 142 Cb -0.03 -0.45 0.11 0.00 0.35 0.00 0.00 41.96 41.94 2gfg s TYR 142 CO 0.01 -0.56 0.50 1.28 -1.34 0.00 0.00 175.55 175.45 2gfg n LEU 143 N 5.31 -1.50 0.00 6.97 4.77 -1.26 -0.72 117.00 130.56 2gfg n LEU 143 Ca -0.06 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2gfg n LEU 143 Cb 0.49 -1.92 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 2gfg n LEU 143 CO 0.08 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2gfg n GLY 144 N -1.72 3.13 3.70 -0.72 0.00 -1.26 -5.04 105.19 103.28 2gfg n GLY 144 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2gfg n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gfg s ILE 145 N -2.94 4.90 0.05 -0.61 1.09 0.10 -5.05 121.20 118.74 2gfg s ILE 145 Ca 0.00 1.83 -0.00 0.00 -1.10 0.00 0.00 60.65 61.37 2gfg s ILE 145 Cb 0.00 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 37.15 2gfg s ILE 145 CO 0.00 0.13 -0.04 -1.83 -0.10 0.00 0.00 174.94 173.10 2gfg s GLU 146 N 1.34 0.58 0.26 2.79 -1.05 -1.26 0.35 118.70 121.72 2gfg s GLU 146 Ca 0.45 -1.11 -0.13 0.00 -0.15 0.00 0.00 54.97 54.03 2gfg s GLU 146 Cb -0.19 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 2gfg s GLU 146 CO 0.21 -0.08 0.52 0.16 0.95 0.00 0.00 175.26 177.02 2gfg s ASP 147 N -2.62 -0.04 0.03 0.83 1.47 -0.65 -5.01 116.67 110.68 2gfg s ASP 147 Ca 0.03 -0.94 0.06 0.00 1.18 0.00 0.00 52.55 52.88 2gfg s ASP 147 Cb 0.04 0.62 -0.02 0.00 -0.34 0.00 0.00 42.92 43.21 2gfg s ASP 147 CO -0.07 -1.20 -0.18 -0.31 0.68 0.00 0.00 175.17 174.09 2gfg s TYR 148 N -3.87 1.61 -0.09 2.11 1.51 -1.26 -1.97 117.35 115.39 2gfg s TYR 148 Ca 0.21 -0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 55.71 2gfg s TYR 148 Cb -0.01 -0.97 0.05 0.00 -0.11 0.00 0.00 41.96 40.91 2gfg s TYR 148 CO 0.10 0.05 0.51 -2.00 -1.11 0.00 0.00 175.55 173.10 2gfg s GLU 149 N -1.00 0.78 0.02 -0.62 2.12 -0.75 -1.73 118.70 117.53 2gfg s GLU 149 Ca 0.06 0.29 0.06 0.00 0.36 0.00 0.00 54.97 55.74 2gfg s GLU 149 Cb -0.08 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 2gfg s GLU 149 CO 0.01 -0.19 -0.17 0.96 -0.54 0.00 0.00 175.26 175.32 2gfg s ILE 150 N -0.71 2.83 -0.02 -3.70 -4.36 -0.10 -0.64 121.20 114.49 2gfg s ILE 150 Ca -0.08 -1.10 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 2gfg s ILE 150 Cb -0.03 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.51 2gfg s ILE 150 CO 0.05 0.39 -0.07 -1.61 0.24 0.00 0.00 174.94 173.94 2gfg s GLU 151 N -1.29 0.79 -0.22 0.37 8.01 -0.67 -1.19 118.70 124.50 2gfg s GLU 151 Ca 0.14 -0.24 -0.06 0.00 0.01 0.00 0.00 54.97 54.83 2gfg s GLU 151 Cb -0.11 -0.76 -0.02 0.00 -4.31 0.00 0.00 34.13 28.93 2gfg s GLU 151 CO 0.04 0.08 0.02 0.12 0.01 0.00 0.00 175.26 175.53 2gfg s PHE 152 N 0.24 3.04 -0.26 1.61 5.36 0.92 -0.38 117.98 128.50 2gfg s PHE 152 Ca -0.03 -0.55 -0.12 0.00 -0.96 0.00 0.00 56.93 55.27 2gfg s PHE 152 Cb -0.08 -2.15 -0.05 0.00 -0.34 0.00 0.00 43.02 40.41 2gfg s PHE 152 CO 0.00 -0.35 0.25 -1.21 -1.46 0.00 0.00 175.22 172.45 2gfg s GLU 153 N 1.34 4.01 0.39 10.12 0.41 0.12 -1.66 118.70 133.43 2gfg s GLU 153 Ca 0.04 -0.17 0.08 0.00 -0.41 0.00 0.00 54.97 54.51 2gfg s GLU 153 Cb -0.15 -3.62 -0.04 0.00 -1.78 0.00 0.00 34.13 28.54 2gfg