#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fng s LYS 7 N 0.00 3.57 -0.17 1.64 2.20 -1.26 -5.05 119.74 120.66 1fng s LYS 7 Ca 0.00 0.13 -0.26 0.00 -0.36 0.00 0.00 55.97 55.48 1fng s LYS 7 Cb 0.00 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 1fng s LYS 7 CO 0.00 -0.10 0.87 0.08 -0.36 0.00 0.00 175.35 175.85 1fng s VAL 8 N -2.58 4.85 0.06 4.02 1.01 -1.26 -5.03 120.40 121.47 1fng s VAL 8 Ca 0.46 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 1fng s VAL 8 Cb -0.10 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1fng s VAL 8 CO 0.41 -0.00 1.11 -0.63 0.00 0.00 0.00 175.10 175.98 1fng s ILE 1 N 2.29 4.27 -0.12 2.22 1.01 -1.26 -4.96 121.20 124.65 1fng s ILE 1 Ca 0.40 1.69 -0.07 0.00 0.00 0.00 0.00 60.65 62.67 1fng s ILE 1 Cb -0.17 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1fng s ILE 1 CO 0.12 0.16 0.13 0.42 0.00 0.00 0.00 174.94 175.78 1fng s THR 2 N 0.80 5.46 0.39 2.92 -4.23 -1.26 -5.10 115.64 114.61 1fng s THR 2 Ca 0.55 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1fng s THR 2 Cb -0.27 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1fng s THR 2 CO 0.30 0.62 0.63 0.00 -0.54 0.00 0.00 174.62 175.63 1fng s ALA 3 N -0.99 3.58 0.33 3.99 0.00 -1.26 -4.90 121.76 122.50 1fng s ALA 3 Ca 0.15 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1fng s ALA 3 Cb -0.12 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 1fng s ALA 3 CO 0.04 -0.11 0.93 -0.06 0.00 0.00 0.00 175.76 176.56 1fng s PHE 4 N -2.44 3.65 0.06 0.00 0.08 -1.26 -4.96 117.98 113.12 1fng s PHE 4 Ca 0.43 1.74 -0.31 0.00 0.12 0.00 0.00 56.93 58.92 1fng s PHE 4 Cb -0.10 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.40 1fng s PHE 4 CO 0.38 0.19 1.23 1.21 -0.10 0.00 0.00 175.22 178.13 1fng s ASN 5 N -1.67 7.04 -0.37 1.36 2.47 -1.26 -5.01 114.94 117.50 1fng s ASN 5 Ca 0.51 2.05 -0.13 0.00 0.42 0.00 0.00 52.86 55.71 1fng s ASN 5 Cb -0.18 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1fng s ASN 5 CO 0.23 -0.50 0.26 -0.70 -3.72 0.00 0.00 177.10 172.66 1fng s GLU 6 N 1.13 3.23 0.48 0.43 2.56 -1.26 -5.08 118.70 120.19 1fng s GLU 6 Ca 0.59 -0.83 -0.21 0.00 0.00 0.00 0.00 54.97 54.53 1fng s GLU 6 Cb -0.30 -3.85 -0.08 0.00 2.00 0.00 0.00 34.13 31.89 1fng s GLU 6 CO 0.29 -0.58 1.06 0.20 -0.56 0.00 0.00 175.26 175.66 1fng s GLY 7 N 1.68 2.56 -0.12 -1.50 0.00 -1.26 -5.03 107.32 103.65 1fng s GLY 7 Ca 0.05 0.66 -0.17 0.00 0.00 0.00 0.00 44.72 45.26 1fng s GLY 7 CO 0.10 1.00 0.42 -2.27 0.00 0.00 0.00 173.10 172.35 1fng s LEU 8 N -3.43 4.28 0.52 0.66 2.96 -1.26 -5.07 118.68 117.33 1fng s LEU 8 Ca 0.67 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 55.26 1fng s LEU 8 Cb -0.18 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1fng s LEU 8 CO 0.22 0.05 0.83 -0.54 -1.32 0.00 0.00 176.35 175.59 1fng s LYS 9 N 0.49 3.33 0.20 1.98 1.02 -1.26 -5.01 119.74 120.48 1fng s LYS 9 Ca 0.23 0.13 0.11 0.00 0.02 0.00 0.00 55.97 56.46 1fng s LYS 9 Cb -0.15 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1fng s LYS 9 CO 0.09 -0.38 -0.19 0.20 -0.92 0.00 0.00 175.35 174.15 1fng s GLY 1 N -4.18 1.73 0.00 -3.33 0.00 -1.26 -5.14 107.32 95.14 1fng s GLY 1 Ca 0.50 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1fng s GLY 1 CO 0.45 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1fng n GLY 2 N 0.08 3.73 1.40 0.20 0.00 -1.26 -4.87 105.19 104.46 1fng n GLY 2 Ca -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1fng n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fng n GLY 3 N 5.00 1.61 3.31 -0.02 0.00 -1.26 -5.03 105.19 108.81 1fng n GLY 3 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1fng n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fng s GLY 4 N -2.02 1.33 -0.00 -0.02 0.00 -1.26 -5.16 107.32 100.20 1fng s GLY 4 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.16 1fng s GLY 4 CO 0.00 -1.55 0.14 -0.45 0.00 0.00 0.00 173.10 171.24 1fng s SER 5 N -2.78 0.02 -0.02 1.64 0.15 -1.26 -5.16 113.70 106.28 1fng s SER 5 Ca 0.16 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1fng s SER 5 Cb -0.04 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1fng s SER 5 CO 0.06 -0.36 0.08 -0.76 1.20 0.00 0.00 173.24 173.46 1fng s LEU 6 N -1.32 3.90 -0.85 3.45 1.43 -1.26 -5.05 118.68 118.98 1fng s LEU 6 Ca -0.14 0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 52.88 1fng s LEU 6 Cb -0.07 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.98 1fng s LEU 6 CO 0.02 0.30 1.37 -0.69 0.23 0.00 0.00 176.35 177.57 1fng s VAL 7 N -1.15 3.79 0.57 -1.59 1.01 -1.26 -4.85 120.40 116.93 1fng s VAL 7 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1fng s VAL 7 Cb -0.12 -4.95 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1fng s VAL 7 CO 0.12 -1.87 0.00 0.61 0.00 0.00 0.00 175.10 173.96 1fng n GLY 8 N 6.01 -3.80 2.75 4.51 0.00 -1.26 -5.08 105.19 108.32 1fng n GLY 8 Ca 0.16 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1fng n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fng n GLY 9 N -3.09 1.80 3.53 -0.02 0.00 -1.26 -5.06 105.19 101.10 1fng n GLY 9 Ca -0.03 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1fng n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fng n GLY 10 N -0.43 0.26 3.70 -0.02 0.00 -1.26 -4.91 105.19 102.53 1fng n GLY 10 Ca -0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1fng n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fng s SER 11 N 7.55 2.98 -0.44 1.61 0.15 -1.26 -5.04 113.70 119.26 1fng s SER 11 Ca 0.75 1.29 0.02 0.00 0.70 0.00 0.00 55.95 58.71 1fng s SER 11 Cb 0.01 -1.96 0.15 0.00 -1.71 0.00 0.00 66.02 62.51 1fng s SER 11 CO 0.20 -2.92 0.27 -0.83 1.20 0.00 0.00 173.24 171.16 1fng s GLY 12 N -3.47 1.49 0.00 9.45 0.00 -1.26 -5.10 107.32 108.43 1fng s GLY 12 Ca 0.64 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1fng s GLY 12 CO 0.57 1.74 0.00 0.61 0.00 0.00 0.00 173.10 176.02 1fng n GLY 13 N 3.42 -1.49 2.45 0.20 0.00 -1.26 -4.72 105.19 103.78 1fng n GLY 13 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1fng n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fng n GLY 14 N 2.00 2.52 1.57 -0.02 0.00 -1.26 -3.52 105.19 106.47 1fng n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fng n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fng n GLY 15 N -2.00 0.54 3.75 -0.02 0.00 -1.26 -5.05 105.19 101.15 1fng n GLY 15 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1fng n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fng s SER 16 N -2.58 4.06 0.13 1.61 0.01 -1.23 -4.96 113.70 110.74 1fng s SER 16 Ca 0.00 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.59 1fng s SER 16 Cb 0.00 -2.34 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 1fng s SER 16 CO 0.00 -2.29 1.47 -0.60 0.41 0.00 0.00 173.24 172.23 1fng s ARG 4 N -4.93 4.27 0.39 12.44 3.52 -1.26 -4.95 118.95 128.43 1fng s ARG 4 Ca 0.62 2.20 -0.26 0.00 -0.13 0.00 0.00 55.73 58.15 1fng s ARG 4 Cb -0.17 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1fng s ARG 4 CO 0.56 -0.52 1.26 -2.14 -0.81 0.00 0.00 175.30 173.65 1fng s PRO 5 N 1.23 4.07 0.05 5.12 0.02 -1.26 -5.03 135.00 139.21 1fng s PRO 5 Ca 0.67 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 1fng s PRO 5 Cb -0.39 -2.80 