#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fne s LYS 7 N 0.00 4.37 -0.24 1.64 -0.14 -1.26 -5.01 119.74 119.11 1fne s LYS 7 Ca 0.00 2.16 -0.11 0.00 -1.36 0.00 0.00 55.97 56.65 1fne s LYS 7 Cb 0.00 -3.12 -0.05 0.00 -1.68 0.00 0.00 37.83 32.98 1fne s LYS 7 CO 0.00 -0.21 0.20 0.08 -0.76 0.00 0.00 175.35 174.66 1fne s VAL 8 N -0.63 5.33 0.15 3.17 1.01 -1.26 -5.06 120.40 123.11 1fne s VAL 8 Ca 0.52 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1fne s VAL 8 Cb -0.39 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1fne s VAL 8 CO 0.47 0.32 1.08 -0.63 0.00 0.00 0.00 175.10 176.34 1fne s ILE 1 N 1.14 4.01 0.04 2.22 1.01 -1.26 -4.96 121.20 123.40 1fne s ILE 1 Ca 0.09 1.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.43 1fne s ILE 1 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1fne s ILE 1 CO 0.05 0.27 0.19 0.42 0.00 0.00 0.00 174.94 175.87 1fne s THR 2 N -0.07 5.33 0.21 2.92 -4.23 -1.26 -5.12 115.64 113.42 1fne s THR 2 Ca 0.50 -0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 1fne s THR 2 Cb -0.28 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1fne s THR 2 CO 0.33 0.21 0.19 0.00 -0.54 0.00 0.00 174.62 174.81 1fne s ALA 3 N -1.43 3.62 0.39 3.99 0.00 -1.26 -4.93 121.76 122.14 1fne s ALA 3 Ca 0.32 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 1fne s ALA 3 Cb -0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1fne s ALA 3 CO 0.24 0.37 0.98 -0.06 0.00 0.00 0.00 175.76 177.28 1fne s PHE 4 N -1.95 3.41 -0.08 0.00 0.08 -1.26 -4.99 117.98 113.20 1fne s PHE 4 Ca 0.32 1.68 -0.22 0.00 0.12 0.00 0.00 56.93 58.83 1fne s PHE 4 Cb -0.09 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1fne s PHE 4 CO 0.25 -0.17 0.63 1.21 -0.10 0.00 0.00 175.22 177.04 1fne s ASN 5 N -1.82 6.90 -0.16 1.36 2.47 -1.26 -5.06 114.94 117.37 1fne s ASN 5 Ca 0.57 1.08 -0.16 0.00 0.42 0.00 0.00 52.86 54.76 1fne s ASN 5 Cb -0.16 -2.37 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 1fne s ASN 5 CO 0.21 -0.08 0.41 -1.81 -3.72 0.00 0.00 177.10 172.11 1fne s ASP 6 N 0.74 6.55 0.47 -4.21 1.01 -1.26 -5.04 116.67 114.92 1fne s ASP 6 Ca 0.34 0.65 -0.16 0.00 0.71 0.00 0.00 52.55 54.08 1fne s ASP 6 Cb -0.17 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.43 1fne s ASP 6 CO 0.16 -0.00 0.93 -0.83 0.21 0.00 0.00 175.17 175.63 1fne s GLY 7 N 0.72 2.13 -0.03 0.21 0.00 -1.26 -5.04 107.32 104.05 1fne s GLY 7 Ca 0.22 0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.89 1fne s GLY 7 CO 0.08 0.42 0.58 1.08 0.00 0.00 0.00 173.10 175.25 1fne s LEU 8 N -3.79 4.38 0.50 0.66 1.43 -1.26 -5.07 118.68 115.53 1fne s LEU 8 Ca 0.58 1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 1fne s LEU 8 Cb -0.10 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 1fne s LEU 8 CO 0.27 0.07 0.79 -0.54 0.23 0.00 0.00 176.35 177.17 1fne s LYS 9 N 0.02 3.35 0.15 1.70 1.02 -1.26 -5.01 119.74 119.72 1fne s LYS 9 Ca 0.30 0.06 0.09 0.00 0.02 0.00 0.00 55.97 56.45 1fne s LYS 9 Cb -0.17 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1fne s LYS 9 CO 0.16 -0.31 -0.21 0.20 -0.92 0.00 0.00 175.35 174.27 1fne s GLY 1 N -4.16 1.45 0.00 -3.33 0.00 -1.26 -5.15 107.32 94.87 1fne s GLY 1 Ca 0.49 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1fne s GLY 1 CO 0.44 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1fne n GLY 2 N 0.58 2.40 0.00 0.20 0.00 -1.26 -4.90 105.19 102.21 1fne n GLY 2 Ca -0.15 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1fne n GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 3 N 5.00 0.58 3.49 -0.02 0.00 -1.26 -5.07 105.19 107.91 1fne n GLY 3 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1fne n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fne s GLY 4 N -1.38 -0.36 0.17 -0.02 0.00 -1.26 -5.18 107.32 99.29 1fne s GLY 4 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 1fne s GLY 4 CO 0.00 -0.06 0.15 -1.35 0.00 0.00 0.00 173.10 171.85 1fne s SER 5 N -2.81 0.18 0.07 1.64 1.04 -1.26 -5.17 113.70 107.39 1fne s SER 5 Ca 0.05 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.33 1fne s SER 5 Cb -0.01 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1fne s SER 5 CO -0.08 -0.82 -0.00 -0.76 0.98 0.00 0.00 173.24 172.56 1fne s LEU 6 N -3.07 3.46 -0.19 2.42 1.43 -1.26 -5.07 118.68 116.41 1fne s LEU 6 Ca 0.27 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1fne s LEU 6 Cb 0.06 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1fne s LEU 6 CO 0.05 0.20 1.72 -0.69 0.23 0.00 0.00 176.35 177.86 1fne s VAL 7 N -1.25 3.55 0.00 -1.59 1.01 -1.26 -4.57 120.40 116.29 1fne s VAL 7 Ca 0.24 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1fne s VAL 7 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1fne s VAL 7 CO 0.16 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1fne n GLY 8 N 4.76 0.00 0.00 4.51 0.00 -1.26 -4.91 105.19 108.29 1fne n GLY 8 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1fne n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 9 N 0.77 -2.51 0.00 -0.02 0.00 -1.26 -5.03 105.19 97.14 1fne n GLY 9 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1fne n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 10 N -0.20 1.70 0.64 -0.02 0.00 -1.26 -5.11 105.19 100.94 1fne n GLY 10 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1fne n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fne n SER 11 N 0.00 0.24 0.00 1.61 2.88 -1.26 -5.01 113.62 112.08 1fne n SER 11 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1fne n SER 11 Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1fne n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fne n GLY 12 N 2.75 0.65 0.00 0.46 0.00 -1.26 -4.90 105.19 102.89 1fne n GLY 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1fne n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 13 N -2.69 2.54 0.00 -0.02 0.00 -1.26 -5.18 105.19 98.59 1fne n GLY 13 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1fne n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 14 N 0.15 0.95 1.85 -0.02 0.00 -1.26 -4.91 105.19 101.94 1fne n GLY 14 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1fne n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fne n GLY 15 N 1.56 2.28 3.64 -0.02 0.00 -1.26 -5.01 105.19 106.39 1fne n GLY 15 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1fne n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fne s SER 16 N 0.12 2.64 -0.01 1.61 0.01 -1.26 -4.91 113.70 111.90 1fne s SER 16 Ca 0.00 1.82 -0.30 0.00 1.31 0.00 0.00 55.95 58.78 1fne s SER 16 Cb 0.00 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1fne s SER 16 CO 0.00 -3.21 1.57 -0.60 0.41 0.00 0.00 173.24 171.41 1fne s ARG 4 N -4.68 4.21 0.44 12.44 3.52 -1.26 -4.95 118.95 128.67 1fne s ARG 4 Ca 0.66 2.15 -0.25 0.00 -0.13 0.00 0.00 55.73 58.15 1fne s ARG 4 Cb -0.22 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.33 1fne s ARG 4 CO 0.59 -0.74 1.37 -2.14 -0.81 0.00 0.00 175.30 173.58 1fne s PRO 5 N 3.19 3.75 0.03 5.12 0.02 -1.26 -5.02 135.00 140.83 1fne s PRO 5 Ca 0.70 2.30 -0.07 0.00 0.02 0.00 0.00 61.00 63.95 1fne s PRO 5 Cb -0.34 -2.66 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 1fne s PRO 5 CO 0.29 -0.72 0.14 1.67 -0.33 0.00 0.00 