#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 3.71 -0.17 1.61 -0.14 -1.26 -1.60 119.74 121.90 2gfg s LYS 3 Ca 0.00 0.10 -0.11 0.00 -1.36 0.00 0.00 55.97 54.60 2gfg s LYS 3 Cb 0.00 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.43 2gfg s LYS 3 CO 0.00 0.41 0.42 -1.21 -0.76 0.00 0.00 175.35 174.21 2gfg s GLU 4 N -2.66 0.43 -0.20 1.68 8.01 0.74 -5.00 118.70 121.69 2gfg s GLU 4 Ca 0.43 0.74 -0.21 0.00 0.01 0.00 0.00 54.97 55.93 2gfg s GLU 4 Cb -0.12 0.06 -0.02 0.00 -4.31 0.00 0.00 34.13 29.74 2gfg s GLU 4 CO 0.23 -0.13 0.66 0.42 0.01 0.00 0.00 175.26 176.45 2gfg s ILE 5 N 1.04 4.99 -0.29 -1.63 -1.09 -1.26 0.25 121.20 123.21 2gfg s ILE 5 Ca -0.07 1.25 -0.06 0.00 -2.23 0.00 0.00 60.65 59.54 2gfg s ILE 5 Cb -0.07 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2gfg s ILE 5 CO -0.09 0.08 0.07 -1.61 -1.23 0.00 0.00 174.94 172.16 2gfg s GLU 6 N 2.06 3.09 -0.25 2.79 0.41 -0.50 -4.96 118.70 121.35 2gfg s GLU 6 Ca 0.30 -0.85 -0.09 0.00 -0.41 0.00 0.00 54.97 53.91 2gfg s GLU 6 Cb -0.16 -3.33 -0.04 0.00 -1.78 0.00 0.00 34.13 28.82 2gfg s GLU 6 CO 0.10 -0.43 0.14 0.42 -0.49 0.00 0.00 175.26 175.00 2gfg s ILE 7 N 1.49 5.00 -0.07 -1.63 -1.09 -1.26 -2.18 121.20 121.46 2gfg s ILE 7 Ca 0.03 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.44 2gfg s ILE 7 Cb -0.17 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 2gfg s ILE 7 CO 0.02 0.32 0.19 -0.70 -1.23 0.00 0.00 174.94 173.54 2gfg s GLU 8 N 1.39 0.22 0.03 2.79 2.12 -1.26 -0.82 118.70 123.17 2gfg s GLU 8 Ca 0.06 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.74 2gfg s GLU 8 Cb -0.15 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 2gfg s GLU 8 CO 0.06 -0.03 -0.23 1.03 -0.54 0.00 0.00 175.26 175.55 2gfg s ARG 9 N 0.12 1.62 0.13 4.30 1.81 -0.74 -4.97 118.95 121.21 2gfg s ARG 9 Ca -0.00 -0.98 -0.13 0.00 -1.72 0.00 0.00 55.73 52.90 2gfg s ARG 9 Cb -0.01 -1.73 0.02 0.00 -0.45 0.00 0.00 34.95 32.77 2gfg s ARG 9 CO 0.00 0.45 0.34 -1.59 -0.68 0.00 0.00 175.30 173.82 2gfg s LYS 10 N -1.10 1.06 -0.08 3.54 -2.85 -1.26 -0.02 119.74 119.04 2gfg s LYS 10 Ca 0.09 -0.89 -0.27 0.00 -1.00 0.00 0.00 55.97 53.90 2gfg s LYS 10 Cb -0.09 0.42 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2gfg s LYS 10 CO 0.01 -0.40 0.62 -0.08 0.10 0.00 0.00 175.35 175.60 2gfg s THR 11 N -3.86 0.01 0.47 3.79 -1.32 -0.70 -4.88 115.64 109.16 2gfg s THR 11 Ca 0.07 -0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 2gfg s THR 11 Cb 0.03 -0.93 -0.08 0.00 -1.51 0.00 0.00 72.50 70.01 2gfg s THR 11 CO -0.08 -0.04 1.07 -0.76 -2.21 0.00 0.00 174.62 172.60 2gfg s LEU 12 N -0.95 3.91 0.19 9.08 1.43 -1.26 -1.71 118.68 129.36 2gfg s LEU 12 Ca -0.10 2.03 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 2gfg s LEU 12 Cb -0.02 -4.45 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 2gfg s LEU 12 CO 0.08 -0.80 -0.07 0.68 0.23 0.00 0.00 176.35 176.47 2gfg s VAL 13 N -1.84 1.18 0.74 -1.59 -7.23 0.16 -4.66 120.40 107.16 2gfg s VAL 13 Ca 0.66 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2gfg s VAL 13 Cb -0.20 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.70 2gfg s VAL 13 CO 0.24 -0.56 1.08 -0.94 -0.31 0.00 0.00 175.10 174.61 2gfg s SER 14 N -3.24 5.09 0.28 4.85 1.04 -1.26 -3.96 113.70 116.49 2gfg s SER 14 Ca 0.22 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 57.98 2gfg s SER 14 Cb 0.03 -2.16 0.43 0.00 0.10 0.00 0.00 66.02 64.42 2gfg s SER 14 CO 0.04 -1.60 1.91 0.50 0.98 0.00 0.00 173.24 175.08 2gfg h LYS 15 N -0.83 1.12 -0.07 4.02 3.64 -1.99 -0.20 116.57 122.27 2gfg h LYS 15 Ca -0.45 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2gfg h LYS 15 Cb 1.24 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2gfg h LYS 15 CO 0.60 0.74 -0.00 0.93 -2.27 0.00 0.00 179.45 179.45 2gfg h GLU 16 N 1.16 0.12 -0.54 1.90 3.07 -1.99 -1.06 114.58 117.24 2gfg h GLU 16 Ca 0.40 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.27 2gfg h GLU 16 Cb 0.10 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.95 2gfg h GLU 16 CO -0.14 0.39 0.27 1.15 -1.40 0.00 0.00 179.01 179.28 2gfg h THR 17 N -0.16 0.93 -0.60 1.13 2.02 -1.90 -0.65 112.91 113.67 2gfg h THR 17 Ca 0.02 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2gfg h THR 17 Cb 0.34 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2gfg h THR 17 CO 0.00 0.09 0.37 0.15 0.37 0.00 0.00 175.52 176.51 2gfg h PHE 18 N 0.51 0.69 -0.46 3.16 3.57 -0.80 -0.96 116.94 122.66 2gfg h PHE 18 Ca 0.24 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 2gfg h PHE 18 Cb 0.17 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2gfg h PHE 18 CO -0.11 0.40 -0.16 0.87 -2.23 0.00 0.00 178.31 177.08 2gfg h LYS 19 N 0.73 0.89 -0.67 1.11 1.57 -0.93 -2.06 116.57 117.21 2gfg h LYS 19 Ca 0.24 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2gfg h LYS 19 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2gfg h LYS 19 CO -0.10 0.98 0.39 -0.09 -0.57 0.00 0.00 179.45 180.06 2gfg h ARG 20 N 0.78 0.91 -0.52 3.15 2.43 -0.69 -1.97 114.38 118.47 2gfg h ARG 20 Ca 0.12 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2gfg h ARG 20 Cb 0.70 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2gfg h ARG 20 CO 0.05 0.66 0.15 -0.07 -1.51 0.00 0.00 179.97 179.26 2gfg h LEU 21 N 0.91 0.77 -0.49 3.80 3.38 -1.04 0.12 115.31 122.76 2gfg h LEU 21 Ca 0.24 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2gfg h LEU 21 Cb -0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2gfg h LEU 21 CO -0.04 0.78 0.16 0.40 0.09 0.00 0.00 178.44 179.82 2gfg h ILE 22 N 0.72 0.81 -0.27 1.22 2.04 -1.21 0.60 117.51 121.42 2gfg h ILE 22 Ca 0.17 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2gfg h ILE 22 Cb 0.29 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2gfg h ILE 22 CO -0.00 0.06 -0.09 -1.28 0.00 0.00 0.00 178.15 176.83 2gfg h SER 23 N 0.32 0.55 -0.03 1.72 0.87 -1.07 -0.17 113.55 115.74 2gfg h SER 23 Ca 0.24 -0.39 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 2gfg h SER 23 Cb 0.26 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2gfg h SER 23 CO -0.25 0.81 -0.44 1.56 -0.53 0.00 0.00 176.83 177.98 2gfg h GLN 24 N 0.28 0.57 -0.05 2.24 4.20 -0.56 -2.90 115.11 118.89 2gfg h GLN 24 Ca 0.06 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2gfg h GLN 24 Cb 0.59 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2gfg h GLN 24 CO 0.03 0.90 0.00 1.28 -0.67 0.00 0.00 178.83 180.37 2gfg n LEU 25 N -4.01 1.58 -3.56 