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1fng s PRO 5 CO 0.31 -0.37 0.09 1.67 -0.33 0.00 0.00 177.00 178.36 1fng s TRP 6 N -1.28 0.26 -0.05 6.54 1.48 -1.26 -5.15 118.94 119.47 1fng s TRP 6 Ca 0.55 -0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 54.93 1fng s TRP 6 Cb -0.36 -0.17 0.03 0.00 -1.16 0.00 0.00 33.47 31.81 1fng s TRP 6 CO 0.46 -0.41 0.09 -0.06 -4.06 0.00 0.00 176.95 172.97 1fng s PHE 7 N -3.15 -0.01 -0.06 1.66 0.08 -1.26 -4.99 117.98 110.25 1fng s PHE 7 Ca -0.00 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.41 1fng s PHE 7 Cb 0.02 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.11 1fng s PHE 7 CO -0.07 -0.20 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.58 1fng s LEU 8 N 2.02 1.54 -0.27 -0.37 2.96 -1.26 -4.98 118.68 118.32 1fng s LEU 8 Ca 0.02 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1fng s LEU 8 Cb -0.12 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.83 1fng s LEU 8 CO -0.04 0.00 0.03 -0.70 -1.32 0.00 0.00 176.35 174.33 1fng s GLU 9 N 0.80 3.14 -0.04 1.98 2.56 -1.26 -0.98 118.70 124.89 1fng s GLU 9 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.04 1fng s GLU 9 Cb -0.15 -3.23 0.03 0.00 2.00 0.00 0.00 34.13 32.77 1fng s GLU 9 CO 0.02 -0.37 -0.00 -0.47 -0.56 0.00 0.00 175.26 173.88 1fng s TYR 10 N 1.47 0.42 -0.06 5.30 5.04 -0.70 -5.02 117.35 123.80 1fng s TYR 10 Ca 0.03 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.65 1fng s TYR 10 Cb -0.16 -0.52 0.01 0.00 0.35 0.00 0.00 41.96 41.63 1fng s TYR 10 CO 0.00 -0.18 -0.15 0.00 -1.34 0.00 0.00 175.55 173.89 1fng s LYS 12 N 0.38 3.14 -0.30 0.00 1.02 -0.08 -4.98 119.74 118.92 1fng s LYS 12 Ca -0.11 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.06 1fng s LYS 12 Cb -0.14 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1fng s LYS 12 CO 0.04 -0.18 0.08 -1.12 -0.92 0.00 0.00 175.35 173.25 1fng s SER 13 N 1.30 5.16 -0.10 2.83 0.01 -1.26 -0.08 113.70 121.55 1fng s SER 13 Ca 0.04 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1fng s SER 13 Cb -0.14 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1fng s SER 13 CO -0.08 -0.22 -0.13 -1.61 0.41 0.00 0.00 173.24 171.61 1fng s GLU 14 N 1.48 3.12 -0.24 12.44 2.02 0.13 -4.97 118.70 132.67 1fng s GLU 14 Ca 0.02 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 1fng s GLU 14 Cb -0.18 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1fng s GLU 14 CO 0.02 0.36 0.08 0.00 0.02 0.00 0.00 175.26 175.74 1fng s HIS 16 N 1.40 3.23 -0.47 0.00 3.76 0.18 -4.97 115.29 118.42 1fng s HIS 16 Ca 0.05 -1.27 -0.17 0.00 -0.15 0.00 0.00 55.06 53.53 1fng s HIS 16 Cb -0.15 -2.30 0.06 0.00 1.11 0.00 0.00 32.58 31.30 1fng s HIS 16 CO 0.04 -0.69 0.46 -0.06 -0.85 0.00 0.00 174.74 173.64 1fng s PHE 17 N 1.45 3.18 -0.24 1.40 0.40 -1.26 -1.03 117.98 121.86 1fng s PHE 17 Ca -0.00 -0.70 0.27 0.00 -0.60 0.00 0.00 56.93 55.89 1fng s PHE 17 Cb -0.19 -3.18 0.71 0.00 0.51 0.00 0.00 43.02 40.87 1fng s PHE 17 CO 0.03 -0.83 1.74 1.88 0.70 0.00 0.00 175.22 178.75 1fng h TYR 18 N 8.81 0.00 -0.33 0.36 0.05 -1.61 -3.39 116.97 120.85 1fng h TYR 18 Ca -0.28 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.46 1fng h TYR 18 Cb 1.11 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.70 1fng h TYR 18 CO 0.66 0.00 -0.21 -1.71 -1.05 0.00 0.00 178.16 175.85 1fng n ASN 19 N -3.10 -1.95 0.00 3.88 5.15 -1.24 -4.97 115.26 113.03 1fng n ASN 19 Ca 0.03 -1.58 0.00 0.00 -0.60 0.00 0.00 54.58 52.43 1fng n ASN 19 Cb 0.45 1.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.71 1fng n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fng n GLY 20 N 2.50 1.22 0.00 8.20 0.00 -1.26 -1.78 105.19 114.06 1fng n GLY 20 Ca 0.12 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1fng n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fng n THR 21 N 0.00 0.00 -0.09 2.61 -2.24 -1.26 -3.78 114.28 109.51 1fng n THR 21 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1fng n THR 21 Cb 0.00 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1fng n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1fng h GLN 22 N 0.00 0.54 -3.60 -0.78 1.08 -1.79 -3.42 115.11 107.15 1fng h GLN 22 Ca 0.00 -0.21 -0.44 0.00 -1.45 0.00 0.00 58.65 56.55 1fng h GLN 22 Cb 0.00 -0.03 -0.39 0.00 -0.05 0.00 0.00 27.48 27.02 1fng h GLN 22 CO 0.00 0.75 -0.76 0.50 -0.95 0.00 0.00 178.83 178.37 1fng s ARG 23 N -4.74 0.51 -0.00 1.46 3.52 -1.25 -5.02 118.95 113.42 1fng s ARG 23 Ca -0.13 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1fng s ARG 23 Cb 0.08 -1.14 -0.01 0.00 -1.56 0.00 0.00 34.95 32.32 1fng s ARG 23 CO 0.77 -0.38 -0.11 0.08 -0.81 0.00 0.00 175.30 174.86 1fng s VAL 24 N 1.99 0.83 -0.05 7.11 1.01 -1.26 -1.33 120.40 128.69 1fng s VAL 24 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1fng s VAL 24 Cb -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1fng s VAL 24 CO -0.06 0.19 -0.15 -0.60 0.00 0.00 0.00 175.10 174.48 1fng s ARG 25 N -0.37 1.78 -0.16 2.72 3.52 -0.20 -4.97 118.95 121.27 1fng s ARG 25 Ca 0.03 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1fng s ARG 25 Cb -0.05 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1fng s ARG 25 CO -0.00 0.16 0.01 -1.17 -0.81 0.00 0.00 175.30 173.49 1fng s LEU 26 N 0.26 3.55 -0.11 -0.88 2.96 -1.26 0.49 118.68 123.69 1fng s LEU 26 Ca -0.08 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1fng s LEU 26 Cb -0.13 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.73 1fng s LEU 26 CO 0.03 0.19 0.03 -0.22 -1.32 0.00 0.00 176.35 175.06 1fng s LEU 27 N 0.25 0.65 -0.14 -0.68 2.96 0.64 -0.92 118.68 121.44 1fng s LEU 27 Ca 0.01 -0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1fng s LEU 27 Cb -0.13 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1fng s LEU 27 CO 0.02 -0.24 0.02 -0.69 -1.32 0.00 0.00 176.35 174.13 1fng s VAL 28 N 1.99 4.40 -0.09 1.68 1.01 0.22 0.18 120.40 129.79 1fng s VAL 28 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1fng s VAL 28 Cb -0.14 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1fng s VAL 28 CO -0.06 0.52 -0.13 -0.13 0.00 0.00 0.00 175.10 175.30 1fng s ARG 29 N -0.08 1.88 -0.13 2.72 0.52 0.88 -1.02 118.95 123.73 1fng s ARG 29 Ca 0.04 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1fng s ARG 29 Cb -0.13 -1.