s GLU 153 CO 0.01 -0.14 0.23 0.20 -0.49 0.00 0.00 175.26 175.07 2gfg s GLY 154 N 1.51 2.13 0.07 -1.39 0.00 -0.03 -0.75 107.32 108.86 2gfg s GLY 154 Ca 0.10 -1.94 0.13 0.00 0.00 0.00 0.00 44.72 43.01 2gfg s GLY 154 CO 0.09 -1.79 0.96 -0.91 0.00 0.00 0.00 173.10 171.45 2gfg h THR 155 N 1.35 0.91 -3.83 0.90 1.35 -1.87 -3.41 112.91 108.31 2gfg h THR 155 Ca -0.43 -2.55 -0.09 0.00 -0.55 0.00 0.00 66.41 62.79 2gfg h THR 155 Cb 1.26 2.38 -0.13 0.00 -1.73 0.00 0.00 68.15 69.93 2gfg h THR 155 CO 0.64 0.52 -0.31 -0.94 -0.25 0.00 0.00 175.52 175.18 2gfg s SER 156 N -6.17 0.03 0.21 5.36 1.04 -1.26 -5.05 113.70 107.85 2gfg s SER 156 Ca -0.02 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 2gfg s SER 156 Cb 0.09 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.78 2gfg s SER 156 CO 0.81 -0.87 1.79 -0.33 0.98 0.00 0.00 173.24 175.62 2gfg h GLU 157 N 2.56 1.14 0.42 4.02 4.39 -1.96 -0.68 114.58 124.47 2gfg h GLU 157 Ca -0.32 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 2gfg h GLU 157 Cb 1.23 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2gfg h GLU 157 CO 0.49 0.90 -0.32 1.49 -1.16 0.00 0.00 179.01 180.42 2gfg h GLU 158 N 1.11 -0.70 -0.06 2.33 4.81 -2.00 -2.04 114.58 118.02 2gfg h GLU 158 Ca 0.26 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2gfg h GLU 158 Cb 0.16 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2gfg h GLU 158 CO -0.03 -0.47 -0.47 0.45 -0.73 0.00 0.00 179.01 177.76 2gfg h HIS 159 N -0.73 0.17 -0.42 0.92 3.86 -1.95 -2.12 115.15 114.89 2gfg h HIS 159 Ca -0.04 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2gfg h HIS 159 Cb 0.62 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2gfg h HIS 159 CO -0.14 0.59 0.27 0.00 0.86 0.00 0.00 177.93 179.51 2gfg h ALA 160 N 1.40 0.53 -0.11 2.45 0.00 -1.03 0.60 119.26 123.09 2gfg h ALA 160 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2gfg h ALA 160 Cb 0.88 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2gfg h ALA 160 CO 0.07 -0.02 0.05 1.15 0.00 0.00 0.00 179.25 180.49 2gfg h THR 161 N 0.56 1.14 -0.01 0.00 2.02 -1.16 -0.80 112.91 114.66 2gfg h THR 161 Ca 0.15 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2gfg h THR 161 Cb -0.06 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2gfg h THR 161 CO -0.04 0.12 0.00 0.58 0.37 0.00 0.00 175.52 176.56 2gfg h VAL 162 N 0.03 1.07 -0.34 3.16 2.07 -1.28 -1.68 116.25 119.28 2gfg h VAL 162 Ca 0.04 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 2gfg h VAL 162 Cb 0.15 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2gfg h VAL 162 CO -0.00 0.05 -0.18 0.74 0.02 0.00 0.00 177.57 178.20 2gfg h THR 163 N -0.07 1.29 -0.59 2.57 2.02 -0.90 -2.20 112.91 115.02 2gfg h THR 163 Ca 0.00 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 2gfg h THR 163 Cb 0.08 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2gfg h THR 163 CO -0.00 0.43 0.21 0.15 0.37 0.00 0.00 175.52 176.67 2gfg h PHE 164 N 0.50 0.92 -0.48 3.16 3.57 -1.14 -0.82 116.94 122.64 2gfg h PHE 164 Ca 0.07 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2gfg h PHE 164 Cb 0.73 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2gfg h PHE 164 CO 0.06 0.75 