1.46 4.77 0.18 -4.97 117.00 112.46 2gfg n LEU 25 Ca -0.02 -0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 55.21 2gfg n LEU 25 Cb 0.54 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2gfg n LEU 25 CO 0.46 0.28 0.02 1.57 -1.33 0.00 0.00 177.39 178.38 2gfg n HIS 26 N 0.24 -2.05 -3.27 -1.77 -0.00 -0.65 -4.97 115.22 102.76 2gfg n HIS 26 Ca 0.18 0.88 -0.39 0.00 -0.00 0.00 0.00 57.72 58.39 2gfg n HIS 26 Cb 0.36 -4.69 -0.07 0.00 -0.00 0.00 0.00 29.99 25.58 2gfg n HIS 26 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2gfg s ILE 27 N -3.52 5.11 0.55 3.57 1.01 -0.17 -5.05 121.20 122.71 2gfg s ILE 27 Ca 0.02 0.88 -0.04 0.00 0.00 0.00 0.00 60.65 61.51 2gfg s ILE 27 Cb -0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2gfg s ILE 27 CO 0.77 0.16 0.84 -0.83 0.00 0.00 0.00 174.94 175.89 2gfg s GLY 28 N 1.25 1.59 0.34 6.18 0.00 -1.26 -4.80 107.32 110.62 2gfg s GLY 28 Ca 0.22 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.20 2gfg s GLY 28 CO 0.09 -0.52 2.00 0.83 0.00 0.00 0.00 173.10 175.51 2gfg h GLU 29 N -0.01 0.88 0.00 2.90 4.39 -1.98 -1.85 114.58 118.91 2gfg h GLU 29 Ca -0.46 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.17 2gfg h GLU 29 Cb 1.25 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2gfg h GLU 29 CO 0.60 0.58 -0.08 0.78 -1.16 0.00 0.00 179.01 179.73 2gfg h GLY 30 N 0.91 0.00 2.00 -3.84 0.00 -2.03 -2.68 103.07 97.42 2gfg h GLY 30 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2gfg h GLY 30 CO -0.05 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.94 2gfg h ASP 31 N 0.00 0.00 -3.36 0.19 3.32 -1.72 -3.43 116.42 111.42 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 0.29 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2gfg h ASP 31 CO 0.01 0.00 0.15 -0.36 -1.72 0.00 0.00 179.24 177.32 2gfg s PHE 32 N -3.29 3.54 -0.11 4.55 0.08 -1.01 -4.29 117.98 117.45 2gfg s PHE 32 Ca 0.06 1.25 0.01 0.00 0.12 0.00 0.00 56.93 58.38 2gfg s PHE 32 Cb 0.09 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2gfg s PHE 32 CO 0.54 0.02 -0.15 0.15 -0.10 0.00 0.00 175.22 175.68 2gfg s LYS 33 N 1.09 3.22 0.26 0.44 -0.14 -0.10 -4.86 119.74 119.65 2gfg s LYS 33 Ca 0.38 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.98 2gfg s LYS 33 Cb -0.18 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.33 2gfg s LYS 33 CO 0.17 0.26 1.01 -0.48 -0.76 0.00 0.00 175.35 175.56 2gfg s LEU 34 N 0.20 4.59 -0.01 3.17 2.34 -1.26 -1.58 118.68 126.13 2gfg s LEU 34 Ca -0.09 2.09 -0.03 0.00 0.06 0.00 0.00 54.13 56.16 2gfg s LEU 34 Cb -0.15 -3.64 0.00 0.00 -0.56 0.00 0.00 46.19 41.84 2gfg s LEU 34 CO 0.05 0.00 0.07 0.00 -1.06 0.00 0.00 176.35 175.42 2gfg s GLN 35 N -1.35 0.24 -0.14 1.48 -2.07 0.74 -4.49 119.66 114.07 2gfg s GLN 35 Ca 0.43 -0.17 0.02 0.00 -1.82 0.00 0.00 55.36 53.82 2gfg s GLN 35 Cb -0.28 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 31.74 2gfg s GLN 35 CO 0.36 -0.05 -0.20 1.03 -1.32 0.00 0.00 175.29 175.11 2gfg s ARG 36 N -0.63 3.10 -0.31 9.60 0.52 -0.52 0.39 118.95 131.10 2gfg s ARG 36 Ca -0.07 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 54.25 2gfg s ARG 36 Cb -0.04 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2gfg s ARG 36 CO 0.00 0.04 0.10 -0.80 0.02 0.00 0.00 175.30 174.66 2gfg s ASN 37 N 0.71 5.26 -0.33 0.23 0.01 0.19 -0.89 114.94 120.12 2gfg s ASN 37 Ca -0.09 -0.81 -0.19 0.00 -0.71 0.00 0.00 52.86 51.06 2gfg s ASN 37 Cb -0.16 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.59 2gfg s ASN 37 CO 0.01 -0.24 0.55 -1.00 -1.51 0.00 0.00 177.10 174.91 2gfg s HIS 38 N 1.49 3.19 -0.06 2.20 3.76 0.43 -0.23 115.29 126.08 2gfg s HIS 38 Ca 0.02 0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 55.21 2gfg s HIS 38 Cb -0.18 -2.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 2gfg s HIS 38 CO 0.03 -0.51 0.17 0.71 -0.85 0.00 0.00 174.74 174.29 2gfg s TYR 39 N 2.47 3.57 0.07 1.40 2.02 -0.18 -0.95 117.35 125.74 2gfg s TYR 39 Ca 0.21 0.44 0.09 0.00 -0.37 0.00 0.00 57.07 57.44 2gfg s TYR 39 Cb -0.15 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2gfg s TYR 39 CO 0.13 0.69 -0.26 -0.06 -1.57 0.00 0.00 175.55 174.47 2gfg s PHE 40 N -1.20 2.26 0.08 2.71 0.40 -0.77 -1.13 117.98 120.33 2gfg s PHE 40 Ca 0.22 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.89 2gfg s PHE 40 Cb -0.12 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 42.16 2gfg s PHE 40 CO 0.13 0.18 0.65 -2.00 0.70 0.00 0.00 175.22 174.87 2gfg s GLU 41 N -1.45 1.17 0.54 0.44 2.56 -0.42 -4.35 118.70 117.19 2gfg s GLU 41 Ca 0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 54.97 54.78 2gfg s GLU 41 Cb -0.10 0.54 -0.02 0.00 2.00 0.00 0.00 34.13 36.56 2gfg s GLU 41 CO 0.03 -0.48 0.85 0.95 -0.56 0.00 0.00 175.26 176.06 2gfg s THR 42 N -2.95 4.43 0.33 -1.70 -4.23 -1.26 -1.05 115.64 109.22 2gfg s THR 42 Ca -0.02 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.74 2gfg s THR 42 Cb -0.01 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.26 2gfg s THR 42 CO -0.06 -0.75 1.85 0.44 -0.54 0.00 0.00 174.62 175.57 2gfg h ASP 43 N 0.02 0.45 -0.37 3.99 3.32 -1.97 -2.09 116.42 119.77 2gfg h ASP 43 Ca -0.46 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2gfg h ASP 43 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2gfg h ASP 43 CO 0.61 0.57 0.00 -0.90 -1.72 0.00 0.00 179.24 177.80 2gfg n ASP 44 N -4.25 2.15 -3.42 6.45 5.75 -1.26 -4.97 116.55 117.00 2gfg n ASP 44 Ca 0.01 -2.05 -0.18 0.00 -0.01 0.00 0.00 54.79 52.55 2gfg n ASP 44 Cb 0.28 -0.29 0.07 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.57 -2.24 -0.04 2.11 3.72 -0.79 -4.93 117.46 115.85 2gfg n PHE 45 Ca 0.13 0.84 -0.13 0.00 -0.05 0.00 0.00 57.45 58.23 2gfg n PHE 45 Cb 0.36 -4.38 -0.08 0.00 -0.94 0.00 0.00 39.48 34.44 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 -1.53 0.28 -0.19 -1.08 1.08 -1.94 -1.94 115.11 109.80 2gfg h GLN 46 Ca -0.61 -0.16 0.02 0.00 -1.45 0.00 0.00 58.65 56.45 2gfg h GLN 46 Cb 1.33 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.75 2gfg h GLN 46 CO 0.48 0.71 0.07 -0.07 -0.95 0.00 0.00 178.83 179.07 2gfg h LEU 47 N -0.13 0.08 -0.69 1.46 3.38 -1.92 -0.89 115.31 116.60 2gfg h LEU 47 Ca 0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2gfg h LEU 47 Cb 0.67 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 2gfg h LEU 47 CO 0.03 0.08 0.31 0.50 0.09 0.00 0.00 178.44 179.45 2gfg h LYS 48 N 0.16 0.50 0.00 1.13 1.63 -1.66 0.83 116.57 119.17 2gfg h LYS 48 