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 1fng s ARG 29 CO 0.02 -0.04 -0.01 0.71 0.02 0.00 0.00 175.30 176.00 1fng s TYR 30 N 0.91 3.12 -0.02 -0.53 1.51 -0.24 -0.90 117.35 121.19 1fng s TYR 30 Ca -0.09 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.02 1fng s TYR 30 Cb -0.15 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1fng s TYR 30 CO 0.01 0.23 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.43 1fng s PHE 31 N -0.24 1.73 -0.22 2.71 0.40 0.75 -0.79 117.98 122.33 1fng s PHE 31 Ca 0.05 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1fng s PHE 31 Cb -0.12 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.32 1fng s PHE 31 CO 0.02 -0.05 -0.15 -0.47 0.70 0.00 0.00 175.22 175.28 1fng s TYR 32 N -0.40 3.01 0.00 0.36 5.04 -0.11 -1.72 117.35 123.54 1fng s TYR 32 Ca 0.06 -1.92 0.00 0.00 -2.44 0.00 0.00 57.07 52.77 1fng s TYR 32 Cb -0.08 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.29 1fng s TYR 32 CO -0.00 -0.83 0.00 0.09 -1.34 0.00 0.00 175.55 173.47 1fng n ASN 33 N 4.55 0.00 -0.89 4.32 4.13 -0.15 -1.17 115.26 126.05 1fng n ASN 33 Ca -0.18 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.21 1fng n ASN 33 Cb 0.46 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.92 1fng n ASN 33 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fng n LEU 34 N 0.00 2.74 -4.40 3.41 4.77 -1.26 -4.93 117.00 117.33 1fng n LEU 34 Ca 0.00 -0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 54.65 1fng n LEU 34 Cb 0.00 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1fng n LEU 34 CO 0.00 0.49 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.58 1fng s GLU 35 N -1.89 3.53 -0.05 3.23 2.02 -0.31 -5.07 118.70 120.15 1fng s GLU 35 Ca 0.32 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1fng s GLU 35 Cb 0.21 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 1fng s GLU 35 CO 0.31 -0.02 1.21 -2.00 0.02 0.00 0.00 175.26 174.78 1fng s GLU 36 N 1.05 4.35 0.00 1.61 2.12 -1.26 -0.94 118.70 125.63 1fng s GLU 36 Ca 0.01 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1fng s GLU 36 Cb -0.15 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1fng s GLU 36 CO 0.01 -0.45 0.00 0.27 -0.54 0.00 0.00 175.26 174.55 1fng n ASN 37 N 5.17 0.74 -3.61 -1.70 0.23 0.03 -4.32 115.26 111.80 1fng n ASN 37 Ca 0.11 -0.37 -0.14 0.00 -0.53 0.00 0.00 54.58 53.64 1fng n ASN 37 Cb 0.46 0.89 -0.06 0.00 -2.08 0.00 0.00 39.78 38.99 1fng n ASN 37 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1fng s LEU 38 N -1.94 0.06 0.10 -4.53 2.96 -1.23 -0.28 118.68 113.83 1fng s LEU 38 Ca 0.00 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 1fng s LEU 38 Cb 0.00 1.99 0.02 0.00 0.50 0.00 0.00 46.19 48.69 1fng s LEU 38 CO 0.00 -0.64 0.29 0.00 -1.32 0.00 0.00 176.35 174.68 1fng s ARG 39 N -2.00 0.94 -0.21 1.98 1.70 -0.82 -1.08 118.95 119.45 1fng s ARG 39 Ca -0.08 -0.84 -0.02 0.00 -0.47 0.00 0.00 55.73 54.33 1fng s ARG 39 Cb -0.01 0.40 0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1fng s ARG 39 CO 0.02 -0.33 0.01 0.12 -1.08 0.00 0.00 175.30 174.03 1fng s PHE 40 N -3.81 1.53 -0.24 5.89 2.19 -0.19 -1.08 117.98 122.27 1fng s PHE 40 Ca 0.04 -1.21 -0.07 0.00 0.33 0.00 0.00 56.93 56.02 1fng s PHE 40 Cb 0.03 -1.25 -0.03 0.00 -1.31 0.00 0.00 43.02 40.47 1fng s PHE 40 CO -0.11 -0.68 0.06 0.34 1.83 0.00 0.00 175.22 176.66 1fng s ASP 41 N 1.69 5.10 0.66 6.13 -1.08 -1.26 -0.61 116.67 127.30 1fng s ASP 41 Ca -0.02 -0.20 0.44 0.00 -0.52 0.00 0.00 52.55 52.25 1fng s ASP 41 Cb -0.18 -1.91 2.37 0.00 -1.46 0.00 0.00 42.92 41.75 1fng s ASP 41 CO -0.08 -0.01 2.35 0.77 0.52 0.00 0.00 175.17 178.72 1fng h SER 42 N 8.07 0.00 1.15 -0.34 4.64 -1.40 0.22 113.55 125.89 1fng h SER 42 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1fng h SER 42 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1fng h SER 42 CO 0.59 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.99 1fng h ASP 43 N 0.00 0.00 0.04 4.97 3.32 -1.94 -3.12 116.42 119.69 1fng h ASP 43 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1fng h ASP 43 Cb 0.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1fng h ASP 43 CO 0.00 0.00 -2.06 0.52 -1.72 0.00 0.00 179.24 175.98 1fng n VAL 44 N -2.85 1.60 -0.26 -1.35 0.31 0.64 -5.01 118.33 111.40 1fng n VAL 44 Ca 0.02 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1fng n VAL 44 Cb 0.33 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1fng n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fng n GLY 45 N 1.77 1.06 3.16 2.92 0.00 -0.45 -5.03 105.19 108.62 1fng n GLY 45 Ca -0.40 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1fng n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fng s GLU 46 N -0.52 0.99 0.41 1.61 2.02 -1.26 -4.89 118.70 117.06 1fng s GLU 46 Ca 0.00 -1.48 -0.22 0.00 0.02 0.00 0.00 54.97 53.29 1fng s GLU 46 Cb 0.00 0.25 -0.10 0.00 0.10 0.00 0.00 34.13 34.38 1fng s GLU 46 CO 0.00 -0.29 0.97 -0.06 0.02 0.00 0.00 175.26 175.90 1fng s PHE 47 N -4.07 3.34 -0.02 1.61 0.40 -1.26 -4.21 117.98 113.77 1fng s PHE 47 Ca 0.27 1.65 -0.00 0.00 -0.60 0.00 0.00 56.93 58.25 1fng s PHE 47 Cb 0.07 -2.93 0.03 0.00 0.51 0.00 0.00 43.02 40.70 1fng s PHE 47 CO 0.04 -0.21 0.03 1.03 0.70 0.00 0.00 175.22 176.80 1fng s ARG 48 N -2.85 0.04 0.25 0.44 1.81 -0.24 -4.89 118.95 113.50 1fng s ARG 48 Ca 0.60 0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 54.49 1fng s ARG 48 Cb -0.14 -0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 33.93 1fng s ARG 48 CO 0.18 -0.18 1.38 0.00 -0.68 0.00 0.00 175.30 176.01 1fng s ALA 49 N 1.19 3.58 -0.16 2.13 0.00 -1.26 -1.95 121.76 125.29 1fng s ALA 49 Ca -0.08 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1fng s ALA 49 Cb -0.13 -3.52 -0.23 0.00 0.00 0.00 0.00 23.12 19.24 1fng s ALA 49 CO -0.03 -0.67 0.20 0.28 0.00 0.00 0.00 175.76 175.54 1fng n VAL 50 N 2.20 1.63 -4.25 0.00 0.31 0.62 -4.92 118.33 113.92 1fng n VAL 50 Ca 0.06 -0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 63.58 1fng n VAL 50 Cb 0.41 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 31.83 1fng n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1fng s THR 51 N -2.55 0.41 0.52 2.52 -4.23 -1.04 -4.95 115.64 106.32 1fng s THR 51 Ca -0.22 -1.98 0.19 0.00 -1.18 0.00 0.00 61.69 58.50 1fng s THR 51 Cb 0.07 -2.41 0.32 0.00 1.34 0.00 0.00 72.50 71.83 1fng s THR 51 CO 0.73 -0.18 2.09 -0.33 -0.54 0.00 0.00 174.62 176.40 1fng h GLU 52 N 2.57 0.01 0.00 3.99 4.39 -1.94 -1.44 114.58 122.16 1fng h GLU 52 Ca -0.37 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1fng h GLU 52 Cb 1.23 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1fng h GLU 52 CO 0.59 0.01 -0.07 1.25 -1.16 0.00 0.00 179.01 179.63 1fng h LEU 53 N 0.01 0.00 -0.10 1.33 5.85 -1.96 -2.49 115.31 117.94 1fng h LEU 53 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1fng h LEU 53 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1fng h LEU 53 CO -0.00 0.07 -0.78 0.61 -0.34 0.00 0.00 178.44 178.00 1fng n GLY 54 N -0.89 -0.97 0.30 3.75 0.00 -0.55 -4.52 105.19 102.31 1fng n GLY 54 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.50 1fng n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fng h ARG 55 N 0.25 0.77 -0.65 1.61 2.43 -1.44 -2.00 114.38 115.34 1fng h ARG 55 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1fng h ARG 55 Cb 0.52 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1fng h ARG 55 CO 0.00 0.51 0.42 -1.35 -1.51 0.00 0.00 179.97 178.04 1fng h PRO 56 N 0.79 0.87 -0.40 0.20 0.11 -1.79 -1.34 132.00 130.43 1fng h PRO 56 Ca 0.39 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.31 1fng h PRO 56 Cb 0.33 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1fng h PRO 56 CO -0.24 0.58 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.43 1fng h ASP 57 N 0.89 0.88 -0.07 -2.05 3.32 -1.68 0.40 116.42 118.11 1fng h ASP 57 Ca 0.24 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1fng h ASP 57 Cb -0.09 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 1fng h ASP 57 CO -0.05 1.10 0.03 0.00 -1.72 0.00 0.00 179.24 178.59 1fng h ALA 58 N 0.96 0.09 -0.80 3.45 0.00 -1.04 0.21 119.26 122.14 1fng h ALA 58 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fng