177.00 178.05 1fne s TRP 6 N -1.24 0.13 -0.04 6.54 1.48 -1.26 -5.15 118.94 119.39 1fne s TRP 6 Ca 0.60 -0.37 -0.01 0.00 -1.06 0.00 0.00 56.10 55.26 1fne s TRP 6 Cb -0.41 -0.09 0.03 0.00 -1.16 0.00 0.00 33.47 31.84 1fne s TRP 6 CO 0.53 -0.38 0.03 -0.06 -4.06 0.00 0.00 176.95 173.00 1fne s PHE 7 N -2.46 0.27 -0.08 1.66 0.08 -1.26 -4.99 117.98 111.20 1fne s PHE 7 Ca -0.06 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.09 1fne s PHE 7 Cb -0.02 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.93 1fne s PHE 7 CO -0.04 -0.20 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.58 1fne s LEU 8 N 1.73 1.65 -0.29 -0.37 2.96 -1.26 -4.99 118.68 118.11 1fne s LEU 8 Ca -0.00 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1fne s LEU 8 Cb -0.13 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.65 1fne s LEU 8 CO -0.03 0.02 0.07 -0.70 -1.32 0.00 0.00 176.35 174.40 1fne s GLU 9 N 0.81 3.07 -0.05 1.98 2.56 -1.26 -1.22 118.70 124.59 1fne s GLU 9 Ca -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 54.97 54.00 1fne s GLU 9 Cb -0.15 -3.35 0.02 0.00 2.00 0.00 0.00 34.13 32.64 1fne s GLU 9 CO 0.02 -0.44 -0.08 -0.47 -0.56 0.00 0.00 175.26 173.73 1fne s TYR 10 N 1.49 1.00 -0.05 5.30 5.04 -0.24 -5.01 117.35 124.87 1fne s TYR 10 Ca 0.02 -0.31 0.03 0.00 -2.44 0.00 0.00 57.07 54.37 1fne s TYR 10 Cb -0.17 -0.79 0.01 0.00 0.35 0.00 0.00 41.96 41.36 1fne s TYR 10 CO 0.02 -0.20 -0.12 0.00 -1.34 0.00 0.00 175.55 173.91 1fne s LYS 12 N 0.47 2.69 -0.41 0.00 1.02 0.05 -4.99 119.74 118.57 1fne s LYS 12 Ca -0.10 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 54.81 1fne s LYS 12 Cb -0.13 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1fne s LYS 12 CO 0.02 -0.32 0.28 -1.12 -0.92 0.00 0.00 175.35 173.29 1fne s SER 13 N 1.26 5.90 -0.20 2.83 0.01 -1.26 -0.47 113.70 121.76 1fne s SER 13 Ca 0.01 -1.12 -0.07 0.00 1.31 0.00 0.00 55.95 56.08 1fne s SER 13 Cb -0.15 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1fne s SER 13 CO -0.10 -0.48 0.06 -1.61 0.41 0.00 0.00 173.24 171.52 1fne s GLU 14 N 1.58 3.87 -0.33 12.44 2.02 0.77 -4.95 118.70 134.10 1fne s GLU 14 Ca 0.03 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.51 1fne s GLU 14 Cb -0.21 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 1fne s GLU 14 CO 0.07 0.13 0.22 0.00 0.02 0.00 0.00 175.26 175.70 1fne s HIS 16 N 1.70 3.24 -0.50 0.00 3.76 0.87 -4.97 115.29 119.39 1fne s HIS 16 Ca 0.06 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.11 1fne s HIS 16 Cb -0.17 -2.52 0.08 0.00 1.11 0.00 0.00 32.58 31.08 1fne s HIS 16 CO 0.10 -0.59 0.48 -0.06 -0.85 0.00 0.00 174.74 173.82 1fne s PHE 17 N 1.64 3.19 -0.59 1.40 0.40 -1.26 -1.09 117.98 121.67 1fne s PHE 17 Ca 0.04 -0.93 0.26 0.00 -0.60 0.00 0.00 56.93 55.70 1fne s PHE 17 Cb -0.19 -3.43 0.81 0.00 0.51 0.00 0.00 43.02 40.72 1fne s PHE 17 CO 0.09 -0.92 1.75 1.88 0.70 0.00 0.00 175.22 178.72 1fne h TYR 18 N 8.86 0.00 -0.03 0.36 0.05 -1.57 -3.39 116.97 121.25 1fne h TYR 18 Ca -0.29 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.41 1fne h TYR 18 Cb 1.10 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.71 1fne h TYR 18 CO 0.69 0.00 -0.13 -1.71 -1.05 0.00 0.00 178.16 175.96 1fne n ASN 19 N -2.43 -1.62 0.00 3.88 5.15 -1.25 -4.96 115.26 114.03 1fne n ASN 19 Ca 0.04 -1.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.04 1fne n ASN 19 Cb 0.40 0.92 0.00 0.00 -0.53 0.00 0.00 39.78 40.57 1fne n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fne n GLY 20 N 1.66 1.94 0.01 8.20 0.00 -1.26 -2.22 105.19 113.52 1fne n GLY 20 Ca 0.04 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1fne n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fne n THR 21 N 0.00 0.06 -0.31 2.61 -2.24 -1.26 -3.94 114.28 109.21 1fne n THR 21 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1fne n THR 21 Cb 0.00 -0.51 0.13 0.00 -2.10 0.00 0.00 70.33 67.86 1fne n THR 21 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1fne h GLN 22 N 0.00 0.96 -3.50 -0.78 1.08 -1.88 -3.39 115.11 107.59 1fne h GLN 22 Ca 0.00 -0.06 -0.46 0.00 -1.45 0.00 0.00 58.65 56.68 1fne h GLN 22 Cb 0.52 -0.22 -0.39 0.00 -0.05 0.00 0.00 27.48 27.35 1fne h GLN 22 CO 0.00 0.63 -0.76 1.03 -0.95 0.00 0.00 178.83 178.78 1fne s ARG 23 N -6.07 0.47 0.00 1.46 0.52 -1.25 -5.01 118.95 109.06 1fne s ARG 23 Ca -0.13 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 1fne s ARG 23 Cb 0.18 -1.47 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 1fne s ARG 23 CO 0.79 -0.49 -0.09 0.08 0.02 0.00 0.00 175.30 175.61 1fne s VAL 24 N 1.98 0.71 -0.06 3.52 1.01 -1.26 -1.21 120.40 125.09 1fne s VAL 24 Ca 0.02 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1fne s VAL 24 Cb -0.15 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1fne s VAL 24 CO -0.07 0.14 -0.14 -0.60 0.00 0.00 0.00 175.10 174.43 1fne s ARG 25 N -0.38 1.71 -0.17 2.72 3.52 -0.25 -4.98 118.95 121.13 1fne s ARG 25 Ca 0.02 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.06 1fne s ARG 25 Cb -0.04 -1.44 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 1fne s ARG 25 CO -0.00 0.11 0.08 -1.17 -0.81 0.00 0.00 175.30 173.51 1fne s LEU 26 N 0.40 3.97 -0.23 -0.88 2.96 -1.26 -0.09 118.68 123.56 1fne s LEU 26 Ca -0.10 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1fne s LEU 26 Cb -0.14 -2.00 0.07 0.00 0.50 0.00 0.00 46.19 44.62 1fne s LEU 26 CO 0.03 0.22 0.05 -0.22 -1.32 0.00 0.00 176.35 175.11 1fne s LEU 27 N 0.12 1.44 -0.14 -0.68 2.96 0.41 -0.68 118.68 122.10 1fne s LEU 27 Ca 0.06 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.81 1fne s LEU 27 Cb -0.12 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 1fne s LEU 27 CO 0.00 -0.33 0.28 -0.69 -1.32 0.00 0.00 176.35 174.29 1fne s VAL 28 N 1.80 5.30 -0.10 1.68 1.01 0.45 -0.16 120.40 130.38 1fne s VAL 28 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1fne s VAL 28 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1fne s VAL 28 CO -0.13 0.43 -0.08 -0.13 0.00 0.00 0.00 175.10 175.19 1fne s ARG 29 N 0.17 1.49 -0.13 2.72 0.52 0.38 -0.92 118.95 123.18 1fne s ARG 29 Ca 0.16 -0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1fne s ARG 29 Cb -0.13 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 1fne s ARG 29 CO 0.04 -0.19 0.06 0.71 0.02 0.00 0.00 175.30 175.94 1fne s TYR 30 N 1.44 3.31 0.01 -0.53 1.51 -0.56 -0.77 117.35 121.76 1fne s TYR 30 Ca -0.00 0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 1fne s TYR 30 Cb -0.13 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1fne s TYR 30 CO -0.05 0.43 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.62 1fne s PHE 31 N -0.49 1.21 -0.22 2.71 0.40 0.17 -0.98 117.98 120.78 1fne s PHE 31 Ca 0.10 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1fne s PHE 31 Cb -0.12 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.71 1fne s PHE 31 CO 0.02 0.00 -0.07 -0.47 0.70 0.00 0.00 175.22 175.40 1fne s TYR 32 N -0.54 2.36 0.00 0.36 5.04 -0.41 -1.08 117.35 123.08 1fne s TYR 32 Ca 0.04 -1.