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2gfg h LYS 48 Cb 0.05 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2gfg h LYS 48 CO -0.08 0.33 0.00 0.87 -3.45 0.00 0.00 179.45 177.12 2gfg h LYS 49 N 0.52 0.00 -0.64 1.90 1.57 -0.89 -0.83 116.57 118.20 2gfg h LYS 49 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2gfg h LYS 49 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2gfg h LYS 49 CO -0.30 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.62 2gfg n GLN 50 N -3.05 3.52 -4.07 3.15 1.13 -0.31 -4.96 117.38 112.79 2gfg n GLN 50 Ca 0.01 -2.57 -0.29 0.00 -1.94 0.00 0.00 57.00 52.20 2gfg n GLN 50 Cb 0.29 -1.86 -0.03 0.00 0.11 0.00 0.00 30.24 28.76 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 0.96 -1.30 -4.34 1.08 7.64 -0.32 -4.55 113.62 112.80 2gfg n SER 51 Ca 0.23 -1.02 -0.17 0.00 1.01 0.00 0.00 58.87 58.92 2gfg n SER 51 Cb 0.83 -2.87 -0.10 0.00 -1.01 0.00 0.00 64.21 61.05 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 -4.00 1.69 -0.01 6.43 0.01 0.14 -4.18 113.70 113.78 2gfg s SER 52 Ca 0.26 -1.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.20 2gfg s SER 52 Cb -0.14 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2gfg s SER 52 CO 0.91 -0.58 0.09 0.00 0.41 0.00 0.00 173.24 174.06 2gfg s ALA 53 N -3.51 -0.20 -0.04 1.44 0.00 -0.46 -3.88 121.76 115.11 2gfg s ALA 53 Ca 0.31 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.24 2gfg s ALA 53 Cb 0.07 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2gfg s ALA 53 CO 0.10 -0.13 -0.10 -1.17 0.00 0.00 0.00 175.76 174.46 2gfg s LEU 54 N -0.82 1.70 0.06 0.00 2.96 -1.26 -0.98 118.68 120.33 2gfg s LEU 54 Ca -0.09 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.47 2gfg s LEU 54 Cb -0.05 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 46.03 2gfg s LEU 54 CO 0.00 0.05 0.31 0.00 -1.32 0.00 0.00 176.35 175.39 2gfg s ARG 55 N 0.39 0.86 -0.21 1.98 1.70 -0.46 -1.85 118.95 121.35 2gfg s ARG 55 Ca -0.07 -0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 54.57 2gfg s ARG 55 Cb -0.11 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 2gfg s ARG 55 CO 0.01 -0.28 -0.05 0.42 -1.08 0.00 0.00 175.30 174.32 2gfg s ILE 56 N -2.88 3.42 -0.11 4.99 1.01 -0.13 -0.45 121.20 127.06 2gfg s ILE 56 Ca -0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2gfg s ILE 56 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2gfg s ILE 56 CO -0.05 0.43 0.15 -0.60 0.00 0.00 0.00 174.94 174.87 2gfg s ARG 57 N 1.30 3.46 -0.15 2.79 3.52 0.24 -0.43 118.95 129.67 2gfg s ARG 57 Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2gfg s ARG 57 Cb -0.14 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2gfg s ARG 57 CO -0.02 0.77 -0.15 -2.00 -0.81 0.00 0.00 175.30 173.09 2gfg s GLU 58 N -1.08 3.23 -0.19 5.12 2.12 -0.07 -1.23 118.70 126.61 2gfg s GLU 58 Ca 0.16 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 2gfg s GLU 58 Cb -0.12 -2.63 0.10 0.00 0.26 0.00 0.00 34.13 31.74 2gfg s GLU 58 CO 0.05 0.03 0.31 0.21 -0.54 0.00 0.00 175.26 175.33 2gfg s LYS 59 N 0.77 0.25 -1.26 4.30 2.20 -0.57 -1.44 119.74 124.00 2gfg s LYS 59 Ca -0.06 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 2gfg s LYS 59 Cb -0.15 -0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 35.77 2gfg s LYS 59 CO 0.01 -0.48 0.75 0.39 -0.36 0.00 0.00 175.35 175.65 2gfg n GLU 60 N 5.35 -4.32 -1.86 4.03 1.02 -1.26 -1.63 120.64 121.97 2gfg n GLU 60 Ca -0.06 0.64 -0.18 0.00 -0.02 0.00 0.00 57.16 57.54 2gfg n GLU 60 Cb 0.50 -5.15 -0.05 0.00 -0.02 0.00 0.00 31.44 26.72 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 -4.16 -0.39 -3.49 0.62 0.00 -1.26 -4.99 120.51 106.84 2gfg n ALA 61 Ca -0.26 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2gfg n ALA 61 Cb 0.66 -1.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.78 1.79 -0.20 0.00 -1.09 -0.64 -5.02 121.20 113.26 2gfg s ILE 62 Ca 0.00 -0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 57.51 2gfg s ILE 62 Cb 0.00 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 2gfg s ILE 62 CO 0.00 0.50 0.06 -0.36 -1.23 0.00 0.00 174.94 173.91 2gfg s PHE 63 N 0.68 3.20 -0.11 3.97 0.40 -1.26 -1.51 117.98 123.35 2gfg s PHE 63 Ca -0.12 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 2gfg s PHE 63 Cb -0.16 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 41.27 2gfg s PHE 63 CO 0.03 0.03 -0.17 0.99 0.70 0.00 0.00 175.22 176.79 2gfg s THR 64 N 0.67 1.60 -0.34 0.64 2.01 -0.36 -0.04 115.64 119.82 2gfg s THR 64 Ca 0.03 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 2gfg s THR 64 Cb -0.13 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2gfg s THR 64 CO 0.02 0.46 0.45 0.12 -0.69 0.00 0.00 174.62 174.98 2gfg s PHE 65 N 0.86 3.20 -0.06 4.92 5.36 0.19 -0.59 117.98 131.86 2gfg s PHE 65 Ca -0.09 0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 2gfg s PHE 65 Cb -0.15 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.73 2gfg s PHE 65 CO 0.00 -0.48 -0.13 0.99 -1.46 0.00 0.00 175.22 174.15 2gfg s THR 66 N 2.24 1.13 -0.13 0.12 2.01 0.41 -0.85 115.64 120.56 2gfg s THR 66 Ca 0.16 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2gfg s THR 66 Cb -0.16 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2gfg s THR 66 CO 0.12 0.35 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.02 2gfg s LEU 67 N 0.48 2.52 -0.15 4.42 2.96 -0.39 -1.36 118.68 127.16 2gfg s LEU 67 Ca -0.11 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2gfg s LEU 67 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2gfg s LEU 67 CO 0.03 0.13 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.64 2gfg s LYS 68 N 0.53 3.67 0.13 1.98 1.02 -0.15 -0.51 119.74 126.40 2gfg s LYS 68 Ca -0.10 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 2gfg s LYS 68 Cb -0.16 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2gfg s LYS 68 CO 0.04 0.30 0.25 1.14 -0.92 0.00 0.00 175.35 176.16 2gfg s GLN 69 N 0.23 1.01 0.66 1.68 -2.07 -0.30 -1.35 119.66 119.53 2gfg s GLN 69 Ca -0.01 -1.04 -0.17 0.00 -1.82 0.00 0.00 55.36 52.31 2gfg s GLN 69 Cb -0.13 0.37 -0.00 0.00 -1.09 0.00 0.00 33.01 32.15 2gfg s GLN 69 CO 0.02 -0.35 1.27 -2.14 -1.32 0.00 0.00 175.29 172.77 2gfg s PRO 70 N -3.91 2.46 -0.04 9.60 0.02 -1.26 -0.17 135.00 141.70 2gfg s PRO 70 Ca 0.11 2.00 -0.25 0.00 0.02 0.00 0.00 61.00 62.87 2gfg s PRO 70 Cb 0.04 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.77 2gfg s PRO 70 CO -0.06 -1.65 0.54 -1.58 -0.33 0.00 0.00 