h ALA 58 Cb 0.82 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1fng h ALA 58 CO 0.07 -0.32 0.36 0.93 0.00 0.00 0.00 179.25 180.28 1fng h GLU 59 N -0.04 1.16 0.54 0.00 5.08 -1.14 0.83 114.58 121.00 1fng h GLU 59 Ca 0.02 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1fng h GLU 59 Cb 0.16 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1fng h GLU 59 CO -0.00 0.91 -0.26 -0.97 -1.00 0.00 0.00 179.01 177.69 1fng h ASN 60 N 1.14 -0.61 -0.05 1.42 -1.24 -0.73 -3.17 115.58 112.35 1fng h ASN 60 Ca 0.27 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.18 1fng h ASN 60 Cb 0.15 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1fng h ASN 60 CO -0.03 -0.22 -0.12 -0.50 -1.29 0.00 0.00 177.43 175.27 1fng h TRP 61 N -1.09 0.36 0.00 0.67 6.55 -0.95 -1.97 115.95 119.53 1fng h TRP 61 Ca -0.07 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.72 1fng h TRP 61 Cb 0.61 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1fng h TRP 61 CO 0.01 0.47 0.00 0.09 -1.05 0.00 0.00 178.44 177.96 1fng n ASN 62 N -4.24 0.00 -0.91 -3.49 3.02 0.28 -1.55 115.26 108.37 1fng n ASN 62 Ca -0.00 0.46 0.11 0.00 -0.03 0.00 0.00 54.58 55.12 1fng n ASN 62 Cb 0.29 -0.48 0.27 0.00 -0.61 0.00 0.00 39.78 39.25 1fng n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fng n SER 63 N -1.48 2.72 -4.08 6.41 3.41 -0.74 -4.62 113.62 115.23 1fng n SER 63 Ca 0.04 -1.89 -0.35 0.00 -0.26 0.00 0.00 58.87 56.40 1fng n SER 63 Cb 0.15 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1fng n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fng s GLN 64 N -1.58 2.94 0.27 4.33 -0.21 -0.59 -4.97 119.66 119.83 1fng s GLN 64 Ca 0.36 -3.01 -0.00 0.00 0.02 0.00 0.00 55.36 52.72 1fng s GLN 64 Cb 0.20 -3.82 0.58 0.00 1.00 0.00 0.00 33.01 30.97 1fng s GLN 64 CO 0.29 -1.23 1.74 -1.00 -2.12 0.00 0.00 175.29 172.96 1fng h PRO 65 N 6.32 0.53 -0.15 2.91 0.13 -1.82 -0.64 132.00 139.29 1fng h PRO 65 Ca 0.09 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1fng h PRO 65 Cb 0.86 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1fng h PRO 65 CO 0.79 0.35 -0.45 0.93 -0.23 0.00 0.00 178.00 179.39 1fng h GLU 66 N 0.55 0.36 -0.24 0.86 5.08 -1.96 -1.05 114.58 118.18 1fng h GLU 66 Ca 0.48 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1fng h GLU 66 Cb 0.76 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1fng h GLU 66 CO -0.41 0.74 -0.13 0.35 -1.00 0.00 0.00 179.01 178.56 1fng h PHE 67 N 0.29 0.59 -0.78 4.33 3.57 -1.66 -1.54 116.94 121.74 1fng h PHE 67 Ca 0.02 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.40 1fng h PHE 67 Cb 0.91 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 1fng h PHE 67 CO 0.02 0.79 0.50 -0.07 -2.23 0.00 0.00 178.31 177.32 1fng h LEU 68 N 0.22 0.83 -0.68 0.59 3.38 -0.98 -0.29 115.31 118.39 1fng h LEU 68 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1fng h LEU 68 Cb 0.64 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1fng h LEU 68 CO 0.04 0.58 0.44 -0.33 0.09 0.00 0.00 178.44 179.26 1fng h GLU 69 N 0.98 0.86 -0.04 1.13 4.39 -1.03 -0.08 114.58 120.80 1fng h GLU 69 Ca 0.31 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1fng h GLU 69 Cb -0.01 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1fng h GLU 69 CO -0.10 0.57 0.02 0.37 -1.16 0.00 0.00 179.01 178.71 1fng h GLN 70 N 0.89 0.05 -0.43 2.33 4.15 -0.35 -1.81 115.11 119.93 1fng h GLN 70 Ca 0.26 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1fng h GLN 70 Cb -0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1fng h GLN 70 CO -0.07 0.08 0.29 0.87 -1.93 0.00 0.00 178.83 178.07 1fng h LYS 71 N 0.00 0.57 -0.71 1.69 1.79 -0.69 -1.91 116.57 117.32 1fng h LYS 71 Ca 0.01 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1fng h LYS 71 Cb 0.05 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 1fng h LYS 71 CO -0.00 0.38 0.47 0.00 -1.08 0.00 0.00 179.45 179.22 1fng h ARG 72 N 0.59 0.82 0.00 3.15 3.08 -0.89 -1.45 114.38 119.67 1fng h ARG 72 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1fng h ARG 72 Cb -0.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1fng h ARG 72 CO -0.03 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 1fng h ALA 73 N 1.59 1.00 0.00 0.04 0.00 -0.55 -3.10 119.26 118.24 1fng h ALA 73 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1fng h ALA 73 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fng h ALA 73 CO -0.08 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1fng n GLU 74 N -2.54 0.13 0.24 0.00 1.02 -0.55 -0.49 120.64 118.45 1fng n GLU 74 Ca 0.02 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.71 1fng n GLU 74 Cb 0.28 -1.81 0.55 0.00 -0.02 0.00 0.00 31.44 30.44 1fng n GLU 74 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1fng h VAL 75 N 0.00 1.07 0.00 2.62 3.04 -1.71 0.10 116.25 121.36 1fng h VAL 75 Ca 0.00 -0.44 -0.35 0.00 -1.01 0.00 0.00 66.70 64.89 1fng h VAL 75 Cb 0.18 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.65 1fng h VAL 75 CO 0.00 0.13 -2.12 0.47 -1.01 0.00 0.00 177.57 175.04 1fng n ASP 76 N -4.35 1.95 0.28 3.17 8.00 0.36 -1.39 116.55 124.57 1fng n ASP 76 Ca -0.03 0.35 0.18 0.00 0.71 0.00 0.00 54.79 56.00 1fng n ASP 76 Cb 0.20 -0.82 0.76 0.00 -0.02 0.00 0.00 41.12 41.24 1fng n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1fng h THR 77 N -1.00 0.07 0.00 -3.53 1.35 -1.28 -1.71 112.91 106.81 1fng h THR 77 Ca -0.53 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1fng h THR 77 Cb 1.45 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1fng h THR 77 CO -0.32 0.02 -0.07 0.52 -0.25 0.00 0.00 175.52 175.42 1fng n VAL 78 N -3.14 1.19 0.18 6.82 0.31 -0.21 -4.57 118.33 118.92 1fng n VAL 78 Ca -0.00 0.37 -0.08 0.00 -0.01 0.00 0.00 64.34 64.62 1fng n VAL 78 Cb 0.27 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.55 1fng n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fng h ARG 80 N -0.50 0.78 -0.25 0.00 3.08 -1.28 -0.58 114.38 115.63 1fng h ARG 80 Ca -0.05 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1fng h ARG 80 Cb 0.39 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1fng h ARG 80 CO 0.06 0.57 -0.15 1.25 -1.07 0.00 0.00 179.97 180.63 1fng h HIS 81 N 0.77 -0.38 -0.22 3.04 2.76 -1.31 -1.77 115.15 118.04 1fng h HIS 81 Ca 0.20 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1fng h HIS 81 Cb 0.00 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1fng h HIS 81 CO -0.02 -0.22 -0.49 -0.91 -1.30 0.00 0.00 177.93 174.99 1fng h ASN 82 N -0.13 0.64 -0.80 3.26 2.35 -0.68 -3.07 115.58 117.15 1fng h ASN 82 Ca 0.14 -0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1fng h ASN 82 Cb 0.34 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1fng h ASN 82 CO -0.33 1.03 0.51 0.22 -1.65 0.00 0.00 177.43 177.21 1fng h TYR 83 N 0.47 0.96 0.00 1.19 3.20 -0.69 0.08 116.97 122.17 1fng h TYR 83 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1fng h TYR 83 Cb 1.03 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1fng h TYR 83 CO 0.04 0.55 -0.07 0.93 -1.64 0.00 0.00 178.16 177.97 1fng h GLU 84 N 0.99 0.00 0.01 1.82 5.08 -1.24 0.53 114.58 121.77 1fng h GLU 84 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1fng h GLU 84 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1fng