#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gf0 s ILE 2 N 0.00 5.16 0.16 1.12 1.01 -1.26 -1.04 121.20 126.34 3gf0 s ILE 2 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 3gf0 s ILE 2 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3gf0 s ILE 2 CO 0.00 0.41 1.28 -0.76 0.00 0.00 0.00 174.94 175.86 3gf0 s LEU 3 N 0.13 4.41 0.67 2.97 1.02 0.00 -5.00 118.68 122.88 3gf0 s LEU 3 Ca 0.24 2.28 0.01 0.00 0.02 0.00 0.00 54.13 56.68 3gf0 s LEU 3 Cb -0.15 -3.60 0.11 0.00 0.02 0.00 0.00 46.19 42.56 3gf0 s LEU 3 CO 0.10 -0.50 0.93 -0.94 0.02 0.00 0.00 176.35 175.96 3gf0 s SER 4 N 0.52 4.60 0.14 2.29 1.04 -1.26 -4.49 113.70 116.54 3gf0 s SER 4 Ca 0.57 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 56.35 3gf0 s SER 4 Cb -0.34 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.61 3gf0 s SER 4 CO 0.35 -1.68 1.44 -0.90 0.98 0.00 0.00 173.24 173.44 3gf0 n ASP 5 N -2.67 -0.96 0.20 7.02 5.68 0.25 -1.27 116.55 124.80 3gf0 n ASP 5 Ca 0.14 1.66 0.06 0.00 -0.50 0.00 0.00 54.79 56.15 3gf0 n ASP 5 Cb 0.61 -0.24 0.43 0.00 -1.14 0.00 0.00 41.12 40.78 3gf0 n ASP 5 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gf0 h LYS 6 N 0.00 0.00 -0.63 0.11 2.10 -1.89 -0.91 116.57 115.35 3gf0 h LYS 6 Ca 0.14 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.73 3gf0 h LYS 6 Cb 0.37 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.67 3gf0 h LYS 6 CO -0.85 0.32 0.15 -0.44 -2.00 0.00 0.00 179.45 176.63 3gf0 h ASP 7 N 0.00 0.93 0.53 7.07 3.32 -1.55 -1.32 116.42 125.41 3gf0 h ASP 7 Ca -0.00 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3gf0 h ASP 7 Cb 0.68 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3gf0 h ASP 7 CO 0.04 0.91 -0.26 0.40 -1.72 0.00 0.00 179.24 178.61 3gf0 h ILE 8 N 0.94 0.46 -0.62 0.35 2.04 -0.03 -0.13 117.51 120.51 3gf0 h ILE 8 Ca 0.20 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 66.04 3gf0 h ILE 8 Cb 0.35 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 3gf0 h ILE 8 CO 0.00 0.02 0.12 0.40 0.00 0.00 0.00 178.15 178.70 3gf0 h ILE 9 N -0.81 0.60 -0.09 -0.67 2.04 -1.43 -1.05 117.51 116.11 3gf0 h ILE 9 Ca -0.07 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3gf0 h ILE 9 Cb 0.59 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3gf0 h ILE 9 CO 0.12 0.04 -0.26 0.44 0.00 0.00 0.00 178.15 178.50 3gf0 h ASP 10 N 0.25 -0.79 0.30 1.72 3.45 -0.84 -0.56 116.42 119.95 3gf0 h ASP 10 Ca 0.33 0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.85 3gf0 h ASP 10 Cb 0.51 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 3gf0 h ASP 10 CO -0.43 -0.31 -0.27 1.88 -1.57 0.00 0.00 179.24 178.53 3gf0 h TYR 11 N -0.35 0.00 0.31 4.55 -1.99 -0.44 -2.38 116.97 116.67 3gf0 h TYR 11 Ca 0.09 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 3gf0 h TYR 11 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3gf0 