177.00 173.93 2gfg s HIS 71 N -1.52 -0.48 0.23 6.54 2.46 -1.25 -4.44 115.29 116.81 2gfg s HIS 71 Ca 0.81 0.82 -0.06 0.00 0.47 0.00 0.00 55.06 57.10 2gfg s HIS 71 Cb -0.36 0.29 0.38 0.00 -0.13 0.00 0.00 32.58 32.76 2gfg s HIS 71 CO 0.41 -0.52 1.74 -1.35 -2.47 0.00 0.00 174.74 172.54 2gfg h PRO 72 N 3.37 0.43 -5.21 2.88 0.11 -1.99 -3.38 132.00 128.21 2gfg h PRO 72 Ca -0.28 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.16 2gfg h PRO 72 Cb 1.15 -0.10 -0.24 0.00 0.11 0.00 0.00 31.00 31.92 2gfg h PRO 72 CO 0.39 0.28 -0.70 0.00 -0.21 0.00 0.00 178.00 177.76 2gfg s ALA 73 N -6.05 2.87 0.00 -0.75 0.00 -1.26 -5.02 121.76 111.55 2gfg s ALA 73 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2gfg s ALA 73 Cb 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2gfg s ALA 73 CO 0.76 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.95 2gfg n GLY 74 N 3.91 1.99 3.34 0.00 0.00 -1.26 -4.75 105.19 108.43 2gfg n GLY 74 Ca -0.18 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 2gfg n GLY 74 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gfg s LEU 75 N 0.00 2.51 -0.30 0.99 0.05 -0.93 -3.93 118.68 117.08 2gfg s LEU 75 Ca 0.00 -0.96 -0.16 0.00 0.05 0.00 0.00 54.13 53.06 2gfg s LEU 75 Cb 0.00 -0.75 -0.02 0.00 -2.05 0.00 0.00 46.19 43.37 2gfg s LEU 75 CO 0.00 -0.11 0.43 -0.22 -0.55 0.00 0.00 176.35 175.90 2gfg s LEU 76 N -3.07 4.18 -0.21 1.48 2.96 0.76 -1.40 118.68 123.38 2gfg s LEU 76 Ca 0.20 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 2gfg s LEU 76 Cb -0.03 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2gfg s LEU 76 CO 0.07 -0.30 0.06 -0.70 -1.32 0.00 0.00 176.35 174.16 2gfg s GLU 77 N 2.17 3.83 -0.19 1.98 2.12 0.14 -1.14 118.70 127.60 2gfg s GLU 77 Ca 0.16 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 2gfg s GLU 77 Cb -0.16 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2gfg s GLU 77 CO 0.11 0.09 -0.08 0.99 -0.54 0.00 0.00 175.26 175.83 2gfg s THR 78 N 0.88 3.20 -0.07 -1.70 2.01 0.33 -0.19 115.64 120.09 2gfg s THR 78 Ca 0.03 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.52 2gfg s THR 78 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2gfg s THR 78 CO 0.02 0.46 -0.25 0.20 -0.69 0.00 0.00 174.62 174.37 2gfg s ASN 79 N 1.15 3.07 -0.08 3.53 0.01 -0.63 -1.26 114.94 120.74 2gfg s ASN 79 Ca 0.02 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2gfg s ASN 79 Cb -0.14 -1.06 0.03 0.00 0.41 0.00 0.00 41.25 40.48 2gfg s ASN 79 CO -0.02 0.21 -0.00 -1.58 -1.51 0.00 0.00 177.10 174.20 2gfg s GLN 80 N 0.03 0.69 0.15 -0.60 0.74 -0.03 -4.75 119.66 115.88 2gfg s GLN 80 Ca -0.10 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.08 2gfg s GLN 80 Cb -0.15 -1.04 -0.08 0.00 1.10 0.00 0.00 33.01 32.83 2gfg s GLN 80 CO 0.06 -0.31 1.27 0.99 -0.55 0.00 0.00 175.29 176.75 2gfg s THR 81 N 1.95 3.50 0.14 -0.34 2.01 -1.26 0.55 115.64 122.18 2gfg s THR 81 Ca 0.05 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.29 2gfg s THR 81 Cb -0.12 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2gfg s THR 81 CO -0.06 0.15 0.01 -0.76 -0.69 0.00 0.00 174.62 173.27 2gfg s LEU 82 N 0.29 3.39 0.81 4.42 1.43 0.94 -4.88 118.68 125.08 2gfg s LEU 82 Ca 0.57 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 2gfg s LEU 82 Cb -0.34 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 43.89 2gfg s LEU 82 CO 0.35 0.12 1.13 -0.94 0.23 0.00 0.00 176.35 177.24 2gfg s SER 83 N -2.72 4.45 0.28 2.29 1.04 -1.26 -4.07 113.70 113.71 2gfg s SER 83 Ca 0.27 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.70 2gfg s SER 83 Cb -0.10 -1.64 0.41 0.00 0.10 0.00 0.00 66.02 64.79 2gfg s SER 83 CO 0.19 -1.96 1.82 0.50 0.98 0.00 0.00 173.24 174.77 2gfg h LYS 84 N -1.09 0.80 0.06 4.02 3.64 -1.96 -1.13 116.57 120.91 2gfg h LYS 84 Ca -0.47 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 58.77 2gfg h LYS 84 Cb 1.30 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2gfg h LYS 84 CO 0.63 0.73 -0.31 0.37 -2.27 0.00 0.00 179.45 178.61 2gfg h GLN 85 N 0.77 -0.47 -0.76 1.90 4.15 -1.99 0.04 115.11 118.75 2gfg h GLN 85 Ca 0.17 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 2gfg h GLN 85 Cb 0.31 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2gfg h GLN 85 CO 0.00 -0.31 0.28 0.93 -1.93 0.00 0.00 178.83 177.80 2gfg h GLU 86 N -0.49 1.15 -0.36 1.69 5.08 -1.87 -1.75 114.58 118.03 2gfg h GLU 86 Ca 0.05 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2gfg h GLU 86 Cb 0.55 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2gfg h GLU 86 CO -0.22 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 178.79 2gfg h ALA 87 N 1.14 0.48 -0.64 3.43 0.00 -1.07 -1.27 119.26 121.34 2gfg h ALA 87 Ca 0.25 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gfg h ALA 87 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2gfg h ALA 87 CO -0.02 0.20 0.19 0.87 0.00 0.00 0.00 179.25 180.49 2gfg h LYS 88 N 0.44 1.00 -0.71 0.00 1.57 -0.84 0.23 116.57 118.26 2gfg h LYS 88 Ca 0.11 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2gfg h LYS 88 Cb 0.37 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2gfg h LYS 88 CO 0.01 0.88 0.28 -0.07 -0.57 0.00 0.00 179.45 179.98 2gfg h LEU 89 N 0.92 0.98 -0.24 2.94 3.38 -1.27 0.11 115.31 122.13 2gfg h LEU 89 Ca 0.20 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2gfg h LEU 89 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2gfg h LEU 89 CO -0.00 0.89 -0.10 0.00 0.09 0.00 0.00 178.44 179.32 2gfg h ALA 90 N 1.13 0.33 0.12 1.53 0.00 -0.83 -1.54 119.26 120.00 2gfg h ALA 90 Ca 0.24 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 2gfg h ALA 90 Cb 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2gfg h ALA 90 CO -0.02 0.17 -1.22 -0.07 0.00 0.00 0.00 179.25 178.12 2gfg h LEU 91 N 0.21 0.69 0.08 0.00 3.38 -0.50 -3.05 115.31 116.12 2gfg h LEU 91 Ca 0.06 -0.66 -0.36 0.00 0.09 0.00 0.00 57.88 57.01 2gfg h LEU 91 Cb 0.59 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2gfg h LEU 91 CO 0.03 1.48 -2.08 -0.62 0.09 0.00 0.00 178.44 177.34 2gfg n GLU 92 N -3.71 0.72 -0.02 1.13 1.02 0.37 -4.58 120.64 115.57 2gfg n GLU 92 Ca -0.11 0.23 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 2gfg n GLU 92 Cb 0.98 -1.67 0.02 0.00 -0.02 0.00 0.00 31.44 30.75 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 -3.35 1.94 -3.50 1.62 3.41 -0.85 -5.01 113.62 107.88 2gfg n SER 93 Ca -0.33 -1.82 -0.25 0.00 -0.26 0.00 0.00 58.87 56.20 2gfg n SER 93 Cb 1.04 