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 1fne s TYR 32 Cb -0.06 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.66 1fne s TYR 32 CO 0.00 -0.75 0.00 0.09 -1.34 0.00 0.00 175.55 173.55 1fne n ASN 33 N 4.69 0.00 -0.89 4.32 3.02 -0.36 -1.82 115.26 124.22 1fne n ASN 33 Ca -0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1fne n ASN 33 Cb 0.45 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.89 1fne n ASN 33 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fne n LEU 34 N 0.00 2.71 -4.30 3.41 4.77 -1.26 -4.93 117.00 117.40 1fne n LEU 34 Ca 0.00 -1.09 -0.34 0.00 -0.03 0.00 0.00 56.01 54.55 1fne n LEU 34 Cb 0.00 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1fne n LEU 34 CO 0.00 0.55 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.48 1fne s GLU 35 N -1.71 3.32 -0.09 3.23 2.12 -0.76 -5.07 118.70 119.74 1fne s GLU 35 Ca 0.35 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 1fne s GLU 35 Cb 0.21 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 1fne s GLU 35 CO 0.30 -0.08 1.28 -2.00 -0.54 0.00 0.00 175.26 174.22 1fne s GLU 36 N 1.12 4.28 0.00 4.30 2.12 -1.26 -1.28 118.70 127.98 1fne s GLU 36 Ca 0.01 1.74 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1fne s GLU 36 Cb -0.14 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1fne s GLU 36 CO -0.02 -0.59 0.00 0.27 -0.54 0.00 0.00 175.26 174.38 1fne n ASN 37 N 5.89 1.10 -3.79 -1.70 0.23 -0.16 -4.32 115.26 112.50 1fne n ASN 37 Ca 0.13 -0.32 -0.13 0.00 -0.53 0.00 0.00 54.58 53.73 1fne n ASN 37 Cb 0.45 0.86 -0.09 0.00 -2.08 0.00 0.00 39.78 38.92 1fne n ASN 37 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1fne s LEU 38 N -1.95 1.04 -0.04 -4.53 2.96 -1.22 -0.61 118.68 114.33 1fne s LEU 38 Ca 0.00 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 1fne s LEU 38 Cb 0.00 1.08 0.01 0.00 0.50 0.00 0.00 46.19 47.78 1fne s LEU 38 CO 0.00 -0.38 0.20 -0.60 -1.32 0.00 0.00 176.35 174.25 1fne s ARG 39 N -1.16 0.40 -0.24 1.98 3.52 -0.34 -1.50 118.95 121.61 1fne s ARG 39 Ca -0.12 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1fne s ARG 39 Cb -0.05 0.18 0.07 0.00 -1.56 0.00 0.00 34.95 33.58 1fne s ARG 39 CO 0.03 -0.08 -0.01 0.12 -0.81 0.00 0.00 175.30 174.55 1fne s PHE 40 N -0.66 2.10 -0.29 5.12 2.19 -0.10 -0.36 117.98 125.99 1fne s PHE 40 Ca -0.08 -1.65 -0.10 0.00 0.33 0.00 0.00 56.93 55.44 1fne s PHE 40 Cb -0.04 -1.57 -0.03 0.00 -1.31 0.00 0.00 43.02 40.07 1fne s PHE 40 CO 0.01 -0.77 0.15 0.34 1.83 0.00 0.00 175.22 176.78 1fne s ASP 41 N 1.49 5.61 0.60 6.13 -1.08 -1.26 -0.41 116.67 127.74 1fne s ASP 41 Ca -0.02 -0.28 0.29 0.00 -0.52 0.00 0.00 52.55 52.02 1fne s ASP 41 Cb -0.18 -2.02 1.63 0.00 -1.46 0.00 0.00 42.92 40.88 1fne s ASP 41 CO -0.09 -0.11 2.03 0.77 0.52 0.00 0.00 175.17 178.28 1fne h SER 42 N 8.34 0.00 1.43 -0.34 4.64 -1.28 0.27 113.55 126.61 1fne h SER 42 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1fne h SER 42 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1fne h SER 42 CO 0.59 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.99 1fne h ASP 43 N 0.00 0.00 0.03 4.97 3.32 -1.94 -3.21 116.42 119.59 1fne h ASP 43 Ca 0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.92 1fne h ASP 43 Cb 0.70 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1fne h ASP 43 CO -0.00 0.00 -1.33 0.58 -1.72 0.00 0.00 179.24 176.77 1fne h VAL 44 N 0.00 0.93 0.00 -1.35 2.07 -0.90 -3.49 116.25 113.51 1fne h VAL 44 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1fne h VAL 44 Cb 0.71 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1fne h VAL 44 CO 0.00 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.66 1fne n GLY 45 N 1.56 0.74 3.28 2.17 0.00 -0.73 -5.04 105.19 107.17 1fne n GLY 45 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1fne n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fne s GLU 46 N -0.62 1.03 0.41 1.61 2.02 -1.26 -4.92 118.70 116.96 1fne s GLU 46 Ca 0.00 -1.06 -0.23 0.00 0.02 0.00 0.00 54.97 53.70 1fne s GLU 46 Cb 0.00 0.37 -0.10 0.00 0.10 0.00 0.00 34.13 34.50 1fne s GLU 46 CO 0.00 -0.36 0.99 -0.06 0.02 0.00 0.00 175.26 175.85 1fne s PHE 47 N -3.91 3.32 -0.04 1.61 0.40 -1.26 -4.24 117.98 113.85 1fne s PHE 47 Ca 0.11 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 58.10 1fne s PHE 47 Cb 0.04 -2.98 0.03 0.00 0.51 0.00 0.00 43.02 40.61 1fne s PHE 47 CO -0.05 -0.32 -0.01 1.03 0.70 0.00 0.00 175.22 176.57 1fne s ARG 48 N -2.78 0.44 0.34 0.44 1.81 0.52 -4.90 118.95 114.82 1fne s ARG 48 Ca 0.59 0.04 -0.28 0.00 -1.72 0.00 0.00 55.73 54.36 1fne s ARG 48 Cb -0.16 -0.59 -0.10 0.00 -0.45 0.00 0.00 34.95 33.65 1fne s ARG 48 CO 0.20 -0.13 1.26 0.00 -0.68 0.00 0.00 175.30 175.95 1fne s ALA 49 N 1.06 3.43 -0.17 2.13 0.00 -1.26 -1.19 121.76 125.75 1fne s ALA 49 Ca -0.09 1.17 0.14 0.00 0.00 0.00 0.00 51.96 53.18 1fne s ALA 49 Cb -0.14 -3.44 -0.21 0.00 0.00 0.00 0.00 23.12 19.33 1fne s ALA 49 CO -0.01 -0.57 0.04 0.28 0.00 0.00 0.00 175.76 175.49 1fne n VAL 50 N 0.73 1.19 -4.18 0.00 0.31 0.22 -4.88 118.33 111.71 1fne n VAL 50 Ca 0.01 -0.71 -0.11 0.00 -0.01 0.00 0.00 64.34 63.52 1fne n VAL 50 Cb 0.43 -0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 32.65 1fne n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1fne s THR 51 N -2.42 0.27 0.57 2.52 -4.23 -1.13 -4.95 115.64 106.27 1fne s THR 51 Ca -0.10 -1.94 0.32 0.00 -1.18 0.00 0.00 61.69 58.79 1fne s THR 51 Cb 0.05 -2.11 0.36 0.00 1.34 0.00 0.00 72.50 72.14 1fne s THR 51 CO 0.68 -0.43 2.24 -0.33 -0.54 0.00 0.00 174.62 176.25 1fne h GLU 52 N 2.79 0.00 0.00 3.99 4.39 -1.94 -2.13 114.58 121.67 1fne h GLU 52 Ca -0.36 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 1fne h GLU 52 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1fne h GLU 52 CO 0.60 0.02 -0.12 1.25 -1.16 0.00 0.00 179.01 179.60 1fne h LEU 53 N 0.00 0.00 -1.00 1.33 5.85 -1.96 -2.72 115.31 116.81 1fne h LEU 53 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fne h LEU 53 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1fne h LEU 53 CO 0.00 0.12 -0.44 0.61 -0.34 0.00 0.00 178.44 178.39 1fne n GLY 54 N -0.73 0.02 0.30 3.75 0.00 -0.80 -4.55 105.19 103.17 1fne n GLY 54 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1fne n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fne h ARG 55 N 2.43 0.87 -0.65 1.61 2.43 -1.53 -2.10 114.38 117.44 1fne h ARG 55 Ca 0.00 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1fne h ARG 55 Cb 0.75 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1fne h ARG 55 CO 0.00 0.58 0.43 -1.35 -1.51 0.00 0.00 179.97 178.12 1fne h PRO 56 N 0.90 0.75 -0.31 0.20 0.11 -1.80 -1.35 132.00 130.50 1fne h PRO 56 Ca 0.33 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.22 1fne h PRO 56 Cb 0.10 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 1fne h PRO 56 CO -0.15 0.49 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.20 1fne h ASP 57 N 0.77 0.94 0.43 -2.05 3.32 -1.71 -0.49 116.42 117.63 1fne h ASP 57 Ca 0.26 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1fne h ASP 57 Cb 0.09 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1fne h ASP 57 CO -0.07 1.27 -0.21 0.00 -1.72 0.00 0.00 179.24 178.51 1fne h ALA 58 N 0.75 -0.57 -0.51 3.45 0.00 -0.81 0.84 119.26 122.40 1fne h ALA 58 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fne h ALA 58 Cb 1.09 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1fne h ALA 58 CO 0.11 -0.82 0.33 0.93 0.00 0.00 0.00 179.25 