0.25 1.96 -2.23 0.00 0.00 178.31 179.11 2gfg h GLN 165 N 0.82 0.66 -0.63 1.11 1.08 -1.26 -0.01 115.11 116.89 2gfg h GLN 165 Ca 0.19 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 2gfg h GLN 165 Cb 0.25 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2gfg h GLN 165 CO -0.01 0.50 0.08 1.49 -0.95 0.00 0.00 178.83 179.94 2gfg h GLU 166 N 0.67 1.06 -0.07 1.46 4.22 -0.78 -0.30 114.58 120.84 2gfg h GLU 166 Ca 0.17 -0.30 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 2gfg h GLU 166 Cb 0.04 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2gfg h GLU 166 CO -0.03 1.00 0.03 0.82 -2.18 0.00 0.00 179.01 178.65 2gfg h ILE 167 N 0.97 1.10 -0.52 2.32 2.04 -0.38 0.22 117.51 123.26 2gfg h ILE 167 Ca 0.19 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2gfg h ILE 167 Cb 0.47 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2gfg h ILE 167 CO 0.02 0.09 0.32 -0.07 0.00 0.00 0.00 178.15 178.50 2gfg h LEU 168 N -0.00 0.52 -0.02 1.44 3.38 -0.91 -2.17 115.31 117.55 2gfg h LEU 168 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2gfg h LEU 168 Cb 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2gfg h LEU 168 CO -0.00 0.37 -0.01 0.50 0.09 0.00 0.00 178.44 179.38 2gfg h LYS 169 N 0.63 0.04 -0.58 1.13 3.64 -0.94 0.64 116.57 121.13 2gfg h LYS 169 Ca 0.21 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2gfg h LYS 169 Cb 0.01 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2gfg h LYS 169 CO -0.09 0.48 0.33 1.15 -2.27 0.00 0.00 179.45 179.05 2gfg h THR 170 N -0.41 1.02 -0.66 1.00 2.02 -0.51 -2.28 112.91 113.09 2gfg h THR 170 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2gfg h THR 170 Cb 0.47 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2gfg h THR 170 CO 0.00 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.50 2gfg n PHE 171 N -4.79 1.43 -3.84 3.16 3.72 -0.82 -4.97 117.46 111.35 2gfg n PHE 171 Ca 0.06 -0.60 -0.26 0.00 -0.05 0.00 0.00 57.45 56.59 2gfg n PHE 171 Cb 0.11 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 1.16 -1.62 -4.63 4.37 7.64 -0.50 -4.97 113.62 115.07 2gfg n SER 172 Ca 0.26 -0.97 -0.35 0.00 1.01 0.00 0.00 58.87 58.82 2gfg n SER 172 Cb 0.87 -3.32 -0.10 0.00 -1.01 0.00 0.00 64.21 60.65 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 -3.79 4.39 -0.18 0.44 -1.09 0.21 -5.02 121.20 116.16 2gfg s ILE 173 Ca 0.11 -0.20 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 2gfg s ILE 173 Cb -0.04 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2gfg s ILE 173 CO 0.87 0.54 0.08 -0.44 -1.23 0.00 0.00 174.94 174.76 2gfg s SER 174 N -0.24 5.84 0.10 3.58 0.01 -1.26 -4.53 113.70 117.20 2gfg s SER 174 Ca 0.06 0.16 -0.31 0.00 1.31 0.00 0.00 55.95 57.17 2gfg s SER 174 Cb -0.12 -1.99 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 2gfg s SER 174 CO 0.02 0.20 1.71 -1.58 0.41 0.00 0.00 173.24 174.00 2gfg s GLN 175 N 0.21 4.17 0.24 12.44 2.00 -1.26 -4.96 119.66 132.49 2gfg s GLN 175 Ca 0.06 2.44 0.11 0.00 -2.00 0.00 0.00 55.36 55.97 2gfg s GLN 175 Cb -0.12 -3.54 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 2gfg s GLN 175 CO -0.00 -0.76 -0.19 0.14 -0.50 0.00 0.00 175.29 173.97 2gfg s VAL 176 N 