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.27 -1.17 -3.46 7.33 0.00 -0.97 -4.97 120.51 117.00 2gfg n ALA 94 Ca 0.02 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 2gfg n ALA 94 Cb 0.23 -4.41 -0.11 0.00 0.00 0.00 0.00 19.45 15.16 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 -3.22 3.38 0.32 0.00 5.04 -0.64 -4.95 115.29 115.22 2gfg s HIS 95 Ca 0.51 -1.80 -0.13 0.00 -1.54 0.00 0.00 55.06 52.10 2gfg s HIS 95 Cb -0.24 -2.80 -0.08 0.00 0.04 0.00 0.00 32.58 29.50 2gfg s HIS 95 CO 0.63 -0.86 0.70 -0.06 -2.34 0.00 0.00 174.74 172.81 2gfg s PHE 96 N 1.32 3.40 0.30 3.88 0.08 -1.26 -2.35 117.98 123.35 2gfg s PHE 96 Ca 0.02 1.11 -0.13 0.00 0.12 0.00 0.00 56.93 58.05 2gfg s PHE 96 Cb -0.22 -2.46 -0.08 0.00 -0.57 0.00 0.00 43.02 39.69 2gfg s PHE 96 CO 0.00 0.09 0.68 -1.25 -0.10 0.00 0.00 175.22 174.64 2gfg s PRO 97 N -3.14 3.92 0.88 0.24 0.04 -1.26 -5.02 135.00 130.66 2gfg s PRO 97 Ca 0.52 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2gfg s PRO 97 Cb -0.10 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 32.06 2gfg s PRO 97 CO 0.21 0.19 1.10 -1.54 0.04 0.00 0.00 177.00 177.00 2gfg s SER 98 N -2.39 3.49 0.00 6.66 1.04 -1.26 -4.94 113.70 116.30 2gfg s SER 98 Ca 0.52 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.79 2gfg s SER 98 Cb -0.10 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2gfg s SER 98 CO 0.20 -2.68 0.00 0.61 0.98 0.00 0.00 173.24 172.34 2gfg n GLY 99 N -0.58 0.93 0.28 7.32 0.00 -1.26 -4.91 105.19 106.97 2gfg n GLY 99 Ca 0.09 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 3.18 0.72 -0.42 1.61 3.07 -1.95 -2.05 114.58 118.74 2gfg h GLU 100 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2gfg h GLU 100 Cb 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2gfg h GLU 100 CO 0.00 0.74 0.00 0.28 -1.40 0.00 0.00 179.01 178.63 2gfg n VAL 101 N -4.23 0.02 0.00 3.13 0.31 -1.26 -1.56 118.33 114.74 2gfg n VAL 101 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2gfg n VAL 101 Cb 0.29 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.38 0.00 -0.16 4.52 8.00 -0.77 -1.02 116.55 127.50 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 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.62 -0.80 2.24 0.00 -1.56 -2.14 119.26 117.61 2gfg h ALA 104 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2gfg h ALA 104 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2gfg h ALA 104 CO 0.00 0.27 0.48 -0.07 0.00 0.00 0.00 179.25 179.94 2gfg h LEU 105 N 0.63 0.76 -0.53 0.00 3.38 -1.34 -1.68 115.31 116.52 2gfg h LEU 105 Ca 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2gfg h LEU 105 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2gfg h LEU 105 CO -0.00 0.49 0.22 0.03 0.09 0.00 0.00 178.44 179.26 2gfg h ARG 106 N 0.89 0.79 0.00 1.13 3.08 -1.73 -2.25 114.38 116.29 2gfg h ARG 106 Ca 0.35 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2gfg h ARG 106 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2gfg h ARG 106 CO -0.17 0.68 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.80 2gfg h ASP 107 N 0.71 0.00 -0.02 7.04 3.32 -1.00 -1.59 116.42 124.88 2gfg h ASP 107 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2gfg h ASP 107 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2gfg h ASP 107 CO -0.02 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 2gfg n LEU 108 N -4.14 0.17 -2.74 1.55 4.77 -0.67 -4.90 117.00 111.04 2gfg n LEU 108 Ca -0.02 -0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.66 2gfg n LEU 108 Cb 0.24 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2gfg n LEU 108 CO 0.35 0.04 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.12 2gfg n SER 109 N -0.55 -5.96 -4.63 -1.43 7.64 -0.60 -4.98 113.62 103.12 2gfg n SER 109 Ca 0.08 -0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.42 2gfg n SER 109 Cb 0.06 -4.88 -0.09 0.00 -1.01 0.00 0.00 64.21 58.29 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 -3.10 5.20 -0.29 0.44 1.01 -0.89 -5.05 121.20 118.52 2gfg s ILE 110 Ca 0.17 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 2gfg s ILE 110 Cb -0.07 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2gfg s ILE 110 CO 0.20 0.20 1.27 -2.16 0.00 0.00 0.00 174.94 174.45 2gfg s PRO 111 N 1.79 3.96 0.31 2.79 0.04 -1.26 -4.44 135.00 138.17 2gfg s PRO 111 Ca 0.15 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2gfg s PRO 111 Cb -0.15 -3.85 0.50 0.00 0.04 0.00 0.00 34.50 31.03 2gfg s PRO 111 CO 0.09 -1.06 1.77 0.82 0.04 0.00 0.00 177.00 178.65 2gfg h ILE 112 N 5.90 1.25 0.00 0.56 1.08 -1.96 -2.03 117.51 122.31 2gfg h ILE 112 Ca -0.25 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.03 2gfg h ILE 112 Cb 1.09 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.18 2gfg h ILE 112 CO 1.03 0.37 -0.04 0.77 -0.69 0.00 0.00 178.15 179.59 2gfg h SER 113 N 0.36 0.00 0.32 1.72 4.64 -1.94 -2.77 113.55 115.89 2gfg h SER 113 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2gfg h SER 113 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2gfg h SER 113 CO 0.04 0.04 -0.46 0.00 -0.87 0.00 0.00 176.83 175.58 2gfg n GLN 114 N -3.27 0.39 -2.10 4.77 6.02 -0.76 -4.92 117.38 117.51 2gfg n GLN 114 Ca -0.02 -0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.30 2gfg n GLN 114 Cb 0.19 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 2gfg n GLN 114 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gfg s LEU 115 N -2.78 4.32 0.09 1.08 1.43 -1.05 -4.26 118.68 117.52 2gfg s LEU 115 Ca 0.16 2.20 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 2gfg s LEU 115 Cb 0.18 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2gfg s LEU 115 CO 0.64 -0.83 -0.23 -0.54 0.23 0.00 0.00 176.35 175.62 2gfg s LYS 116 N 3.14 1.27 0.11 1.70 1.02 -0.21 -4.91 119.74 121.86 2gfg s LYS 116 Ca 0.69 -1.