h GLU 84 CO -0.11 0.07 -0.10 0.82 -1.00 0.00 0.00 179.01 178.70 1fng h ILE 85 N 0.00 1.65 0.00 3.13 2.04 -1.14 -3.31 117.51 119.88 1fng h ILE 85 Ca -0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.78 1fng h ILE 85 Cb 0.13 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1fng h ILE 85 CO 0.01 0.54 -0.23 -0.26 0.00 0.00 0.00 178.15 178.20 1fng h PHE 86 N -0.75 0.00 0.00 1.37 0.04 -0.58 -2.52 116.94 114.50 1fng h PHE 86 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1fng h PHE 86 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1fng h PHE 86 CO 0.22 0.23 0.00 -3.47 -0.60 0.00 0.00 178.31 174.69 1fng n ASP 87 N -3.55 0.56 0.10 2.17 2.03 0.18 -0.56 116.55 117.49 1fng n ASP 87 Ca -0.01 0.72 0.12 0.00 0.52 0.00 0.00 54.79 56.15 1fng n ASP 87 Cb 0.38 -0.81 0.20 0.00 -0.72 0.00 0.00 41.12 40.17 1fng n ASP 87 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1fng h ASN 88 N 0.00 0.00 0.00 1.67 2.35 -1.60 -3.39 115.58 114.61 1fng h ASN 88 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1fng h ASN 88 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1fng h ASN 88 CO 0.00 0.05 0.00 2.22 -1.65 0.00 0.00 177.43 178.05 1fng n PHE 89 N -2.38 0.00 -0.09 1.19 -1.74 -0.77 -4.89 117.46 108.78 1fng n PHE 89 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.77 1fng n PHE 89 Cb 0.47 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.39 1fng n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1fng h LEU 90 N 0.00 0.00 -0.72 5.98 3.38 -1.10 -3.26 115.31 119.59 1fng h LEU 90 Ca 0.00 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.71 1fng h LEU 90 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1fng h LEU 90 CO 0.00 1.19 0.31 0.58 0.09 0.00 0.00 178.44 180.60 1fng h VAL 91 N -1.00 0.74 -0.00 1.22 2.07 -1.74 -1.99 116.25 115.54 1fng h VAL 91 Ca -0.20 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1fng h VAL 91 Cb 0.98 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1fng h VAL 91 CO -0.12 0.09 -0.02 -0.81 0.02 0.00 0.00 177.57 176.72 1fng n PRO 92 N -4.96 0.11 -1.62 1.57 -0.04 -1.26 -4.93 135.00 123.88 1fng n PRO 92 Ca 0.12 -0.01 -0.48 0.00 -0.04 0.00 0.00 63.50 63.09 1fng n PRO 92 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1fng n PRO 92 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1fng n ARG 93 N -1.44 1.59 -3.68 0.54 0.63 -0.75 -4.98 116.66 108.57 1fng n ARG 93 Ca 0.09 0.57 -0.11 0.00 -0.92 0.00 0.00 57.85 57.48 1fng n ARG 93 Cb 0.32 -2.22 -0.12 0.00 0.45 0.00 0.00 32.46 30.89 1fng n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1fng s ARG 94 N 0.24 0.25 -0.15 -0.14 0.52 -1.26 -4.22 118.95 114.20 1fng s ARG 94 Ca 0.77 0.82 0.01 0.00 -0.52 0.00 0.00 55.73 56.82 1fng s ARG 94 Cb -0.80 0.08 0.02 0.00 0.52 0.00 0.00 34.95 34.76 1fng s ARG 94 CO 0.46 -0.24 -0.18 0.08 0.02 0.00 0.00 175.30 175.44 1fng s VAL 95 N 2.16 1.82 0.22 3.52 1.01 -0.20 -4.95 120.40 123.96 1fng s VAL 95 Ca -0.03 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1fng s VAL 95 Cb -0.11 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1fng s VAL 95 CO -0.11 0.50 1.28 -1.61 0.00 0.00 0.00 175.10 175.17 1fng s GLU 96 N 1.15 4.41 0.45 2.72 2.02 -1.26 -2.15 118.70 126.04 1fng s GLU 96 Ca -0.01 2.03 -0.22 0.00 0.02 0.00 0.00 54.97 56.80 1fng s GLU 96 Cb -0.14 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 1fng s GLU 96 CO -0.07 -0.19 1.05 -1.25 0.02 0.00 0.00 175.26 174.82 1fng s PRO 97 N -0.42 3.93 -0.19 0.39 0.04 -1.26 -4.58 135.00 132.92 1fng s PRO 97 Ca 0.54 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1fng s PRO 97 Cb -0.36 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1fng s PRO 97 CO 0.40 -0.34 0.13 0.99 0.04 0.00 0.00 177.00 178.22 1fng s THR 98 N -1.81 5.40 -0.11 1.26 2.01 -0.38 -4.92 115.64 117.10 1fng s THR 98 Ca 0.63 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.85 1fng s THR 98 Cb -0.20 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1fng s THR 98 CO 0.24 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.75 1fng s VAL 99 N 0.13 1.80 0.02 3.82 1.01 -1.26 -1.18 120.40 124.74 1fng s VAL 99 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1fng s VAL 99 Cb -0.11 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1fng s VAL 99 CO -0.01 0.50 -0.02 0.42 0.00 0.00 0.00 175.10 175.99 1fng s THR 100 N 0.63 0.09 -0.02 3.92 -4.23 -0.41 -5.00 115.64 110.61 1fng s THR 100 Ca -0.13 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1fng s THR 100 Cb -0.16 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 1fng s THR 100 CO 0.04 -0.38 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.81 1fng s VAL 101 N -1.11 1.85 -0.15 2.29 1.01 -1.26 -0.37 120.40 122.66 1fng s VAL 101 Ca -0.12 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1fng s VAL 101 Cb -0.08 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.84 1fng s VAL 101 CO -0.01 0.52 0.72 -0.72 0.00 0.00 0.00 175.10 175.61 1fng s TYR 102 N -0.49 -0.70 0.47 5.22 -0.85 -0.51 -4.99 117.35 115.49 1fng s TYR 102 Ca 0.07 1.46 -0.09 0.00 -0.52 0.00 0.00 57.07 57.99 1fng s TYR 102 Cb -0.10 0.35 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 1fng s TYR 102 CO -0.00 -0.49 0.83 -1.25 -1.52 0.00 0.00 175.55 173.11 1fng s PRO 103 N -0.48 3.69 -0.22 -3.49 0.04 -1.26 -0.56 135.00 132.72 1fng s PRO 103 Ca -0.06 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 1fng s PRO 103 Cb -0.02 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1fng s PRO 103 CO 0.05 -0.19 0.04 0.95 0.04 0.00 0.00 177.00 177.89 1fng s THR 104 N -2.63 0.73 0.00 1.26 -4.23 -0.41 -4.91 115.64 105.45 1fng s THR 104 Ca 0.51 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1fng s THR 104 Cb -0.10 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1fng s THR 104 CO 0.39 -0.29 0.00 2.29 -0.54 0.00 0.00 174.62 176.47 1fng n LYS 105 N 4.96 0.00 -3.94 3.99 -0.00 -1.26 -3.59 118.16 118.31 1fng n LYS 105 Ca -0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.88 1fng n LYS 105 Cb 0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.35 1fng n LYS 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1fng s THR 106 N -2.00 3.33 0.00 0.58 -4.23 -1.26 -5.00 115.64 107.06 1fng s THR 106 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1fng s THR 106 Cb 0.00 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1fng s THR 106 CO 0.00 0.43 0.00 1.67 -0.54 0.00 0.00 174.62 176.18 1fng n GLN 107 N 4.74 0.00 -3.13 3.99 -0.06 -1.26 -4.02 117.38 117.64 1fng n GLN 107 Ca -0.18 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.42 1fng n GLN 107 Cb 0.51 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.63 1fng n GLN 107 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1fng s PRO 108 N 0.00 4.28 -0.00 3.69 0.04 -1.26 -4.89 135.00 136.86 1fng s PRO 108 Ca 0.00 0.65 0.22 0.00 0.04 0.00 0.00 61.00 61.91 1fng s PRO 108 Cb 0.00 -3.53 -0.24 0.00 0.04 0.00 0.00 34.50 30.77 1fng s PRO 108 CO 0.00 -0.12 0.72 1.47 0.04 0.00 0.00 177.00 179.11 1fng n LEU 109 N 4.59 0.46 0.00 -3.56 -0.00 -1.26 -5.00 117.00 112.24 1fng n LEU 109 Ca -0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1fng n LEU 109 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1fng n LEU 109 