2.49 2.56 -0.05 1.34 -7.23 -1.26 -5.09 120.40 113.17 2gfg s VAL 176 Ca 0.76 -2.17 -0.34 0.00 -1.81 0.00 0.00 61.98 58.42 2gfg s VAL 176 Cb -0.43 -2.30 -0.12 0.00 0.56 0.00 0.00 36.38 34.09 2gfg s VAL 176 CO 0.34 -0.27 1.85 -2.65 -0.31 0.00 0.00 175.10 174.06 2gfg n PRO 177 N -0.26 2.24 -3.80 4.82 -0.02 -1.26 -4.59 135.00 132.13 2gfg n PRO 177 Ca -0.08 0.82 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 2gfg n PRO 177 Cb 0.58 -2.67 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 2gfg n PRO 177 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gfg s THR 178 N 3.72 0.99 0.71 3.45 2.01 -1.26 -4.86 115.64 120.40 2gfg s THR 178 Ca 0.91 -1.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 2gfg s THR 178 Cb -0.67 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2gfg s THR 178 CO 0.49 -0.40 1.07 -1.61 -0.69 0.00 0.00 174.62 173.48 2gfg s GLU 179 N 1.60 2.86 0.80 4.92 2.02 -1.26 -5.00 118.70 124.65 2gfg s GLU 179 Ca 0.03 0.77 -0.11 0.00 0.02 0.00 0.00 54.97 55.68 2gfg s GLU 179 Cb -0.18 -2.00 0.08 0.00 0.10 0.00 0.00 34.13 32.13 2gfg s GLU 179 CO -0.15 -1.11 1.11 0.54 0.02 0.00 0.00 175.26 175.68 2gfg s ASN 180 N -3.98 4.11 0.21 -0.19 2.20 -1.26 -4.71 114.94 111.33 2gfg s ASN 180 Ca 0.58 1.95 -0.10 0.00 -0.94 0.00 0.00 52.86 54.35 2gfg s ASN 180 Cb -0.13 -2.54 0.30 0.00 -2.00 0.00 0.00 41.25 36.89 2gfg s ASN 180 CO 0.54 -2.30 1.70 0.11 -2.94 0.00 0.00 177.10 174.21 2gfg h LYS 181 N -1.23 0.25 -0.72 3.55 1.57 -1.99 -1.55 116.57 116.45 2gfg h LYS 181 Ca -0.44 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 2gfg h LYS 181 Cb 1.24 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 2gfg h LYS 181 CO 0.49 0.17 0.37 0.97 -0.57 0.00 0.00 179.45 180.87 2gfg h ILE 182 N 0.26 0.85 -0.18 1.86 6.09 -1.98 -2.03 117.51 122.38 2gfg h ILE 182 Ca 0.32 -0.21 -0.14 0.00 -1.37 0.00 0.00 64.86 63.46 2gfg h ILE 182 Cb 0.48 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.95 2gfg h ILE 182 CO -0.41 0.11 -0.42 1.56 -3.07 0.00 0.00 178.15 175.92 2gfg h GLN 183 N 0.62 0.60 -0.94 2.19 1.08 -1.68 -0.40 115.11 116.58 2gfg h GLN 183 Ca 0.36 -0.41 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2gfg h GLN 183 Cb 0.37 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 2gfg h GLN 183 CO -0.27 1.02 0.61 0.00 -0.95 0.00 0.00 178.83 179.25 2gfg h ARG 184 N 0.27 1.07 0.00 1.46 3.08 -0.91 -2.91 114.38 116.43 2gfg h ARG 184 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2gfg h ARG 184 Cb 1.03 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 2gfg h ARG 184 CO 0.09 0.71 -1.78 1.19 -1.07 0.00 0.00 179.97 179.11 2gfg n PHE 185 N -4.48 0.00 -2.64 3.04 3.72 -0.80 -4.70 117.46 111.60 2gfg n PHE 185 Ca 0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.47 2gfg n PHE 185 Cb 0.17 -0.41 0.04 0.00 -0.94 0.00 0.00 39.48 38.34 2gfg n PHE 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2gfg n PHE 186 N -2.11 1.63 1.45 1.38 3.72 -0.16 -5.10 117.46 118.26 2gfg n PHE 186 Ca -0.05 -2.28 0.12 0.00 -0.05 0.00 0.00 57.45 55.19 2gfg n PHE 186 Cb 0.48 -0.26 0.69 0.00 -0.94 0.00 0.00 39.48 39.44 2gfg n PHE 186 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58