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 2gfg s LYS 116 Cb -0.33 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 2gfg s LYS 116 CO 0.28 0.37 1.55 -1.58 -0.92 0.00 0.00 175.35 175.05 2gfg s HIS 117 N -1.05 2.88 -0.34 3.18 5.65 -1.26 -1.30 115.29 123.05 2gfg s HIS 117 Ca 0.09 0.61 0.06 0.00 0.25 0.00 0.00 55.06 56.07 2gfg s HIS 117 Cb -0.10 -3.87 -0.06 0.00 -1.18 0.00 0.00 32.58 27.37 2gfg s HIS 117 CO 0.04 -3.27 0.30 0.44 -0.65 0.00 0.00 174.74 171.59 2gfg n ILE 118 N 4.26 0.00 0.00 0.89 -5.35 -0.28 -4.92 119.36 113.96 2gfg n ILE 118 Ca 0.14 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2gfg n ILE 118 Cb 0.40 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 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 1.12 3.65 3.05 3.28 0.00 -1.25 -4.98 105.19 110.06 2gfg n GLY 119 Ca 0.01 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 1.86 -0.20 2.61 2.01 -1.26 -1.02 115.64 117.65 2gfg s THR 120 Ca 0.00 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.87 2gfg s THR 120 Cb 0.00 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2gfg s THR 120 CO 0.00 0.29 0.09 -0.22 -0.69 0.00 0.00 174.62 174.09 2gfg s LEU 121 N 1.32 3.93 0.02 4.42 2.96 0.69 -4.88 118.68 127.15 2gfg s LEU 121 Ca 0.00 0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.85 2gfg s LEU 121 Cb -0.15 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 2gfg s LEU 121 CO -0.09 0.14 0.47 -0.44 -1.32 0.00 0.00 176.35 175.11 2gfg s SER 122 N 0.56 6.90 -0.05 3.68 0.01 -0.58 0.54 113.70 124.76 2gfg s SER 122 Ca 0.05 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2gfg s SER 122 Cb -0.12 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.84 2gfg s SER 122 CO 0.01 0.28 -0.02 -0.89 0.41 0.00 0.00 173.24 173.03 2gfg s THR 123 N -0.96 0.39 -0.28 1.44 2.01 0.16 -0.01 115.64 118.40 2gfg s THR 123 Ca 0.26 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 2gfg s THR 123 Cb -0.18 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2gfg s THR 123 CO 0.15 0.21 0.41 -0.55 -0.69 0.00 0.00 174.62 174.15 2gfg s SER 124 N 1.20 6.28 -0.06 3.53 0.15 0.48 -0.19 113.70 125.09 2gfg s SER 124 Ca -0.07 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.89 2gfg s SER 124 Cb -0.14 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2gfg s SER 124 CO -0.02 -0.23 -0.16 -0.60 1.20 0.00 0.00 173.24 173.43 2gfg s ARG 125 N 2.13 1.97 0.02 5.44 3.52 -0.62 -1.03 118.95 130.39 2gfg s ARG 125 Ca 0.16 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.25 2gfg s ARG 125 Cb -0.16 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.59 2gfg s ARG 125 CO 0.10 0.13 -0.14 0.00 -0.81 0.00 0.00 175.30 174.58 2gfg s ALA 126 N 0.37 2.73 0.00 6.12 0.00 -0.74 -0.93 121.76 129.32 2gfg s ALA 126 Ca -0.11 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 50.78 2gfg s ALA 126 Cb -0.15 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 2gfg s ALA 126 CO 0.04 0.59 -0.18 -1.21 0.00 0.00 0.00 175.76 175.00 2gfg s GLU 127 N -1.38 1.38 -0.01 0.00 2.02 -1.26 -1.14 118.70 118.31 2gfg s GLU 127 Ca 0.15 -0.70 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 2gfg s GLU 127 Cb -0.11 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.77 2gfg s GLU 127 CO 0.06 0.37 0.27 -1.50 0.02 0.00 0.00 175.26 174.48 2gfg s ILE 128 N -0.52 0.06 0.18 -1.63 2.07 -0.56 -5.00 121.20 115.79 2gfg s ILE 128 Ca 0.06 -0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 58.50 2gfg s ILE 128 Cb -0.07 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 41.87 2gfg s ILE 128 CO -0.00 -0.28 1.22 -0.94 -1.91 0.00 0.00 174.94 173.03 2gfg s SER 129 N -1.28 7.05 -0.08 4.50 1.04 -1.26 -0.31 113.70 123.34 2gfg s SER 129 Ca -0.13 2.26 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 2gfg s SER 129 Cb -0.06 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.50 2gfg s SER 129 CO 0.04 -0.41 0.08 -0.47 0.98 0.00 0.00 173.24 173.46 2gfg s TYR 130 N 0.05 0.07 0.00 5.02 6.14 -1.04 -4.81 117.35 122.77 2gfg s TYR 130 Ca 0.54 0.13 0.00 0.00 0.64 0.00 0.00 57.07 58.38 2gfg s TYR 130 Cb -0.33 -0.52 0.00 0.00 0.42 0.00 0.00 41.96 41.53 2gfg s TYR 130 CO 0.36 -0.30 0.00 0.39 0.64 0.00 0.00 175.55 176.65 2gfg n GLU 131 N 5.30 0.00 -0.67 4.97 -0.58 -1.26 -1.62 120.64 126.78 2gfg n GLU 131 Ca -0.04 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2gfg n GLU 131 Cb 0.50 0.00 0.35 0.00 -0.57 0.00 0.00 31.44 31.71 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 3.93 0.00 3.49 6.02 -1.26 -4.95 117.38 138.60 2gfg n GLN 132 Ca 0.00 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.26 2gfg n GLN 132 Cb 0.00 -1.99 0.00 0.00 1.02 0.00 0.00 30.24 29.27 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 0.89 6.31 2.94 1.08 0.00 -0.64 -4.72 105.19 111.04 2gfg n GLY 133 Ca 0.24 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.10 0.85 -0.25 -0.61 1.01 -0.72 -2.49 121.20 118.90 2gfg s ILE 134 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 2gfg s ILE 134 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2gfg s ILE 134 CO 0.00 0.31 0.30 -0.22 0.00 0.00 0.00 174.94 175.32 2gfg s LEU 135 N 1.05 4.08 -0.13 2.97 2.96 0.57 -0.40 118.68 129.78 2gfg s LEU 135 Ca -0.08 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2gfg s LEU 135 Cb -0.14 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 2gfg s LEU 135 CO -0.00 -0.08 0.00 0.00 -1.32 0.00 0.00 176.35 174.95 2gfg s LEU 137 N -0.13 3.73 -0.20 0.00 1.02 -0.29 -1.21 118.68 121.61 2gfg s LEU 137 Ca 0.04 -0.91 -0.03 0.00 0.02 0.00 0.00 54.13 53.26 2gfg s LEU 137 Cb -0.13 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 2gfg s LEU 137 CO 0.02 -0.20 -0.08 -1.81 0.02 0.00 0.00 176.35 174.30 2gfg s ASP 138 N 1.40 4.11 -0.40 2.29 1.01 0.91 -1.79 116.67 124.20 2gfg s ASP 138 Ca -0.00 -0.40 -0.10 0.00 0.71 0.00 0.00 52.55 52.76 2gfg s ASP 138 Cb -0.18 -1.68 0.06 0.00 1.01 0.00 0.00 42.92 42.12 2gfg s ASP 138 CO -0.00 0.02 0.23 -2.28 0.21 0.00 0.00 175.17 173.35 2gfg s HIS 139 N 1.21 3.29 0.04 4.23 5.65 -0.19 -1.07 115.29 128.45 2gfg s HIS 139 Ca 0.02 -1.29 0.03 0.00 0.25 0.00 0.00 55.06 54.07 2gfg s HIS 139 Cb -0.14 -2.69 -0.04 0.00 -1.18 0.00 0.00 32.58 28.53 2gfg s HIS 139 CO -0.03 -0.76 0.01 -1.12 -0.65 0.00 0.00 174.74 172.20 2gfg s SER 140 N 1.84 5.17 0.01 9.88 0.01 -0.74 -0.38 113.70 129.48 2gfg s SER 140 Ca 0.02 -0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 2gfg s SER 140 Cb -0.21 -1.32 0.01 0.00 0.21 0.00 0.00 66.02 64.71 2gfg s SER 140 CO 0.04 0.23 0.25 -0.94 0.41 0.00 0.00 173.24 173.23 2gfg s SER 141 N -1.93 -0.09 -0.27 2.44 1.04 0.99 -1.93 113.70 113.95 2gfg s SER 141 Ca 0.23 -0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.55 2gfg s SER 141 Cb -0.12 0.29 0.16 0.00 0.10 0.00 0.00 66.02 66.45 2gfg s SER 141 CO 0.15 -0.47 0.44 -0.47 0.98 0.00 0.00 173.24 173.86 2gfg s TYR 142 N -1.75 -1.08 -1.15 5.02 5.04 0.47 -1.53 117.35 122.37 2gfg s TYR 142 Ca -0.11 0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 55.10 2gfg s TYR 142 Cb -0.04 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.31 