179.79 1fne h GLU 59 N -0.58 0.64 0.23 0.00 5.08 -1.25 0.81 114.58 119.52 1fne h GLU 59 Ca -0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1fne h GLU 59 Cb 0.44 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1fne h GLU 59 CO 0.09 0.42 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.44 1fne h ASN 60 N 0.66 -0.27 0.13 1.42 -1.24 -0.97 -2.86 115.58 112.45 1fne h ASN 60 Ca 0.20 -0.10 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 1fne h ASN 60 Cb -0.04 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1fne h ASN 60 CO -0.06 -0.06 -0.38 -0.50 -1.29 0.00 0.00 177.43 175.14 1fne h TRP 61 N -0.47 0.40 0.00 0.67 6.55 -0.74 -2.63 115.95 119.74 1fne h TRP 61 Ca -0.03 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.70 1fne h TRP 61 Cb 0.35 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1fne h TRP 61 CO -0.02 0.68 0.00 0.09 -1.05 0.00 0.00 178.44 178.14 1fne n ASN 62 N -4.04 0.51 -1.38 -3.49 3.02 0.27 -1.75 115.26 108.39 1fne n ASN 62 Ca -0.01 0.63 0.10 0.00 -0.03 0.00 0.00 54.58 55.26 1fne n ASN 62 Cb 0.47 -0.74 0.32 0.00 -0.61 0.00 0.00 39.78 39.23 1fne n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fne n SER 63 N -2.06 4.06 -3.94 6.41 3.41 -0.99 -4.68 113.62 115.83 1fne n SER 63 Ca 0.02 -2.21 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 1fne n SER 63 Cb 0.20 -0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 1fne n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fne s GLN 64 N -1.47 2.10 0.35 4.33 -0.21 -0.71 -4.98 119.66 119.06 1fne s GLN 64 Ca 0.47 -2.80 0.12 0.00 0.02 0.00 0.00 55.36 53.17 1fne s GLN 64 Cb 0.27 -3.34 0.95 0.00 1.00 0.00 0.00 33.01 31.89 1fne s GLN 64 CO 0.27 -1.15 1.75 -1.00 -2.12 0.00 0.00 175.29 173.04 1fne h PRO 65 N 6.22 0.52 -0.22 2.91 0.13 -1.83 -0.23 132.00 139.50 1fne h PRO 65 Ca -0.02 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1fne h PRO 65 Cb 0.86 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1fne h PRO 65 CO 0.70 0.34 0.08 0.93 -0.23 0.00 0.00 178.00 179.82 1fne h GLU 66 N 0.54 0.33 -0.36 0.86 4.39 -1.94 0.19 114.58 118.59 1fne h GLU 66 Ca 0.61 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 60.20 1fne h GLU 66 Cb 1.28 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1fne h GLU 66 CO -0.39 0.40 0.01 0.35 -1.16 0.00 0.00 179.01 178.22 1fne h PHE 67 N 0.19 0.68 -0.71 4.33 3.57 -1.57 -1.90 116.94 121.53 1fne h PHE 67 Ca 0.07 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1fne h PHE 67 Cb 0.19 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1fne h PHE 67 CO -0.01 0.72 0.43 -0.07 -2.23 0.00 0.00 178.31 177.15 1fne h LEU 68 N 0.45 0.68 -0.84 0.59 3.38 -0.96 -0.67 115.31 117.93 1fne h LEU 68 Ca 0.10 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1fne h LEU 68 Cb 0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1fne h LEU 68 CO 0.02 0.45 0.09 -0.33 0.09 0.00 0.00 178.44 178.76 1fne h GLU 69 N 0.81 0.96 -0.43 1.13 4.39 -0.75 -0.76 114.58 119.94 1fne h GLU 69 Ca 0.30 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1fne h GLU 69 Cb 0.10 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1fne h GLU 69 CO -0.14 0.89 0.14 0.37 -1.16 0.00 0.00 179.01 179.11 1fne h GLN 70 N 0.91 0.66 -0.24 2.33 4.15 -0.63 -1.87 115.11 120.42 1fne h GLN 70 Ca 0.18 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1fne h GLN 70 Cb 0.40 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1fne h GLN 70 CO 0.01 0.64 0.05 0.87 -1.93 0.00 0.00 178.83 178.47 1fne h LYS 71 N 0.55 0.39 -0.49 1.69 1.79 -0.91 -2.69 116.57 116.90 1fne h LYS 71 Ca 0.14 -0.10 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1fne h LYS 71 Cb 0.25 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1fne h LYS 71 CO -0.01 0.50 0.33 0.00 -1.08 0.00 0.00 179.45 179.19 1fne h ARG 72 N 0.21 0.41 0.00 3.15 3.08 -1.08 -1.79 114.38 118.36 1fne h ARG 72 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1fne h ARG 72 Cb 0.29 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1fne h ARG 72 CO 0.00 0.27 -0.03 0.00 -1.07 0.00 0.00 179.97 179.14 1fne h ALA 73 N 1.74 0.98 0.00 0.04 0.00 -1.10 -3.34 119.26 117.58 1fne h ALA 73 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1fne h ALA 73 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fne h ALA 73 CO -0.05 0.00 -0.06 0.93 0.00 0.00 0.00 179.25 180.06 1fne h GLU 74 N 0.00 0.00 -0.04 0.00 5.08 -1.00 0.22 114.58 118.85 1fne h GLU 74 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1fne h GLU 74 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1fne h GLU 74 CO 0.00 0.06 0.06 0.28 -1.00 0.00 0.00 179.01 178.41 1fne h VAL 75 N 0.00 0.34 0.00 3.13 2.07 -1.73 0.10 116.25 120.17 1fne h VAL 75 Ca -0.00 0.00 -0.44 0.00 0.82 0.00 0.00 66.70 67.08 1fne h VAL 75 Cb 0.17 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1fne h VAL 75 CO 0.01 0.00 -2.51 0.47 0.02 0.00 0.00 177.57 175.56 1fne n ASP 76 N -3.58 1.95 0.15 0.57 8.00 0.59 -1.90 116.55 122.32 1fne n ASP 76 Ca -0.02 0.22 0.13 0.00 0.71 0.00 0.00 54.79 55.83 1fne n ASP 76 Cb 0.14 -0.71 0.41 0.00 -0.02 0.00 0.00 41.12 40.94 1fne n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1fne h THR 77 N -0.75 0.00 0.00 -3.53 1.35 -0.92 -2.87 112.91 106.19 1fne h THR 77 Ca -0.67 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1fne h THR 77 Cb 1.67 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1fne h THR 77 CO -0.34 0.00 -0.04 0.52 -0.25 0.00 0.00 175.52 175.40 1fne n VAL 78 N -2.49 1.11 0.10 6.82 0.31 0.28 -4.53 118.33 119.92 1fne n VAL 78 Ca 0.04 0.35 -0.05 0.00 -0.01 0.00 0.00 64.34 64.67 1fne n VAL 78 Cb 0.39 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 1fne n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fne h ARG 80 N -0.30 0.85 0.18 0.00 3.08 -1.49 -1.08 114.38 115.62 1fne h ARG 80 Ca -0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1fne h ARG 80 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1fne h ARG 80 CO 0.01 0.61 -0.09 1.25 -1.07 0.00 0.00 179.97 180.69 1fne h HIS 81 N 0.86 -0.22 -0.09 3.04 2.76 -1.44 -2.90 115.15 117.16 1fne h HIS 81 Ca 0.22 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1fne h HIS 81 Cb -0.00 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1fne h HIS 81 CO 0.00 -0.10 -0.47 -0.91 -1.30 0.00 0.00 177.93 175.16 1fne h ASN 82 N -0.29 0.23 -0.25 3.26 2.35 -0.47 -3.17 115.58 117.25 1fne h ASN 82 Ca -0.02 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1fne h ASN 82 Cb 0.23 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1fne h ASN 82 CO 0.04 0.67 0.13 0.22 -1.65 0.00 0.00 177.43 176.85 1fne h TYR 83 N 0.18 0.25 -0.85 1.19 3.20 -1.15 0.25 116.97 120.04 1fne h TYR 83 Ca 0.01 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.03 1fne h TYR 83 Cb 0.90 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 1fne h TYR 83 CO 0.01 0.15 0.55 0.93 -1.64 0.00 0.00 178.16 178.16 1fne h GLU 84 N 0.28 0.59 0.11 1.82 5.08 -1.49 1.18 114.58 122.16 1fne h GLU 84 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1fne h GLU 84 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1fne h GLU 84 CO -0.05 0.39 -0.05 0.82 -1.00 0.00 0.00 179.01 179.12 1fne h ILE 85 N 0.61 1.10 0.00 3.13 2.04 -1.31 -3.25 