CO 0.44 0.09 0.00 -0.62 -0.00 0.00 0.00 177.39 177.30 1fng n GLU 110 N -1.96 0.00 0.00 1.47 -0.58 -1.26 -4.20 120.64 114.11 1fng n GLU 110 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1fng n GLU 110 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1fng n GLU 110 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1fng n HIS 111 N 0.00 0.00 -3.85 -0.32 -0.00 -1.26 -5.09 115.22 104.70 1fng n HIS 111 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 1fng n HIS 111 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 1fng n HIS 111 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1fng s HIS 112 N 0.00 -0.04 0.09 1.57 3.76 -1.26 -5.03 115.29 114.39 1fng s HIS 112 Ca 0.00 0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.96 1fng s HIS 112 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.64 1fng s HIS 112 CO 0.00 -0.02 0.33 0.54 -0.85 0.00 0.00 174.74 174.73 1fng s ASN 113 N 0.08 6.48 -0.11 1.40 6.03 -1.21 -4.91 114.94 122.71 1fng s ASN 113 Ca -0.00 0.55 -0.10 0.00 -1.03 0.00 0.00 52.86 52.27 1fng s ASN 113 Cb -0.01 -2.08 -0.05 0.00 -3.03 0.00 0.00 41.25 36.09 1fng s ASN 113 CO -0.00 0.13 0.22 -0.76 -2.03 0.00 0.00 177.10 174.66 1fng s LEU 114 N -2.37 4.36 -0.29 3.54 1.43 -1.24 -2.22 118.68 121.91 1fng s LEU 114 Ca 0.36 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1fng s LEU 114 Cb -0.13 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1fng s LEU 114 CO 0.23 0.31 0.19 -0.22 0.23 0.00 0.00 176.35 177.09 1fng s LEU 115 N -0.61 4.08 -0.22 1.79 2.96 -0.05 -1.29 118.68 125.34 1fng s LEU 115 Ca 0.16 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.88 1fng s LEU 115 Cb -0.13 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1fng s LEU 115 CO 0.05 -0.08 0.14 -0.69 -1.32 0.00 0.00 176.35 174.45 1fng s VAL 116 N 1.75 5.34 -0.43 1.68 1.01 0.28 -0.33 120.40 129.68 1fng s VAL 116 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1fng s VAL 116 Cb -0.16 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.85 1fng s VAL 116 CO 0.11 0.38 0.28 0.00 0.00 0.00 0.00 175.10 175.87 1fng s SER 118 N 2.26 6.55 -0.26 0.00 0.15 0.50 -1.84 113.70 121.07 1fng s SER 118 Ca 0.04 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.39 1fng s SER 118 Cb -0.24 -2.31 0.06 0.00 -1.71 0.00 0.00 66.02 61.83 1fng s SER 118 CO 0.01 -0.25 -0.09 -0.69 1.20 0.00 0.00 173.24 173.42 1fng s VAL 119 N 1.98 2.00 0.35 4.45 1.01 -0.64 -1.29 120.40 128.26 1fng s VAL 119 Ca 0.24 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1fng s VAL 119 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1fng s VAL 119 CO 0.09 -0.07 0.12 -0.94 0.00 0.00 0.00 175.10 174.30 1fng s SER 120 N 1.17 2.20 -1.29 3.32 1.04 -0.32 -0.79 113.70 119.04 1fng s SER 120 Ca -0.07 -1.56 -0.03 0.00 0.48 0.00 0.00 55.95 54.77 1fng s SER 120 Cb -0.20 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1fng s SER 120 CO -0.06 -0.84 0.68 -0.67 0.98 0.00 0.00 173.24 173.34 1fng n ASP 121 N -1.01 -1.76 -4.34 7.02 2.03 -0.56 -1.24 116.55 116.68 1fng n ASP 121 Ca -0.03 -0.86 -0.18 0.00 0.52 0.00 0.00 54.79 54.25 1fng n ASP 121 Cb 0.65 -3.92 -0.10 0.00 -0.72 0.00 0.00 41.12 37.03 1fng n ASP 121 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1fng s PHE 122 N -3.67 1.65 -0.28 -0.67 -0.71 -0.96 -4.14 117.98 109.21 1fng s PHE 122 Ca 0.08 -0.67 -0.23 0.00 -1.04 0.00 0.00 56.93 55.06 1fng s PHE 122 Cb -0.02 -0.83 0.09 0.00 -1.21 0.00 0.00 43.02 41.05 1fng s PHE 122 CO 0.82 0.25 0.82 -0.47 -1.34 0.00 0.00 175.22 175.30 1fng s TYR 123 N -3.09 -0.72 0.39 3.49 6.14 -0.92 -0.34 117.35 122.30 1fng s TYR 123 Ca 0.23 1.70 -0.07 0.00 0.64 0.00 0.00 57.07 59.58 1fng s TYR 123 Cb 0.01 0.34 0.09 0.00 0.42 0.00 0.00 41.96 42.83 1fng s TYR 123 CO 0.07 -0.35 0.43 -0.35 0.64 0.00 0.00 175.55 175.98 1fng n PRO 124 N 2.80 -1.16 0.24 4.97 -0.04 -1.26 -1.04 135.00 139.51 1fng n PRO 124 Ca -0.15 -0.67 0.12 0.00 -0.04 0.00 0.00 63.50 62.77 1fng n PRO 124 Cb 0.56 -0.54 0.46 0.00 -0.04 0.00 0.00 33.50 33.94 1fng n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1fng h GLY 125 N -0.98 0.00 -5.57 0.55 0.00 -1.99 -3.45 103.07 91.63 1fng h GLY 125 Ca -0.15 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.64 1fng h GLY 125 CO 0.10 0.00 1.26 0.70 0.00 0.00 0.00 176.54 178.60 1fng n ASN 126 N -3.22 4.02 -3.52 0.19 3.02 -1.26 -4.94 115.26 109.55 1fng n ASN 126 Ca 0.01 0.83 -0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1fng n ASN 126 Cb 0.42 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.04 1fng n ASN 126 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1fng s ILE 127 N 4.87 0.02 -0.07 2.41 2.07 -1.26 -4.43 121.20 124.80 1fng s ILE 127 Ca 0.91 -0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.96 1fng s ILE 127 Cb -0.45 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.15 1fng s ILE 127 CO 0.42 -0.10 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.71 1fng s GLU 128 N -3.04 0.92 -0.12 3.50 0.41 -0.48 -4.99 118.70 114.90 1fng s GLU 128 Ca -0.02 -0.06 0.01 0.00 -0.41 0.00 0.00 54.97 54.49 1fng s GLU 128 Cb -0.00 -1.08 0.02 0.00 -1.78 0.00 0.00 34.13 31.28 1fng s GLU 128 CO -0.07 -0.21 -0.14 0.08 -0.49 0.00 0.00 175.26 174.43 1fng s VAL 129 N 1.53 1.44 0.05 2.63 1.01 -1.26 -0.84 120.40 124.97 1fng s VAL 129 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1fng s VAL 129 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1fng s VAL 129 CO -0.04 0.43 -0.14 -0.13 0.00 0.00 0.00 175.10 175.23 1fng s ARG 130 N 1.19 0.85 -0.01 2.72 0.52 -0.02 -4.98 118.95 119.21 1fng s ARG 130 Ca -0.03 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1fng s ARG 130 Cb -0.14 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1fng s ARG 130 CO -0.05 0.20 0.05 -1.58 0.02 0.00 0.00 175.30 173.94 1fng s TRP 131 N -1.07 3.20 0.03 -0.53 0.52 -1.26 -0.40 118.94 119.43 1fng s TRP 131 Ca -0.01 0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.29 1fng s TRP 131 Cb -0.09 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1fng s TRP 131 CO 0.02 0.52 -0.07 -0.06 0.02 0.00 0.00 176.95 177.38 1fng s PHE 132 N -1.14 0.57 -0.15 -1.98 0.40 0.67 -1.09 117.98 115.26 1fng s PHE 132 Ca 0.21 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1fng s PHE 132 Cb -0.12 -0.35 0.04 0.00 0.51 0.00 0.00 43.02 43.10 1fng s PHE 132 CO 0.12 -0.07 -0.06 0.50 0.70 0.00 0.00 175.22 176.41 1fng s ARG 133 N -1.18 1.48 -1.50 0.44 3.52 -0.26 -0.75 118.95 120.70 1fng s ARG 133 Ca -0.07 -0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 54.97 1fng s ARG 133 Cb -0.08 -1.87 0.08 0.00 -1.56 0.00 0.00 34.95 31.53 1fng s ARG 133 CO 0.00 -0.37 0.85 0.09 -0.81 0.00 0.00 175.30 175.06 1fng n ASN 134 N 4.90 -4.68 0.00 -2.12 3.02 -0.69 -0.42 115.26 115.26 1fng n ASN 134 Ca -0.12 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1fng n ASN 134 Cb 0.49 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1fng n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fng n GLY 135 N -1.57 0.63 3.55 7.41 0.00 -1.26 -5.02 105.19 108.93 1fng n GLY 135 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1fng n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fng s LYS 136 N -0.06 3.83 0.31 1.61 1.02 0.44 -5.05 119.74 121.83 1fng s