2gfg s TYR 142 CO 0.01 -0.87 0.78 1.28 -1.34 0.00 0.00 175.55 175.41 2gfg n LEU 143 N 5.37 -2.71 0.00 6.97 4.77 -1.26 -1.91 117.00 128.24 2gfg n LEU 143 Ca -0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2gfg n LEU 143 Cb 0.50 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 2gfg n LEU 143 CO 0.02 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2gfg n GLY 144 N -1.71 3.00 3.71 -0.72 0.00 -1.26 -4.99 105.19 103.22 2gfg n GLY 144 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.25 5.11 -0.03 -0.61 1.01 -0.80 -5.06 121.20 119.57 2gfg s ILE 145 Ca 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 2gfg s ILE 145 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2gfg s ILE 145 CO 0.00 0.26 0.21 -1.83 0.00 0.00 0.00 174.94 173.58 2gfg s GLU 146 N 0.92 0.45 0.24 2.79 -1.05 -1.26 -0.40 118.70 120.39 2gfg s GLU 146 Ca 0.31 -0.11 0.01 0.00 -0.15 0.00 0.00 54.97 55.04 2gfg s GLU 146 Cb -0.16 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 2gfg s GLU 146 CO 0.13 -0.10 0.17 0.16 0.95 0.00 0.00 175.26 176.57 2gfg s ASP 147 N -0.85 0.66 0.03 0.83 1.47 -0.81 -5.02 116.67 112.98 2gfg s ASP 147 Ca -0.09 -1.49 0.06 0.00 1.18 0.00 0.00 52.55 52.21 2gfg s ASP 147 Cb -0.05 0.41 -0.02 0.00 -0.34 0.00 0.00 42.92 42.92 2gfg s ASP 147 CO 0.02 -0.89 -0.18 -0.31 0.68 0.00 0.00 175.17 174.49 2gfg s TYR 148 N -3.93 1.55 -0.08 2.11 1.51 -1.25 -1.80 117.35 115.45 2gfg s TYR 148 Ca 0.39 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.93 2gfg s TYR 148 Cb 0.06 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 2gfg s TYR 148 CO 0.16 0.05 0.42 -2.00 -1.11 0.00 0.00 175.55 173.07 2gfg s GLU 149 N -1.00 0.66 -0.07 -0.62 2.12 -0.23 -0.66 118.70 118.89 2gfg s GLU 149 Ca 0.05 0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.65 2gfg s GLU 149 Cb -0.08 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 2gfg s GLU 149 CO 0.01 -0.15 -0.23 0.96 -0.54 0.00 0.00 175.26 175.30 2gfg s ILE 150 N -0.64 2.19 0.04 -3.70 -4.36 -0.69 -0.06 121.20 113.97 2gfg s ILE 150 Ca -0.07 -1.01 0.06 0.00 -0.26 0.00 0.00 60.65 59.37 2gfg s ILE 150 Cb -0.04 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 2gfg s ILE 150 CO 0.04 0.57 -0.17 -1.61 0.24 0.00 0.00 174.94 174.00 2gfg s GLU 151 N -0.05 1.11 -0.15 0.37 8.01 -0.35 -1.71 118.70 125.92 2gfg s GLU 151 Ca -0.07 -0.84 -0.00 0.00 0.01 0.00 0.00 54.97 54.07 2gfg s GLU 151 Cb -0.15 -1.16 -0.01 0.00 -4.31 0.00 0.00 34.13 28.50 2gfg s GLU 151 CO 0.05 0.29 -0.13 0.12 0.01 0.00 0.00 175.26 175.59 2gfg s PHE 152 N -0.84 2.81 -0.37 1.61 5.36 0.97 0.12 117.98 127.64 2gfg s PHE 152 Ca 0.04 -0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 54.96 2gfg s PHE 152 Cb -0.08 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 2gfg s PHE 152 CO 0.02 -0.39 0.40 -1.21 -1.46 0.00 0.00 175.22 172.57 2gfg s GLU 153 N 0.71 3.40 0.51 10.12 2.02 0.47 -1.79 118.70 134.14 2gfg s GLU 153 Ca -0.06 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.48 2gfg s GLU 153 Cb -0.15 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.25 2gfg s GLU 153 CO 0.02 -0.65 0.51 0.20 0.02 0.00 0.00 175.26 175.36 2gfg s GLY 154 N 1.76 2.12 -0.06 -1.39 0.00 -0.00 -1.76 107.32 107.99 2gfg s GLY 154 Ca 0.12 -1.69 0.20 0.00 0.00 0.00 0.00 44.72 43.35 2gfg s GLY 154 CO 0.12 -1.78 0.42 -1.30 0.00 0.00 0.00 173.10 170.56 2gfg n THR 155 N -1.83 0.59 -3.94 0.90 -2.24 -1.26 -4.28 114.28 102.20 2gfg n THR 155 Ca 0.05 -0.63 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 2gfg n THR 155 Cb 0.63 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.55 2gfg n THR 155 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gfg s SER 156 N -5.00 0.09 0.05 3.42 1.04 -1.26 -5.01 113.70 107.03 2gfg s SER 156 Ca -0.08 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 2gfg s SER 156 Cb 0.11 0.39 -0.16 0.00 0.10 0.00 0.00 66.02 66.47 2gfg s SER 156 CO 0.87 -0.83 1.54 -0.33 0.98 0.00 0.00 173.24 175.47 2gfg h GLU 157 N 2.63 0.07 -0.51 4.02 4.39 -1.98 -1.58 114.58 121.62 2gfg h GLU 157 Ca -0.33 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 2gfg h GLU 157 Cb 1.22 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2gfg h GLU 157 CO 0.52 0.26 0.09 0.93 -1.16 0.00 0.00 179.01 179.65 2gfg h GLU 158 N -0.14 0.84 -0.32 2.33 3.07 -2.00 -2.82 114.58 115.53 2gfg h GLU 158 Ca 0.01 -0.22 -0.17 0.00 -0.50 0.00 0.00 59.36 58.48 2gfg h GLU 158 Cb 0.22 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2gfg h GLU 158 CO -0.00 0.83 -0.47 1.25 -1.40 0.00 0.00 179.01 179.21 2gfg h HIS 159 N 0.72 1.10 -0.62 4.33 2.76 -1.98 -2.80 115.15 118.65 2gfg h HIS 159 Ca 0.16 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2gfg h HIS 159 Cb 0.39 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2gfg h HIS 159 CO 0.03 1.20 0.39 0.00 -1.30 0.00 0.00 177.93 178.24 2gfg h ALA 160 N 0.71 1.52 -0.01 5.26 0.00 -1.25 0.21 119.26 125.70 2gfg h ALA 160 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gfg h ALA 160 Cb 1.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2gfg h ALA 160 CO 0.11 0.43 -0.00 1.15 0.00 0.00 0.00 179.25 180.94 2gfg h THR 161 N 0.85 1.31 -0.40 0.00 2.02 -1.47 -0.13 112.91 115.09 2gfg h THR 161 Ca 0.23 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.54 2gfg h THR 161 Cb -0.06 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 2gfg h THR 161 CO -0.05 0.24 0.06 0.58 0.37 0.00 0.00 175.52 176.73 2gfg h VAL 162 N -0.35 0.77 -0.32 3.16 2.07 -1.20 -1.89 116.25 118.48 2gfg h VAL 162 Ca 0.00 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2gfg h VAL 162 Cb 0.40 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2gfg h VAL 162 CO 0.00 0.03 -0.14 0.74 0.02 0.00 0.00 177.57 178.23 2gfg h THR 163 N 0.18 1.29 -0.69 2.57 2.02 -0.57 -2.12 112.91 115.60 2gfg h THR 163 Ca 0.20 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.07 2gfg h THR 163 Cb 0.25 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2gfg h THR 163 CO -0.27 0.40 0.17 0.15 0.37 0.00 0.00 175.52 176.33 2gfg h PHE 164 N 0.43 1.15 -0.53 3.16 3.57 -0.91 0.45 116.94 124.26 2gfg h PHE 164 Ca 0.07 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 2gfg h PHE 164 Cb 0.66 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2gfg h PHE 164 CO 0.06 0.94 0.12 1.96 -2.23 0.00 0.00 178.31 179.15 2gfg h GLN 165 N 1.04 0.82 -0.62 1.11 1.08 -1.28 -0.13 115.11 117.13 2gfg h GLN 165 Ca 0.22 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2gfg