117.51 119.83 1fne h ILE 85 Ca 0.42 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1fne h ILE 85 Cb 0.75 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1fne h ILE 85 CO -0.18 0.26 -0.18 -0.26 0.00 0.00 0.00 178.15 177.79 1fne h PHE 86 N -0.70 0.00 0.00 1.37 0.04 0.05 -2.24 116.94 115.45 1fne h PHE 86 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1fne h PHE 86 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1fne h PHE 86 CO 0.09 0.18 0.00 0.22 -0.60 0.00 0.00 178.31 178.21 1fne h ASP 87 N 0.00 0.00 1.77 2.17 3.58 0.14 0.21 116.42 124.28 1fne h ASP 87 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1fne h ASP 87 Cb 0.49 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1fne h ASP 87 CO 0.02 0.00 -0.23 0.78 -2.88 0.00 0.00 179.24 176.93 1fne h ASN 88 N 0.00 0.00 0.00 2.28 2.35 -1.51 -3.39 115.58 115.31 1fne h ASN 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fne h ASN 88 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1fne h ASN 88 CO 0.00 0.01 0.00 2.22 -1.65 0.00 0.00 177.43 178.01 1fne n PHE 89 N -3.01 0.00 -0.11 1.19 -1.74 -0.59 -4.84 117.46 108.37 1fne n PHE 89 Ca 0.03 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.71 1fne n PHE 89 Cb 0.54 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.43 1fne n PHE 89 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1fne n LEU 90 N -0.21 1.86 -0.33 5.98 4.77 0.62 -3.48 117.00 126.21 1fne n LEU 90 Ca 0.00 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 1fne n LEU 90 Cb 0.00 -0.95 0.22 0.00 -2.33 0.00 0.00 43.42 40.35 1fne n LEU 90 CO 0.00 0.26 1.19 0.58 -1.33 0.00 0.00 177.39 178.09 1fne h VAL 91 N -1.00 0.90 -0.01 4.08 2.07 -1.70 -1.93 116.25 118.66 1fne h VAL 91 Ca -0.35 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1fne h VAL 91 Cb 1.29 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1fne h VAL 91 CO -0.21 0.16 -0.02 -0.81 0.02 0.00 0.00 177.57 176.71 1fne n PRO 92 N -4.68 1.34 -1.64 1.57 -0.04 -1.26 -4.93 135.00 125.35 1fne n PRO 92 Ca 0.17 -0.58 -0.48 0.00 -0.04 0.00 0.00 63.50 62.57 1fne n PRO 92 Cb 0.34 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1fne n PRO 92 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1fne n ARG 93 N -0.32 1.78 -3.69 0.54 0.63 -0.73 -4.98 116.66 109.89 1fne n ARG 93 Ca 0.20 0.64 -0.16 0.00 -0.92 0.00 0.00 57.85 57.60 1fne n ARG 93 Cb 0.27 -2.35 -0.16 0.00 0.45 0.00 0.00 32.46 30.67 1fne n ARG 93 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1fne s ARG 94 N 0.62 0.02 -0.12 -0.14 1.81 -1.26 -4.29 118.95 115.58 1fne s ARG 94 Ca 0.80 0.45 -0.00 0.00 -1.72 0.00 0.00 55.73 55.26 1fne s ARG 94 Cb -0.77 -0.29 0.03 0.00 -0.45 0.00 0.00 34.95 33.46 1fne s ARG 94 CO 0.42 -0.27 -0.09 0.08 -0.68 0.00 0.00 175.30 174.77 1fne s VAL 95 N 1.91 1.14 0.29 3.52 1.01 -0.25 -4.95 120.40 123.06 1fne s VAL 95 Ca -0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1fne s VAL 95 Cb -0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 1fne s VAL 95 CO -0.05 0.37 1.23 -1.61 0.00 0.00 0.00 175.10 175.03 1fne s GLU 96 N 1.66 4.47 0.62 2.72 2.02 -1.26 -1.98 118.70 126.95 1fne s GLU 96 Ca 0.05 2.03 -0.12 0.00 0.02 0.00 0.00 54.97 56.94 1fne s GLU 96 Cb -0.13 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1fne s GLU 96 CO -0.09 -0.04 1.03 -1.25 0.02 0.00 0.00 175.26 174.93 1fne s PRO 97 N -1.38 3.48 -0.27 0.39 0.04 -1.26 -4.59 135.00 131.40 1fne s PRO 97 Ca 0.48 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1fne s PRO 97 Cb -0.36 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1fne s PRO 97 CO 0.46 -0.67 0.07 0.99 0.04 0.00 0.00 177.00 177.89 1fne s THR 98 N -3.02 4.10 -0.14 1.26 2.01 -0.34 -4.93 115.64 114.57 1fne s THR 98 Ca 0.57 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 1fne s THR 98 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1fne s THR 98 CO 0.50 0.24 0.06 -0.69 -0.69 0.00 0.00 174.62 174.04 1fne s VAL 99 N 1.56 4.82 -0.13 3.82 1.01 -1.26 -1.71 120.40 128.52 1fne s VAL 99 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1fne s VAL 99 Cb -0.16 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1fne s VAL 99 CO 0.03 0.54 0.33 -0.89 0.00 0.00 0.00 175.10 175.11 1fne s THR 100 N -0.31 -0.00 -0.00 3.92 2.01 -0.08 -5.00 115.64 116.16 1fne s THR 100 Ca 0.09 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.16 1fne s THR 100 Cb -0.12 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1fne s THR 100 CO 0.02 0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.09 1fne s VAL 101 N 0.35 2.85 -0.21 3.82 1.01 -1.26 0.28 120.40 127.24 1fne s VAL 101 Ca -0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 1fne s VAL 101 Cb -0.03 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.32 1fne s VAL 101 CO -0.01 0.47 0.98 -0.72 0.00 0.00 0.00 175.10 175.82 1fne s TYR 102 N -0.81 -0.45 0.69 5.22 -0.85 -0.33 -4.99 117.35 115.82 1fne s TYR 102 Ca 0.13 0.94 -0.11 0.00 -0.52 0.00 0.00 57.07 57.51 1fne s TYR 102 Cb -0.10 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.64 1fne s TYR 102 CO 0.03 -0.31 1.06 -1.25 -1.52 0.00 0.00 175.55 173.55 1fne s PRO 103 N -0.48 2.99 -0.29 -3.49 0.04 -1.26 -0.58 135.00 131.94 1fne s PRO 103 Ca -0.00 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1fne s PRO 103 Cb -0.03 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.63 1fne s PRO 103 CO -0.01 -1.05 0.64 0.99 0.04 0.00 0.00 177.00 177.61 1fne s THR 104 N -3.03 -0.66 0.00 1.26 2.01 -0.53 -4.86 115.64 109.83 1fne s THR 104 Ca 0.58 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1fne s THR 104 Cb -0.14 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1fne s THR 104 CO 0.54 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.77 1fne n LYS 105 N 5.08 0.00 -0.58 4.92 4.76 -1.26 -3.78 118.16 127.30 1fne n LYS 105 Ca -0.14 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1fne n LYS 105 Cb 0.52 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1fne n LYS 105 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1fne n THR 106 N 0.00 0.00 0.00 -0.18 -2.24 -1.26 -5.06 114.28 105.54 1fne n THR 106 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1fne n THR 106 Cb 0.00 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1fne n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fne n GLN 107 N 0.03 0.00 -2.13 -0.78 6.02 -1.26 -4.83 117.38 114.43 1fne n GLN 107 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1fne n GLN 107 Cb 0.65 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.86 1fne n GLN 107 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1fne s PRO 108 N 0.00 2.69 0.50 -1.09 0.02 -1.26 -4.75 135.00 131.11 1fne s PRO 108 Ca 0.00 -0.92 0.44 0.00 0.02 0.00 0.00 61.00 60.54 1fne s PRO 108 Cb 0.00 -5.21 1.56 0.00 0.02 0.00 0.00 34.50 30.87 1fne s PRO 108 CO 0.00 -3.54 1.43 1.47 -0.33 0.00 0.00 177.00 176.02 1fne n LEU 109 N 13.49 0.02 0.00 -5.54 -0.00 -1.26 -4.71 117.00 119.01 1fne n LEU 109 Ca 0.43 0.95 0.00 0.00 -0.00 0.00 0.00 56.01 57.39 1fne n LEU 109 Cb 0.47 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1fne n LEU 109 CO 0.65 -0.97 0.00 -0.62 -0.00 0.00 0.00 177.39 176.46 1fne n GLU 110 N -3.85 0.00 0.00 1.47 -0.58 -1.26 -4.42 120.64 112.00 1fne n GLU 110 Ca 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 1fne n GLU 110 Cb 1.80 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.67 1fne n GLU 110 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1fne n HIS 111 N 0.00 -2.43 -1.55 -0.32 1.44 -1.26 -4.92 115.22 106.18 1fne n HIS 111 Ca 0.00 0.00 -0.49 0.00 -2.01 0.00 0.00 57.72 55.22 1fne n HIS 111 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1fne n HIS 111 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1fne n HIS 112 N -1.52 1.00 -2.20 -1.40 1.44 -1.26 -4.96 115.22 106.31 1fne n HIS 112 Ca 0.00 0.76 -0.27 0.00 -2.01 0.00 0.00 57.72 56.20 1fne n HIS 112 Cb 0.00 -2.22 0.05 0.00 0.12 0.00 0.00 29.99 27.94 1fne n HIS 112 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1fne s ASN 113 N -0.19 5.25 -0.08 4.39 3.84 -1.24 -4.87 114.94 122.04 1fne s ASN 113 Ca 0.72 0.72 0.00 0.00 0.21 0.00 0.00 52.86 54.51 1fne s ASN 113 Cb -0.89 -1.