LYS 136 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 1fng s LYS 136 Cb 0.00 -3.28 -0.13 0.00 -0.52 0.00 0.00 37.83 33.90 1fng s LYS 136 CO 0.00 0.05 1.24 0.39 -0.92 0.00 0.00 175.35 176.11 1fng n GLU 137 N 4.21 1.93 -3.84 1.68 -0.58 -1.26 -1.10 120.64 121.68 1fng n GLU 137 Ca -0.16 0.68 -0.35 0.00 -0.42 0.00 0.00 57.16 56.91 1fng n GLU 137 Cb 0.52 -2.22 -0.12 0.00 -0.57 0.00 0.00 31.44 29.05 1fng n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1fng s GLU 138 N -1.57 1.92 0.00 3.49 0.41 -0.25 -4.85 118.70 117.84 1fng s GLU 138 Ca 0.58 -1.93 0.20 0.00 -0.41 0.00 0.00 54.97 53.42 1fng s GLU 138 Cb -0.61 -3.49 0.52 0.00 -1.78 0.00 0.00 34.13 28.76 1fng s GLU 138 CO 0.60 -1.05 1.43 1.63 -0.49 0.00 0.00 175.26 177.38 1fng n LYS 139 N 4.36 2.63 -4.25 1.61 5.02 -1.26 -4.55 118.16 121.72 1fng n LYS 139 Ca 0.00 -2.42 -0.22 0.00 -2.02 0.00 0.00 58.31 53.65 1fng n LYS 139 Cb 0.41 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.80 1fng n LYS 139 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fng s THR 140 N -1.12 1.48 -0.40 -0.18 2.01 -1.26 -4.78 115.64 111.39 1fng s THR 140 Ca 0.41 -1.44 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1fng s THR 140 Cb 0.22 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1fng s THR 140 CO 0.29 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1fng n GLY 141 N 1.19 0.40 3.72 4.40 0.00 -1.26 -4.85 105.19 108.78 1fng n GLY 141 Ca -0.20 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1fng n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fng s ILE 142 N -2.19 5.36 -0.11 -0.61 -1.09 -1.26 -1.11 121.20 120.19 1fng s ILE 142 Ca 0.00 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1fng s ILE 142 Cb 0.00 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1fng s ILE 142 CO 0.00 0.40 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.24 1fng s VAL 143 N 0.54 1.70 0.09 2.92 1.01 -0.16 -4.99 120.40 121.51 1fng s VAL 143 Ca 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1fng s VAL 143 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1fng s VAL 143 CO 0.01 0.48 -0.07 -0.55 0.00 0.00 0.00 175.10 174.97 1fng s SER 144 N 0.80 1.12 0.20 3.32 0.15 -1.26 0.19 113.70 118.21 1fng s SER 144 Ca -0.10 -0.91 0.25 0.00 0.70 0.00 0.00 55.95 55.89 1fng s SER 144 Cb -0.16 0.08 0.48 0.00 -1.71 0.00 0.00 66.02 64.71 1fng s SER 144 CO 0.01 -0.41 1.49 0.71 1.20 0.00 0.00 173.24 176.25 1fng h THR 145 N 3.27 0.00 -0.27 6.45 1.35 -1.78 -3.50 112.91 118.43 1fng h THR 145 Ca -0.35 -0.59 0.02 0.00 -0.55 0.00 0.00 66.41 64.94 1fng h THR 145 Cb 1.17 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1fng h THR 145 CO 0.60 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.45 1fng n GLY 146 N 1.28 -2.14 3.68 5.82 0.00 -1.26 -4.74 105.19 107.83 1fng n GLY 146 Ca 0.04 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1fng n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fng s LEU 147 N 0.00 4.33 -0.20 0.99 2.96 -1.26 -4.51 118.68 120.99 1fng s LEU 147 Ca 0.00 2.24 -0.04 0.00 -0.22 0.00 0.00 54.13 56.11 1fng s LEU 147 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1fng s LEU 147 CO 0.00 -0.81 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.49 1fng s VAL 148 N 2.81 3.55 -0.21 1.68 1.01 0.42 -5.00 120.40 124.66 1fng s VAL 148 Ca 0.68 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1fng s VAL 148 Cb -0.34 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1fng s VAL 148 CO 0.28 0.44 0.59 -0.60 0.00 0.00 0.00 175.10 175.81 1fng s ARG 149 N 1.17 4.18 0.10 2.72 3.52 -1.26 -1.23 118.95 128.15 1fng s ARG 149 Ca 0.02 0.54 0.26 0.00 -0.13 0.00 0.00 55.73 56.42 1fng s ARG 149 Cb -0.14 -3.59 0.67 0.00 -1.56 0.00 0.00 34.95 30.33 1fng s ARG 149 CO -0.00 -0.25 1.58 0.09 -0.81 0.00 0.00 175.30 175.90 1fng n ASN 150 N 5.13 0.57 0.00 -2.12 3.02 -0.64 -4.94 115.26 116.29 1fng n ASN 150 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1fng n ASN 150 Cb 0.50 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1fng n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fng n GLY 151 N 1.39 1.11 0.59 7.41 0.00 -1.26 -4.89 105.19 109.53 1fng n GLY 151 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1fng n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fng n ASP 152 N 0.00 1.83 -1.07 1.61 5.68 -1.26 -4.95 116.55 118.39 1fng n ASP 152 Ca 0.00 -3.82 -0.10 0.00 -0.50 0.00 0.00 54.79 50.37 1fng n ASP 152 Cb 0.00 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.44 1fng n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fng n TRP 153 N -1.15 -0.35 -4.07 2.11 7.02 -1.26 -5.03 117.44 114.71 1fng n TRP 153 Ca 0.20 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.55 1fng n TRP 153 Cb 0.71 -2.34 -0.11 0.00 -2.42 0.00 0.00 31.31 27.15 1fng n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1fng s THR 154 N -2.48 0.53 0.36 -0.99 -4.23 -1.26 -4.73 115.64 102.84 1fng s THR 154 Ca 0.00 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1fng s THR 154 Cb 0.00 -0.68 -0.07 0.00 1.34 0.00 0.00 72.50 73.09 1fng s THR 154 CO 0.00 -0.43 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.25 1fng s PHE 155 N -1.56 2.41 0.23 3.99 0.08 0.54 -1.61 117.98 122.04 1fng s PHE 155 Ca -0.09 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.20 1fng s PHE 155 Cb -0.09 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1fng s PHE 155 CO -0.00 0.49 0.55 1.14 -0.10 0.00 0.00 175.22 177.31 1fng s GLN 156 N -3.67 1.52 -0.19 0.44 -2.07 -0.36 -1.50 119.66 113.82 1fng s GLN 156 Ca 0.33 -1.01 -0.28 0.00 -1.82 0.00 0.00 55.36 52.59 1fng s GLN 156 Cb 0.06 0.52 0.11 0.00 -1.09 0.00 0.00 33.01 32.62 1fng s GLN 156 CO 0.17 -0.65 0.95 -0.08 -1.32 0.00 0.00 175.29 174.35 1fng s THR 157 N -3.93 0.00 -0.24 3.63 -1.32 0.03 -0.44 115.64 113.37 1fng s THR 157 Ca 0.13 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.63 1fng s THR 157 Cb -0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1fng s THR 157 CO 0.03 0.00 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.56 1fng s LEU 158 N -0.57 3.18 -0.42 9.08 1.43 -1.26 -1.62 118.68 128.50 1fng s LEU 158 Ca -0.01 -1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 51.81 1fng s LEU 158 Cb -0.02 -1.55 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1fng s LEU 158 CO 0.00 -0.15 0.25 -0.69 0.23 0.00 0.00 176.35 175.99 1fng s VAL 159 N 1.17 4.20 -0.07 -1.59 1.01 -0.77 -1.94 120.40 122.41 1fng s VAL 159 Ca -0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1fng s VAL 159 Cb -0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1fng s VAL 159 CO -0.06 -0.50 0.13 -0.04 0.00 0.00 0.00 175.10 174.63 1fng s MET 160 N 1.42 3.35 -0.21 2.72 -1.94 0.13 -1.78 119.30 122.98 1fng s MET 160 Ca 0.03 -0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 53.74 1fng s MET 160 Cb -0.23 -3.08 0.01 0.00 2.01 0.00 0.00 34.83 33.53 1fng s MET 160 CO 0.02 0.73 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.49 1fng s LEU 161 N -1.33 2.65 -0.16 -0.03 2.96 0.55 -0.99 118.68 122.32 1fng s LEU 161 Ca 0.19 -0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1fng s LEU 161 Cb -0.12 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1fng s LEU 161 CO 0.09 -0.02 1.14 -1.61 -1.32 0.00 0.00 176.35 174.62 1fng s GLU 162 N 1.40 4.29 0.29 1.98 2.02 -0.26 -0.87 118.70 127.54 1fng s GLU 162 Ca 0.05 1.52 -0.12 0.00 0.02 0.00 0.00 54.97 56.44 1fng s GLU 162 Cb -0.14 -3.66 0.01 0.00 0.10 0.00 0.00 34.13 30.44 1fng s GLU 162 CO -0.07 -0.58 0.55 0.95 0.02 0.00 0.00 175.26 176.13 1fng s THR 163 N 2.98 0.00 -0.41 3.63 -4.23 -0.94 -4.89 115.64 111.78 1fng s THR 163 Ca 0.50 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1fng s THR 163 Cb -0.19 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.38 1fng s THR 163 CO 0.13 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.68 1fng s VAL 164 N -3.53 1.96 0.21 2.29 1.01 -1.26 -3.28 120.40 117.79 1fng s VAL 164 Ca 0.22 -2.51 -0.31 0.00 0.00 0.00 0.00 61.98 59.38 1fng s VAL 164 Cb -0.02 -2.41 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 1fng s VAL 164 CO 0.12 -0.73 1.63 -2.84 0.00 0.00 0.00 175.10 173.28 1fng s PRO 165 N 0.57 4.16 -0.03 2.72 0.02 -1.26 -5.03 135.00 136.16 1fng s PRO 165 Ca 0.14 2.50 0.06 0.00 0.02 0.00 0.00 61.00 63.72 1fng s PRO 165 Cb -0.22 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1fng s PRO 165 CO -0.07 -0.66 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.08 1fng s GLN 166 N 0.72 1.80 0.31 5.54 -0.21 -1.26 -5.10 119.66 121.46 1fng s GLN 166 Ca 0.70 -0.74 -0.27 0.00 0.02 0.00 0.00 55.36 55.07 1fng s GLN 166 Cb -0.47 -1.68 -0.14 0.00 1.00 0.00 0.00 33.01 31.73 1fng s GLN 166 CO 0.36 0.40 0.87 -1.13 -2.12 0.00 0.00 175.29 173.67 1fng n SER 167 N 2.71 0.61 0.00 5.90 3.41 -1.26 -1.82 113.62 123.17 1fng n SER 167 Ca -0.16 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1fng n SER 167 Cb 0.53 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1fng n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fng n GLY 168 N 1.41 2.80 3.74 5.00 0.00 -1.26 -5.03 105.19 111.85 1fng n GLY 168 Ca 0.11 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1fng n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fng n GLU 169 N 0.00 2.73 -3.88 1.61 1.02 -0.76 -4.99 120.64 116.37 1fng n GLU 169 Ca 0.00 0.98 -0.35 0.00 -0.02 0.00 0.00 57.16 57.76 1fng n GLU 169 Cb 0.00 -2.78 -0.14 0.00 -0.02 0.00 0.00 31.44 28.51 1fng n GLU 169 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1fng s VAL 170 N 0.28 3.33 -0.13 2.62 1.01 -1.26 -4.95 120.40 121.30 1fng s VAL 170 Ca 0.67 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1fng s VAL 170 Cb -0.50 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1fng s VAL 170 CO 0.45 0.20 0.12 -0.31 0.00 0.00 0.00 175.10 175.56 1fng s TYR 171 N 1.41 3.52 -0.06 5.22 1.51 0.04 -1.70 117.35 127.29 1fng s TYR 171 Ca 0.02 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 1fng s TYR 171 Cb -0.16 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1fng s TYR 171 CO -0.02 0.65 -0.08 0.99 -1.11 0.00 0.00 175.55 175.98 1fng s THR 172 N -0.84 0.81 -0.20 -0.71 2.01 0.07 -0.10 115.64 116.69 1fng s THR 172 Ca 0.14 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1fng s THR 172 Cb -0.12 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1fng s THR 172 CO 0.03 0.29 0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1fng s GLN 174 N 0.49 2.95 -0.07 0.00 0.74 0.46 -0.67 119.66 123.56 1fng s GLN 174 Ca 0.06 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1fng s GLN 174 Cb -0.12 -2.42 0.01 0.00 1.10 0.00 0.00 33.01 31.58 1fng s GLN 174 CO 0.00 0.34 -0.14 0.08 -0.55 0.00 0.00 175.29 175.02 1fng s VAL 175 N -0.01 1.29 -0.05 1.34 1.01 0.71 -0.84 120.40 123.85 1fng s VAL 175 Ca -0.05 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1fng s VAL 175 Cb -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1fng s VAL 175 CO 0.05 0.39 -0.23 -1.61 0.00 0.00 0.00 175.10 173.70 1fng s GLU 176 N 0.59 2.50 -0.14 2.72 2.02 -0.02 -1.07 118.70 125.31 1fng s GLU 176 Ca -0.15 -0.87 -0.28 0.00 0.02 0.00 0.00 54.97 53.69 1fng s GLU 176 Cb -0.16 -2.20 0.07 0.00 0.10 0.00 0.00 34.13 31.94 1fng s GLU 176 CO 0.05 0.44 0.68 -1.58 0.02 0.00 0.00 175.26 174.87 1fng s HIS 177 N -0.31 -0.70 0.65 1.61 2.46 -1.26 -1.38 115.29 116.36 1fng s HIS 177 Ca 0.01 1.43 0.33 0.00 0.47 0.00 0.00 55.06 57.30 1fng s HIS 177 Cb -0.13 0.34 1.78 0.00 -0.13 0.00 0.00 32.58 34.44 1fng s HIS 177 CO 0.02 -0.51 2.03 -1.00 -2.47 0.00 0.00 174.74 172.82 1fng h PRO 178 N 3.87 0.00 -0.04 2.88 0.13 -1.95 0.56 132.00 137.46 1fng h PRO 178 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1fng h PRO 178 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1fng h PRO 178 CO 0.25 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.89 1fng n SER 179 N -3.14 0.56 -4.08 1.44 3.41 -1.26 -4.73 113.62 105.82 1fng n SER 179 Ca -0.01 -1.40 -0.32 0.00 -0.26 0.00 0.00 58.87 56.88 1fng n SER 179 Cb 0.34 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.10 1fng n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fng s LEU 180 N -1.72 2.07 0.19 1.04 1.43 0.19 -4.87 118.68 117.01 1fng s LEU 180 Ca 0.35 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1fng s LEU 180 Cb 0.17 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 45.13 1fng s LEU 180 CO 0.27 -0.04 1.80 0.71 0.23 0.00 0.00 176.35 179.32 1fng h THR 181 N 6.06 1.21 -2.73 5.49 1.35 -1.85 -3.43 112.91 119.01 1fng h THR 181 Ca -0.41 -0.55 -0.56 0.00 -0.55 0.00 0.00 66.41 64.34 1fng h THR 181 Cb 1.13 0.36 -0.15 0.00 -1.73 0.00 0.00 68.15 67.75 1fng h THR 181 CO 0.58 0.24 -0.77 -1.81 -0.25 0.00 0.00 175.52 173.51 1fng s ASP 182 N -6.00 3.13 0.64 5.36 1.01 -1.26 -5.11 116.67 114.43 1fng s ASP 182 Ca -0.13 -0.97 -0.18 0.00 0.71 0.00 0.00 52.55 51.98 1fng s ASP 182 Cb 0.14 -0.22 -0.02 0.00 1.01 0.00 0.00 42.92 43.83 1fng s ASP 182 CO 0.79 -0.02 1.26 -2.84 0.21 0.00 0.00 175.17 174.57 1fng s PRO 183 N -3.30 2.66 -0.09 8.23 0.02 -1.26 -4.93 135.00 136.33 1fng s PRO 183 Ca 0.24 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 1fng s PRO 183 Cb -0.04 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1fng s PRO 183 CO 0.11 -1.49 0.04 0.08 -0.33 0.00 0.00 177.00 175.41 1fng s VAL 184 N -1.51 4.67 -0.03 3.83 1.01 -0.23 -4.94 120.40 123.21 1fng s VAL 184 Ca 0.80 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1fng s VAL 184 Cb -0.35 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1fng s VAL 184 CO 0.38 0.60 -0.06 0.42 0.00 0.00 0.00 175.10 176.44 1fng s THR 185 N -0.94 0.59 -0.09 3.92 -4.23 -1.26 -0.21 115.64 113.43 1fng s THR 185 Ca 0.14 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1fng s THR 185 Cb -0.12 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1fng s THR 185 CO 0.03 0.22 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.46 1fng s VAL 186 N 0.59 1.61 0.15 2.29 1.01 0.15 -4.96 120.40 121.25 1fng s VAL 186 Ca -0.08 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1fng s VAL 186 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1fng s VAL 186 CO 0.00 0.46 -0.03 -1.61 0.00 0.00 0.00 175.10 173.93 1fng s GLU 187 N 0.53 2.33 0.00 2.72 2.02 -1.26 -0.23 118.70 124.81 1fng s GLU 187 Ca -0.16 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1fng s GLU 187 Cb -0.17 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1fng s GLU 187 CO 0.06 0.47 0.02 1.87 0.02 0.00 0.00 175.26 177.70