h GLN 165 Cb 0.37 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 2gfg h GLN 165 CO 0.00 0.74 0.29 1.49 -0.95 0.00 0.00 178.83 180.40 2gfg h GLU 166 N 0.79 0.90 -0.62 1.46 4.81 -0.86 -1.82 114.58 119.23 2gfg h GLU 166 Ca 0.17 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2gfg h GLU 166 Cb 0.30 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2gfg h GLU 166 CO 0.00 0.73 0.39 0.82 -0.73 0.00 0.00 179.01 180.22 2gfg h ILE 167 N 0.85 1.17 -0.26 2.32 2.04 -0.20 0.14 117.51 123.58 2gfg h ILE 167 Ca 0.21 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2gfg h ILE 167 Cb 0.13 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2gfg h ILE 167 CO -0.03 0.17 -0.17 -0.07 0.00 0.00 0.00 178.15 178.05 2gfg h LEU 168 N 0.84 0.45 0.00 1.44 3.38 -0.86 -2.31 115.31 118.25 2gfg h LEU 168 Ca 0.22 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2gfg h LEU 168 Cb -0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2gfg h LEU 168 CO -0.05 0.64 -0.18 0.50 0.09 0.00 0.00 178.44 179.44 2gfg h LYS 169 N 0.42 0.12 -0.57 1.13 3.64 -1.12 0.20 116.57 120.38 2gfg h LYS 169 Ca 0.07 -0.13 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2gfg h LYS 169 Cb 0.54 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 2gfg h LYS 169 CO 0.04 0.90 -0.11 1.15 -2.27 0.00 0.00 179.45 179.16 2gfg h THR 170 N -0.61 0.45 -0.51 1.00 2.02 -0.67 -2.61 112.91 111.97 2gfg h THR 170 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2gfg h THR 170 Cb 0.97 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2gfg h THR 170 CO 0.04 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.42 2gfg n PHE 171 N -5.37 0.67 -3.78 3.16 3.72 -0.87 -4.98 117.46 110.00 2gfg n PHE 171 Ca 0.07 -0.33 -0.35 0.00 -0.05 0.00 0.00 57.45 56.78 2gfg n PHE 171 Cb 0.31 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.88 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 1.37 -5.06 -4.40 4.37 7.64 -0.84 -5.00 113.62 111.70 2gfg n SER 172 Ca 0.21 -1.08 -0.33 0.00 1.01 0.00 0.00 58.87 58.68 2gfg n SER 172 Cb 0.56 -2.91 -0.14 0.00 -1.01 0.00 0.00 64.21 60.71 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 -3.46 3.01 -0.22 0.44 1.01 0.63 -5.03 121.20 117.56 2gfg s ILE 173 Ca 0.47 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 2gfg s ILE 173 Cb -0.19 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2gfg s ILE 173 CO 0.89 0.55 0.32 -0.44 0.00 0.00 0.00 174.94 176.26 2gfg s SER 174 N -0.01 6.31 0.40 3.58 0.01 -1.26 -4.61 113.70 118.12 2gfg s SER 174 Ca -0.04 0.36 -0.26 0.00 1.31 0.00 0.00 55.95 57.32 2gfg s SER 174 Cb -0.14 -2.19 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 2gfg s SER 174 CO 0.04 -0.05 1.30 1.67 0.41 0.00 0.00 173.24 176.61 2gfg n GLN 175 N 4.53 2.03 -4.21 12.44 -0.06 -1.26 -4.97 117.38 125.88 2gfg n GLN 175 Ca -0.10 0.72 -0.15 0.00 -2.00 0.00 0.00 57.00 55.47 2gfg n GLN 175 Cb 0.51 -2.40 -0.11 0.00 -4.06 0.00 0.00 30.24 24.19 2gfg n GLN 175 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2gfg s VAL 176 N -1.17 1.09 -0.02 1.69 -7.23 -1.26 -5.08 120.40 108.40 2gfg s VAL 176 Ca 0.59 -1.78 -0.34 0.00 -1.81 0.00 0.00 61.98 58.65 2gfg s VAL 176 Cb -0.52 -1.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.77 2gfg s VAL 176 CO 0.59 -0.58 1.82 -2.65 -0.31 0.00 0.00 175.10 173.97 2gfg n PRO 177 N 0.33 2.22 -3.76 4.82 -0.02 -1.26 -4.55 135.00 132.78 2gfg n PRO 177 Ca -0.14 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 2gfg n PRO 177 Cb 0.58 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.37 0.86 0.94 3.45 2.01 -1.26 -4.84 115.64 120.16 2gfg s THR 178 Ca 0.89 -1.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 2gfg s THR 178 Cb -0.67 -1.52 0.15 0.00 0.01 0.00 0.00 72.50 70.47 2gfg s THR 178 CO 0.48 -0.49 1.16 -1.83 -0.69 0.00 0.00 174.62 173.24 2gfg s GLU 179 N 1.65 0.93 0.81 4.92 -1.05 -1.26 -5.00 118.70 119.71 2gfg s GLU 179 Ca 0.05 0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.93 2gfg s GLU 179 Cb -0.17 -1.82 0.08 0.00 -0.44 0.00 0.00 34.13 31.77 2gfg s GLU 179 CO -0.19 -2.32 1.09 -0.80 0.95 0.00 0.00 175.26 173.99 2gfg s ASN 180 N -4.14 4.29 0.34 0.83 -0.87 -1.26 -4.81 114.94 109.32 2gfg s ASN 180 Ca 0.65 1.47 0.02 0.00 -1.57 0.00 0.00 52.86 53.44 2gfg s ASN 180 Cb -0.13 -2.20 0.63 0.00 -0.02 0.00 0.00 41.25 39.53 2gfg s ASN 180 CO 0.53 -2.12 1.99 0.11 -2.57 0.00 0.00 177.10 175.04 2gfg h LYS 181 N -1.19 0.86 -0.36 -0.60 1.57 -1.99 -0.65 116.57 114.20 2gfg h LYS 181 Ca -0.47 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2gfg h LYS 181 Cb 1.26 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2gfg h LYS 181 CO 0.56 0.57 0.23 0.82 -0.57 0.00 0.00 179.45 181.06 2gfg h ILE 182 N 0.88 1.11 -0.24 1.86 2.04 -1.99 -2.53 117.51 118.64 2gfg h ILE 182 Ca 0.27 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2gfg h ILE 182 Cb -0.01 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2gfg h ILE 182 CO -0.07 0.11 0.04 1.56 0.00 0.00 0.00 178.15 179.80 2gfg h GLN 183 N 0.48 0.40 -0.53 2.37 4.20 -1.73 -1.65 115.11 118.64 2gfg h GLN 183 Ca 0.13 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2gfg h GLN 183 Cb -0.01 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2gfg h GLN 183 CO -0.03 0.53 0.35 0.00 -0.67 0.00 0.00 178.83 179.01 2gfg h ARG 184 N 0.21 0.71 0.00 1.46 3.08 -1.07 -3.25 114.38 115.52 2gfg h ARG 184 Ca 0.07 -0.05 -0.36 0.00 0.07 0.00 0.00 59.98 59.71 2gfg h ARG 184 Cb 0.32 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 2gfg h ARG 184 CO 0.00 0.48 -2.36 1.19 -1.07 0.00 0.00 179.97 178.21 2gfg n PHE 185 N -4.70 0.00 -0.02 3.04 3.72 -0.96 -4.80 117.46 113.73 2gfg n PHE 185 Ca 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.40 2gfg n PHE 185 Cb 0.03 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.56 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 -2.80 0.00 -2.14 1.38 3.72 -0.65 -4.89 117.46 112.08 2gfg n PHE 186 Ca -0.34 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.74 2gfg n PHE 186 Cb 1.12 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 39.41 2gfg n PHE 186 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2gfg s SER 187 N -3.84 5.39 0.00 4.37 0.01 -1.03 -5.04 113.70 113.57 2gfg s SER 187 Ca -0.04 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2gfg s SER 187 Cb 0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2gfg s SER 187 CO 0.16 -2.46 0.20 0.29 0.41 0.00 0.00 173.24 171.84