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1fne s ASN 113 CO 0.54 -1.34 -0.06 -0.22 -2.79 0.00 0.00 177.10 173.23 1fne s LEU 114 N -5.18 1.15 -0.15 3.21 2.96 -1.25 -1.20 118.68 118.22 1fne s LEU 114 Ca 0.57 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1fne s LEU 114 Cb -0.11 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1fne s LEU 114 CO 0.46 -0.10 0.01 -0.22 -1.32 0.00 0.00 176.35 175.19 1fne s LEU 115 N 1.43 3.54 -0.21 -0.68 2.96 0.40 -1.46 118.68 124.65 1fne s LEU 115 Ca -0.02 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1fne s LEU 115 Cb -0.13 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1fne s LEU 115 CO -0.04 0.21 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.47 1fne s VAL 116 N 0.15 3.41 -0.40 1.68 1.01 0.26 0.09 120.40 126.59 1fne s VAL 116 Ca 0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1fne s VAL 116 Cb -0.13 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1fne s VAL 116 CO 0.02 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.81 1fne s SER 118 N 1.74 6.18 -0.22 0.00 0.15 0.14 -1.09 113.70 120.60 1fne s SER 118 Ca 0.03 0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.89 1fne s SER 118 Cb -0.20 -2.16 0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1fne s SER 118 CO 0.07 -0.06 -0.08 -0.69 1.20 0.00 0.00 173.24 173.68 1fne s VAL 119 N 1.59 1.64 0.31 4.45 1.01 -0.42 -0.91 120.40 128.08 1fne s VAL 119 Ca 0.11 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1fne s VAL 119 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1fne s VAL 119 CO 0.08 0.02 0.09 -0.94 0.00 0.00 0.00 175.10 174.35 1fne s SER 120 N 1.37 1.95 -1.23 3.32 1.04 -0.69 -0.41 113.70 119.05 1fne s SER 120 Ca -0.04 -1.45 -0.02 0.00 0.48 0.00 0.00 55.95 54.93 1fne s SER 120 Cb -0.18 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1fne s SER 120 CO -0.07 -0.73 0.85 -0.67 0.98 0.00 0.00 173.24 173.60 1fne n ASP 121 N -0.73 -2.31 -4.40 7.02 4.64 -0.59 -1.20 116.55 118.98 1fne n ASP 121 Ca -0.02 -0.73 -0.20 0.00 -1.38 0.00 0.00 54.79 52.46 1fne n ASP 121 Cb 0.66 -4.60 -0.10 0.00 -1.04 0.00 0.00 41.12 36.04 1fne n ASP 121 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1fne s PHE 122 N -3.50 1.83 -0.28 -0.67 -0.71 -0.86 -4.24 117.98 109.55 1fne s PHE 122 Ca 0.07 -0.84 -0.23 0.00 -1.04 0.00 0.00 56.93 54.89 1fne s PHE 122 Cb -0.01 -1.09 0.10 0.00 -1.21 0.00 0.00 43.02 40.81 1fne s PHE 122 CO 0.77 0.10 0.90 -0.47 -1.34 0.00 0.00 175.22 175.18 1fne s TYR 123 N -3.22 -0.64 0.24 3.49 6.14 -0.84 -0.08 117.35 122.44 1fne s TYR 123 Ca 0.31 1.49 -0.04 0.00 0.64 0.00 0.00 57.07 59.47 1fne s TYR 123 Cb 0.06 0.35 0.06 0.00 0.42 0.00 0.00 41.96 42.85 1fne s TYR 123 CO 0.12 -0.31 0.26 -2.30 0.64 0.00 0.00 175.55 173.96 1fne n PRO 124 N 2.68 -0.92 0.24 4.97 -0.02 -1.26 -1.09 135.00 139.60 1fne n PRO 124 Ca -0.14 -0.41 0.13 0.00 -2.02 0.00 0.00 63.50 61.06 1fne n PRO 124 Cb 0.56 -0.32 0.52 0.00 -0.02 0.00 0.00 33.50 34.23 1fne n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fne h GLY 125 N -0.70 0.00 -6.07 -1.23 0.00 -2.00 -3.44 103.07 89.64 1fne h GLY 125 Ca -0.09 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.68 1fne h GLY 125 CO 0.06 0.00 1.26 -1.31 0.00 0.00 0.00 176.54 176.56 1fne s ASN 126 N -6.00 6.14 0.03 0.19 0.01 -1.26 -4.94 114.94 109.12 1fne s ASN 126 Ca 0.01 2.05 -0.23 0.00 -0.71 0.00 0.00 52.86 53.98 1fne s ASN 126 Cb 0.09 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 39.28 1fne s ASN 126 CO 0.60 -1.39 0.53 -0.51 -1.51 0.00 0.00 177.10 174.83 1fne s ILE 127 N 5.83 0.03 -0.10 0.60 2.07 -1.26 -4.33 121.20 124.02 1fne s ILE 127 Ca 0.85 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 1fne s ILE 127 Cb -0.33 -0.96 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1fne s ILE 127 CO 0.35 -0.12 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.54 1fne s GLU 128 N -2.23 1.76 -0.25 3.50 0.41 0.08 -4.99 118.70 116.98 1fne s GLU 128 Ca -0.06 -0.37 0.01 0.00 -0.41 0.00 0.00 54.97 54.13 1fne s GLU 128 Cb -0.01 -1.64 0.06 0.00 -1.78 0.00 0.00 34.13 30.77 1fne s GLU 128 CO 0.00 -0.15 -0.05 0.08 -0.49 0.00 0.00 175.26 174.65 1fne s VAL 129 N 1.29 1.61 -0.01 2.63 1.01 -1.26 -0.81 120.40 124.86 1fne s VAL 129 Ca -0.02 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.69 1fne s VAL 129 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1fne s VAL 129 CO -0.04 -0.15 -0.25 -0.13 0.00 0.00 0.00 175.10 174.53 1fne s ARG 130 N 1.34 2.11 0.02 2.72 0.52 0.00 -4.97 118.95 120.69 1fne s ARG 130 Ca -0.04 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1fne s ARG 130 Cb -0.19 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1fne s ARG 130 CO -0.07 0.56 0.24 -1.58 0.02 0.00 0.00 175.30 174.47 1fne s TRP 131 N -0.66 3.55 0.00 -0.53 0.52 -1.26 -0.35 118.94 120.21 1fne s TRP 131 Ca 0.11 0.46 0.03 0.00 0.02 0.00 0.00 56.10 56.72 1fne s TRP 131 Cb -0.10 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 1fne s TRP 131 CO -0.00 0.61 -0.11 -0.06 0.02 0.00 0.00 176.95 177.41 1fne s PHE 132 N -1.36 0.96 -0.48 -1.98 0.40 0.25 -0.69 117.98 115.08 1fne s PHE 132 Ca 0.29 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1fne s PHE 132 Cb -0.13 -0.61 0.13 0.00 0.51 0.00 0.00 43.02 42.92 1fne s PHE 132 CO 0.19 -0.01 0.24 0.50 0.70 0.00 0.00 175.22 176.84 1fne s ARG 133 N -0.46 1.99 -1.16 0.44 3.52 0.28 0.22 118.95 123.78 1fne s ARG 133 Ca 0.03 -2.31 -0.01 0.00 -0.13 0.00 0.00 55.73 53.30 1fne s ARG 133 Cb -0.05 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1fne s ARG 133 CO -0.00 -1.08 0.98 0.09 -0.81 0.00 0.00 175.30 174.48 1fne n ASN 134 N 3.67 -2.90 0.00 -2.12 3.02 -0.05 -1.38 115.26 115.50 1fne n ASN 134 Ca 0.04 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1fne n ASN 134 Cb 0.37 -5.11 0.00 0.00 -0.61 0.00 0.00 39.78 34.43 1fne n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fne n GLY 135 N -1.15 0.66 3.44 7.41 0.00 -1.26 -4.96 105.19 109.32 1fne n GLY 135 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1fne n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fne s LYS 136 N -0.34 2.94 -0.07 1.61 1.02 -0.48 -5.04 119.74 119.38 1fne s LYS 136 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 1fne s LYS 136 Cb 0.00 -3.95 -0.07 0.00 -0.52 0.00 