h TYR 11 CO -0.34 0.27 -0.15 0.28 -0.00 0.00 0.00 178.16 178.23 3gf0 h VAL 12 N 0.00 0.02 -0.88 -2.88 2.07 -0.99 0.37 116.25 113.96 3gf0 h VAL 12 Ca -0.00 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.92 3gf0 h VAL 12 Cb 0.50 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.18 3gf0 h VAL 12 CO 0.04 0.01 -0.43 0.41 0.02 0.00 0.00 177.57 177.61 3gf0 n THR 13 N -5.05 -0.53 0.74 2.57 -1.04 -0.24 0.06 114.28 110.79 3gf0 n THR 13 Ca -0.05 2.09 0.08 0.00 -2.04 0.00 0.00 64.05 64.13 3gf0 n THR 13 Cb 0.17 -2.67 0.41 0.00 -1.82 0.00 0.00 70.33 66.42 3gf0 n THR 13 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gf0 n SER 14 N -5.19 0.00 -1.61 8.00 3.41 -0.90 -4.85 113.62 112.47 3gf0 n SER 14 Ca 0.05 0.21 -0.14 0.00 -0.26 0.00 0.00 58.87 58.72 3gf0 n SER 14 Cb 0.29 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3gf0 n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gf0 n LYS 15 N -1.36 -1.14 0.06 4.33 5.02 0.11 -4.88 118.16 120.29 3gf0 n LYS 15 Ca 0.07 0.72 -0.19 0.00 -2.02 0.00 0.00 58.31 56.88 3gf0 n LYS 15 Cb 0.16 -5.01 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 3gf0 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gf0 h ARG 16 N 0.00 0.62 -5.11 1.97 3.08 -0.58 -3.42 114.38 110.94 3gf0 h ARG 16 Ca -0.34 -0.71 -0.65 0.00 0.07 0.00 0.00 59.98 58.35 3gf0 h ARG 16 Cb 1.24 0.21 -0.26 0.00 0.08 0.00 0.00 29.97 31.24 3gf0 h ARG 16 CO 0.41 1.29 -0.71 0.42 -1.07 0.00 0.00 179.97 180.31 3gf0 s ILE 17 N -3.22 3.48 -0.11 2.04 1.01 -0.12 -3.38 121.20 120.91 3gf0 s ILE 17 Ca -0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 3gf0 s ILE 17 Cb 0.07 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3gf0 s ILE 17 CO 0.91 0.45 0.27 -0.63 0.00 0.00 0.00 174.94 175.94 3gf0 s ILE 18 N 1.08 5.30 -0.27 2.92 -1.09 -0.17 -3.95 121.20 125.01 3gf0 s ILE 18 Ca 0.01 0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 3gf0 s ILE 18 Cb -0.15 -3.58 0.09 0.00 -1.58 0.00 0.00 42.46 37.25 3gf0 s ILE 18 CO -0.00 0.51 0.11 -0.63 -1.23 0.00 0.00 174.94 173.70 3gf0 s ILE 19 N -0.39 0.17 -0.20 2.92 1.01 -1.26 -0.85 121.20 122.59 3gf0 s ILE 19 Ca 0.17 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3gf0 s ILE 19 Cb -0.14 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 3gf0 s ILE 19 CO 0.06 -0.62 -0.08 -0.54 0.00 0.00 0.00 174.94 173.76 3gf0 s LYS 20 N 1.99 3.29 0.09 2.79 1.02 0.23 -1.75 119.74 127.40 3gf0 s LYS 20 Ca 0.07 -0.67 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 3gf0 s LYS 20 Cb -0.16 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 3gf0 s LYS 20 CO -0.29 -0.17 0.84 -1.25 -0.92 0.00 0.00 175.35 173.57 3gf0 s PRO 21 N 1.34 4.59 0.02 -1.68 0.04 -1.26 0.12 135.00 138.17 3gf0 s PRO 21 Ca 0.04 1.