0.00 37.83 33.30 1fne s LYS 136 CO 0.00 -0.77 1.97 -2.00 -0.92 0.00 0.00 175.35 173.63 1fne s GLU 137 N 1.65 3.83 -0.17 1.68 2.12 -1.26 0.10 118.70 126.64 1fne s GLU 137 Ca 0.04 2.30 -0.29 0.00 0.36 0.00 0.00 54.97 57.38 1fne s GLU 137 Cb -0.20 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 29.98 1fne s GLU 137 CO 0.09 -1.30 1.51 -1.21 -0.54 0.00 0.00 175.26 173.81 1fne s GLU 138 N 4.97 4.01 -0.03 4.30 0.41 0.14 -4.86 118.70 127.63 1fne s GLU 138 Ca 0.88 1.75 0.16 0.00 -0.41 0.00 0.00 54.97 57.36 1fne s GLU 138 Cb -0.37 -3.94 0.49 0.00 -1.78 0.00 0.00 34.13 28.52 1fne s GLU 138 CO 0.37 -1.03 1.41 1.63 -0.49 0.00 0.00 175.26 177.16 1fne n LYS 139 N 7.25 2.95 -3.87 1.61 5.02 -1.26 -4.62 118.16 125.24 1fne n LYS 139 Ca 0.17 -2.42 -0.10 0.00 -2.02 0.00 0.00 58.31 53.93 1fne n LYS 139 Cb 0.45 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 1fne n LYS 139 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fne s THR 140 N -1.24 0.11 0.00 -0.18 2.01 -1.26 -4.87 115.64 110.21 1fne s THR 140 Ca 0.37 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1fne s THR 140 Cb 0.21 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1fne s THR 140 CO 0.22 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 1fne n GLY 141 N 0.77 0.65 3.71 4.40 0.00 -1.26 -4.81 105.19 108.65 1fne n GLY 141 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1fne n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fne s ILE 142 N -2.10 4.96 -0.13 -0.61 -1.09 -1.26 -1.03 121.20 119.95 1fne s ILE 142 Ca 0.00 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 1fne s ILE 142 Cb 0.00 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1fne s ILE 142 CO 0.00 0.19 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.09 1fne s VAL 143 N 1.04 1.39 0.11 2.92 1.01 0.52 -4.98 120.40 122.41 1fne s VAL 143 Ca 0.43 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1fne s VAL 143 Cb -0.19 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1fne s VAL 143 CO 0.21 0.43 -0.09 -0.55 0.00 0.00 0.00 175.10 175.10 1fne s SER 144 N 1.48 1.46 0.06 3.32 0.15 -1.26 0.03 113.70 118.94 1fne s SER 144 Ca 0.03 -0.95 0.26 0.00 0.70 0.00 0.00 55.95 56.00 1fne s SER 144 Cb -0.13 0.03 0.75 0.00 -1.71 0.00 0.00 66.02 64.96 1fne s SER 144 CO -0.09 -0.36 1.61 0.35 1.20 0.00 0.00 173.24 175.96 1fne n THR 145 N 0.09 0.16 -3.43 6.45 -2.24 -0.88 -5.02 114.28 109.41 1fne n THR 145 Ca -0.13 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1fne n THR 145 Cb 0.60 -0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1fne n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fne n GLY 146 N 1.44 -1.99 3.67 3.38 0.00 -1.26 -4.69 105.19 105.73 1fne n GLY 146 Ca 0.05 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1fne n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fne s LEU 147 N 0.00 4.21 -0.21 0.99 2.96 -1.26 -4.48 118.68 120.89 1fne s LEU 147 Ca 0.00 1.76 -0.06 0.00 -0.22 0.00 0.00 54.13 55.61 1fne s LEU 147 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1fne s LEU 147 CO 0.00 -0.74 0.03 -0.69 -1.32 0.00 0.00 176.35 173.63 1fne s VAL 148 N 3.28 4.20 -0.25 1.68 1.01 0.31 -4.99 120.40 125.64 1fne s VAL 148 Ca 0.56 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1fne s VAL 148 Cb -0.23 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1fne s VAL 148 CO 0.17 0.40 0.47 -0.60 0.00 0.00 0.00 175.10 175.54 1fne s ARG 149 N 1.11 4.08 0.09 2.72 3.52 -1.26 -1.25 118.95 127.96 1fne s ARG 149 Ca 0.03 0.25 0.27 0.00 -0.13 0.00 0.00 55.73 56.15 1fne s ARG 149 Cb -0.14 -3.63 0.85 0.00 -1.56 0.00 0.00 34.95 30.46 1fne s ARG 149 CO 0.02 -0.28 1.71 0.09 -0.81 0.00 0.00 175.30 176.03 1fne n ASN 150 N 5.30 0.46 0.00 -2.12 3.02 -0.79 -4.93 115.26 116.21 1fne n ASN 150 Ca -0.06 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1fne n ASN 150 Cb 0.50 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1fne n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fne n GLY 151 N 1.41 1.58 1.06 7.41 0.00 -1.26 -4.89 105.19 110.49 1fne n GLY 151 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1fne n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fne n ASP 152 N 0.00 2.61 -1.30 1.61 5.75 -1.26 -4.94 116.55 119.03 1fne n ASP 152 Ca 0.00 -3.85 -0.11 0.00 -0.01 0.00 0.00 54.79 50.83 1fne n ASP 152 Cb 0.00 -0.55 -0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1fne n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1fne n TRP 153 N -1.05 -0.61 -3.96 2.11 7.02 -1.26 -5.04 117.44 114.65 1fne n TRP 153 Ca 0.29 0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.73 1fne n TRP 153 Cb 0.85 -2.56 -0.11 0.00 -2.42 0.00 0.00 31.31 27.07 1fne n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1fne s THR 154 N -2.60 0.11 0.36 -0.99 -4.23 -1.26 -4.73 115.64 102.31 1fne s THR 154 Ca 0.03 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1fne s THR 154 Cb -0.01 -0.42 -0.07 0.00 1.34 0.00 0.00 72.50 73.34 1fne s THR 154 CO 0.04 -0.52 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.23 1fne s PHE 155 N -1.69 2.30 0.14 3.99 0.08 0.89 -1.88 117.98 121.81 1fne s PHE 155 Ca -0.14 -0.70 -0.18 0.00 0.12 0.00 0.00 56.93 56.03 1fne s PHE 155 Cb -0.08 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1fne s PHE 155 CO -0.01 0.36 0.47 1.14 -0.10 0.00 0.00 175.22 177.07 1fne s GLN 156 N -3.73 1.15 -0.03 0.44 -2.07 -0.38 -1.53 119.66 113.50 1fne s GLN 156 Ca 0.34 -0.63 -0.29 0.00 -1.82 0.00 0.00 55.36 52.96 1fne s GLN 156 Cb 0.07 0.51 0.09 0.00 -1.09 0.00 0.00 33.01 32.59 1fne s GLN 156 CO 0.16 -0.47 0.76 -0.08 -1.32 0.00 0.00 175.29 174.34 1fne s THR 157 N -3.79 0.00 -0.15 3.63 -1.32 0.45 -0.53 115.64 113.93 1fne s THR 157 Ca 0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1fne s THR 157 Cb 0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1fne s THR 157 CO -0.12 0.00 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.40 1fne s LEU 158 N -1.60 1.65 -0.27 9.08 1.43 -1.26 -1.30 118.68 126.41 1fne s LEU 158 Ca -0.05 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1fne s LEU 158 Cb -0.00 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.13 1fne s LEU 158 CO 0.02 -0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.80 1fne s VAL 159 N 1.52 2.94 -0.06 -1.59 1.01 -0.25 -2.07 120.40 121.90 1fne s VAL 159 Ca 0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1fne s VAL 159 Cb -0.13 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1fne s VAL 159 CO -0.10 0.05 0.04 -0.04 0.00 0.00 0.00 175.10 175.05 1fne s MET 160 N 1.29 3.03 -0.17 2.72 -1.94 0.10 -0.75 119.30 123.59 1fne s MET 160 Ca -0.03 -0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 53.53 1fne s MET 160 Cb -0.18 -2.84 -0.01 0.00 2.01 0.00 0.00 34.83 33.81 1fne s MET 160 CO -0.03 0.69 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.38 1fne s LEU 161 N -1.21 2.66 -0.41 -0.03 2.96 0.11 -0.36 118.68 122.41 1fne s LEU 161 Ca 0.17 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 1fne s LEU 161 Cb -0.12 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.97 1fne s LEU 161 CO 0.06 0.08 0.74 -1.61 -1.32 0.00 0.00 176.35 174.30 1fne s GLU 162 N 0.85 3.52 -0.13 1.98 2.02 -0.20 -0.45 118.70 126.29 1fne s GLU 162 Ca -0.04 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 1fne s GLU 162 Cb -0.15 -3.88 0.09 0.00 0.10 0.00 0.00 34.13 30.28 1fne s GLU 162 CO 0.00 -0.97 0.79 0.95 0.02 0.00 0.00 175.26 176.06 1fne s THR 163 N 3.07 0.00 -0.53 3.63 -4.23 -0.34 -4.84 115.64 112.41 1fne s THR 163 Ca 0.28 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1fne s THR 163 Cb -0.13 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.80 1fne s THR 163 CO 0.19 0.00 0.56 -0.69 -0.54 0.00 0.00 174.62 174.14 1fne s VAL 164 N -0.77 5.03 1.00 2.29 1.01 -1.26 -3.63 120.40 124.07 1fne s VAL 164 Ca -0.06 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1fne s VAL 164 Cb -0.01 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.91 1fne s VAL 164 CO 0.05 -0.85 -0.83 -2.65 0.00 0.00 0.00 175.10 170.81 1fne n PRO 165 N 5.75 -0.08 -3.15 2.72 -0.02 -1.26 -5.06 135.00 133.90 1fne n PRO 165 Ca -0.11 -0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.40 1fne n PRO 165 Cb 0.43 -1.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.80 1fne n PRO 165 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fne s GLN 166 N -2.20 0.41 0.00 -0.52 -0.21 -1.26 -5.07 119.66 110.81 1fne s GLN 166 Ca 0.41 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.37 1fne s GLN 166 Cb -0.12 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.20 1fne s GLN 166 CO 0.77 -0.58 0.00 -1.13 -2.12 0.00 0.00 175.29 172.24 1fne n SER 167 N 5.39 0.00 -0.25 5.90 3.41 -1.26 0.16 113.62 126.97 1fne n SER 167 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.67 1fne n SER 167 Cb 0.54 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.66 1fne n SER 167 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1fne h GLY 168 N 0.00 1.03 -7.50 5.00 0.00 -2.01 -3.35 103.07 96.25 1fne h GLY 168 Ca 0.00 -0.06 -0.49 0.00 0.00 0.00 0.00 47.33 46.78 1fne h GLY 168 CO 0.00 -0.18 1.38 1.85 0.00 0.00 0.00 176.54 179.59 1fne s GLU 169 N -6.04 2.56 -0.09 4.80 2.12 0.42 -4.97 118.70 117.49 1fne s GLU 169 Ca -0.13 0.69 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 1fne s GLU 169 Cb 0.21 -4.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.13 1fne s GLU 169 CO 0.76 -2.82 0.27 0.54 -0.54 0.00 0.00 175.26 173.47 1fne s VAL 170 N 9.49 5.29 -0.05 3.70 0.11 -1.26 -4.13 120.40 133.54 1fne s VAL 170 Ca 0.71 0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 60.23 1fne s VAL 170 Cb -0.13 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1fne s VAL 170 CO 0.21 0.55 0.14 -0.31 -3.33 0.00 0.00 175.10 172.35 1fne s TYR 171 N -0.66 3.49 0.01 1.54 1.51 -1.13 -0.88 117.35 121.24 1fne s TYR 171 Ca 0.18 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.64 1fne s TYR 171 Cb -0.14 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1fne s TYR 171 CO 0.07 0.65 -0.05 0.99 -1.11 0.00 0.00 175.55 176.10 1fne s THR 172 N -1.17 0.36 -0.20 -0.71 2.01 0.13 -1.61 115.64 114.46 1fne s THR 172 Ca 0.21 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1fne s THR 172 Cb -0.12 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1fne s THR 172 CO 0.12 -0.04 -0.05 0.00 -0.69 0.00 0.00 174.62 173.96 1fne s GLN 174 N 1.10 3.45 -0.10 0.00 0.74 0.52 -1.23 119.66 124.15 1fne s GLN 174 Ca 0.01 -0.64 0.04 0.00 0.05 0.00 0.00 55.36 54.82 1fne s GLN 174 Cb -0.15 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.27 1fne s GLN 174 CO -0.00 0.23 -0.22 0.08 -0.55 0.00 0.00 175.29 174.82 1fne s VAL 175 N 0.33 1.95 -0.05 1.34 1.01 0.86 -0.82 120.40 125.03 1fne s VAL 175 Ca -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.98 1fne s VAL 175 Cb -0.15 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1fne s VAL 175 CO 0.05 0.54 -0.19 -1.61 0.00 0.00 0.00 175.10 173.88 1fne s GLU 176 N 0.41 2.03 -0.04 2.72 2.02 0.01 -0.77 118.70 125.07 1fne s GLU 176 Ca -0.18 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 53.87 1fne s GLU 176 Cb -0.18 -1.73 0.06 0.00 0.10 0.00 0.00 34.13 32.38 1fne s GLU 176 CO 0.08 0.26 0.57 -1.58 0.02 0.00 0.00 175.26 174.60 1fne s HIS 177 N 0.05 -0.52 -2.00 1.61 2.46 -1.26 -0.74 115.29 114.89 1fne s HIS 177 Ca -0.05 0.88 0.08 0.00 0.47 0.00 0.00 55.06 56.43 1fne s HIS 177 Cb -0.13 0.31 0.46 0.00 -0.13 0.00 0.00 32.58 33.09 1fne s HIS 177 CO 0.03 -0.54 0.87 -0.35 -2.47 0.00 0.00 174.74 172.28 1fne n PRO 178 N 1.07 0.33 -0.00 2.88 -0.04 -1.26 -1.67 135.00 136.31 1fne n PRO 178 Ca -0.20 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1fne n PRO 178 Cb 0.57 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 1fne n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fne n SER 179 N -0.86 0.52 -4.97 3.54 3.41 -1.26 -4.96 113.62 109.04 1fne n SER 179 Ca 0.06 -0.50 -0.22 0.00 -0.26 0.00 0.00 58.87 57.96 1fne n SER 179 Cb 0.03 1.49 0.03 0.00 -0.26 0.00 0.00 64.21 65.50 1fne n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fne s LEU 180 N -3.75 3.43 -0.17 1.04 1.43 -0.67 -4.86 118.68 115.14 1fne s LEU 180 Ca -0.00 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1fne s LEU 180 Cb 0.15 -2.96 -0.11 0.00 0.03 0.00 0.00 46.19 43.30 1fne s LEU 180 CO 0.88 -0.96 -0.15 0.35 0.23 0.00 0.00 176.35 176.70 1fne n THR 181 N -2.22 0.95 -4.31 5.49 -2.24 -1.26 -4.91 114.28 105.77 1fne n THR 181 Ca 0.06 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 1fne n THR 181 Cb 0.59 -1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 67.57 1fne n THR 181 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fne s ASP 182 N -5.65 1.77 0.90 3.42 1.01 -1.26 -5.13 116.67 111.73 1fne s ASP 182 Ca -0.22 -0.52 -0.14 0.00 0.71 0.00 0.00 52.55 52.37 1fne s ASP 182 Cb 0.06 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 1fne s ASP 182 CO 0.38 0.01 0.15 -2.65 0.21 0.00 0.00 175.17 173.27 1fne n PRO 183 N 1.65 -0.10 -4.44 8.23 -0.02 -1.26 -4.97 135.00 134.09 1fne n PRO 183 Ca -0.19 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 1fne n PRO 183 Cb 0.54 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.24 1fne n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fne s VAL 184 N -2.20 3.05 0.15 -1.45 1.01 0.05 -4.94 120.40 116.06 1fne s VAL 184 Ca 0.55 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.00 1fne s VAL 184 Cb -0.24 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1fne s VAL 184 CO 0.69 0.49 -0.26 0.42 0.00 0.00 0.00 175.10 176.45 1fne s THR 185 N 0.80 2.32 -0.10 3.92 -4.23 -1.26 -0.09 115.64 117.00 1fne s THR 185 Ca -0.04 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1fne s THR 185 Cb -0.15 -2.06 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1fne s THR 185 CO 0.01 0.03 0.21 -0.69 -0.54 0.00 0.00 174.62 173.64 1fne s VAL 186 N -1.25 -0.13 0.24 2.29 1.01 -0.37 -4.98 120.40 117.21 1fne s VAL 186 Ca 0.16 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1fne s VAL 186 Cb -0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1fne s VAL 186 CO 0.07 0.08 0.29 -1.61 0.00 0.00 0.00 175.10 173.94 1fne s GLU 187 N 1.55 3.24 0.00 2.72 2.02 -1.26 -0.81 118.70 126.17 1fne s GLU 187 Ca -0.06 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1fne s GLU 187 Cb -0.11 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1fne s GLU 187 CO -0.08 0.42 0.00 1.87 0.02 0.00 0.00 175.26 177.50