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 3gf0 s PRO 21 Cb -0.14 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3gf0 s PRO 21 CO -0.05 0.31 0.67 0.12 0.04 0.00 0.00 177.00 178.09 3gf0 s PHE 22 N -0.23 3.71 -0.04 0.56 5.36 -0.72 -4.81 117.98 121.80 3gf0 s PHE 22 Ca 0.41 1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 57.69 3gf0 s PHE 22 Cb -0.22 -2.70 0.03 0.00 -0.34 0.00 0.00 43.02 39.79 3gf0 s PHE 22 CO 0.26 0.32 0.03 1.21 -1.46 0.00 0.00 175.22 175.58 3gf0 s ASN 23 N -0.14 0.87 0.46 6.13 3.84 -1.26 -5.05 114.94 119.79 3gf0 s ASN 23 Ca 0.34 0.01 0.20 0.00 0.21 0.00 0.00 52.86 53.62 3gf0 s ASN 23 Cb -0.19 -0.22 1.12 0.00 -0.55 0.00 0.00 41.25 41.41 3gf0 s ASN 23 CO 0.20 -0.18 1.98 0.11 -2.79 0.00 0.00 177.10 176.42 3gf0 h LYS 24 N 7.91 0.00 0.00 0.43 1.57 -1.98 -0.60 116.57 123.90 3gf0 h LYS 24 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3gf0 h LYS 24 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3gf0 h LYS 24 CO 0.31 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 179.15 3gf0 n ASP 25 N -3.92 0.00 0.04 0.86 8.00 -1.26 -2.59 116.55 117.68 3gf0 n ASP 25 Ca -0.02 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.85 3gf0 n ASP 25 Cb 0.29 -0.40 0.11 0.00 -0.02 0.00 0.00 41.12 41.10 3gf0 n ASP 25 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gf0 n PHE 26 N -1.40 0.39 -1.99 1.24 3.72 -0.23 -4.83 117.46 114.37 3gf0 n PHE 26 Ca 0.07 0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 3gf0 n PHE 26 Cb 0.21 -0.53 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 3gf0 n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3gf0 s VAL 27 N -3.17 3.39 0.00 -4.37 1.01 -1.07 -1.17 120.40 115.02 3gf0 s VAL 27 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3gf0 s VAL 27 Cb 0.14 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3gf0 s VAL 27 CO 0.76 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3gf0 n GLY 28 N 4.05 5.10 0.20 4.51 0.00 -0.15 -4.99 105.19 113.91 3gf0 n GLY 28 Ca 0.16 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3gf0 n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gf0 h PRO 29 N 0.00 -0.22 -0.26 1.61 0.11 -1.97 -3.23 132.00 128.05 3gf0 h PRO 29 Ca 0.00 0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 3gf0 h PRO 29 Cb 0.00 0.05 -0.37 0.00 0.11 0.00 0.00 31.00 30.79 3gf0 h PRO 29 CO 0.00 -0.14 -1.03 0.00 -0.21 0.00 0.00 178.00 176.62 3gf0 s SER 31 N -3.04 -0.30 -0.16 0.00 1.04 -1.25 -4.49 113.70 105.49 3gf0 s SER 31 Ca 0.32 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.47 3gf0 s SER 31 Cb 0.36 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.95 3gf0 s SER 31 CO -0.09 -0.87 -0.04 -0.47 0.98 0.00 0.00 173.24 172.75 3gf0 s TYR 32 N -3.78 3.01 0.11 5.02 6.14 0.78 -0.98 117.35 127.65 3gf0 s TYR 32 Ca 0.02 -0.38 -0.30 0.00 0.64 0.00 0.00 57.07 57.06 3gf0 s TYR 32 Cb 0.01 -1.97 -0.06 0.00 0.42 0.00 0.00 41.96 40.36 3gf0 s TYR 32 CO -0.12 -0.10 1.03 -0.51 0.64 0.00 0.00 175.55 176.49 3gf0 s ASP 33 N 0.51 7.37 0.28 4.32 1.11 -0.32 0.24 116.67 130.18 3gf0 s ASP 33 Ca -0.03 1.89 0.10 0.00 0.18 0.00 0.00 52.55 54.69 3gf0 s ASP 33 Cb -0.14 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.21 3gf0 s ASP 33 CO 0.03 -0.18 -0.07 0.68 1.18 0.00 0.00 175.17 176.80 3gf0 s VAL 34 N 0.19 3.00 0.11 -1.27 -7.23 0.16 -4.92 120.40 110.44 3gf0 s VAL 34 Ca 0.50 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.66 3gf0 s VAL 34 Cb -0.25 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 3gf0 s VAL 34 CO 0.31 -0.36 -0.23 0.42 -0.31 0.00 0.00 175.10 174.93 3gf0 s THR 35 N -2.41 1.91 -0.27 5.32 -4.23 -1.26 -0.59 115.64 114.11 3gf0 s THR 35 Ca 0.31 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 3gf0 s THR 35 Cb -0.05 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 3gf0 s THR 35 CO 0.18 -0.01 1.41 -0.22 -0.54 0.00 0.00 174.62 175.44 3gf0 s LEU 36 N -1.97 3.90 1.29 4.79 2.96 0.72 -0.18 118.68 130.19 3gf0 s LEU 36 Ca 0.09 1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 55.19 3gf0 s LEU 36 Cb -0.10 -3.54 0.32 0.00 0.50 0.00 0.00 46.19 43.38 3gf0 s LEU 36 CO 0.05 -1.13 0.99 -0.83 -1.32 0.00 0.00 176.35 174.11 3gf0 s GLY 37 N 3.26 1.48 0.00 7.98 0.00 0.12 -0.61 107.32 119.56 3gf0 s GLY 37 Ca 0.61 -0.53 0.24 0.00 0.00 0.00 0.00 44.72 45.04 3gf0 s GLY 37 CO 0.25 0.34 1.21 2.09 0.00 0.00 0.00 173.10 176.99 3gf0 n ASP 38 N -5.23 1.65 -4.67 1.64 5.75 -1.26 -4.68 116.55 109.75 3gf0 n ASP 38 Ca 0.08 -1.28 -0.35 0.00 -0.01 0.00 0.00 54.79 53.23 3gf0 n ASP 38 Cb 0.57 0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.99 3gf0 n ASP 38 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3gf0 s GLU 39 N -2.54 3.85 0.15 0.11 0.41 -1.26 -0.87 118.70 118.56 3gf0 s GLU 39 Ca 0.19 -0.32 0.07 0.00 -0.41 0.00 0.00 54.97 54.51 3gf0 s GLU 39 Cb 0.18 -3.19 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 3gf0 s GLU 39 CO 0.58 0.37 -0.16 -0.06 -0.49 0.00 0.00 175.26 175.50 3gf0 s PHE 40 N 0.10 1.65 0.01 1.61 0.40 0.46 -3.88 117.98 118.33 3gf0 s PHE 40 Ca 0.06 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 3gf0 s PHE 40 Cb -0.12 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 3gf0 s PHE 40 CO 0.00 0.26 -0.20 0.42 0.70 0.00 0.00 175.22 176.41 3gf0 s ILE 41 N -2.20 1.58 -0.03 0.64 1.01 0.42 -0.80 121.20 121.81 3gf0 s ILE 41 Ca 0.14 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3gf0 s ILE 41 Cb -0.05 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3gf0 s ILE 41 CO 0.05 0.35 -0.16 -0.63 0.00 0.00 0.00 174.94 174.55 3gf0 s ILE 42 N -0.58 1.34 0.30 2.92 -1.09 -0.39 -0.65 121.20 123.05 3gf0 s ILE 42 Ca 0.07 -0.68 -0.08 0.00 -2.23 0.00 0.00 60.65 57.73 3gf0 s ILE 42 Cb -0.08 -1.14 -0.06 0.00 -1.58 0.00 0.00 42.46 39.60 3gf0 s ILE 42 CO 0.00 0.39 0.62 -0.31 -1.23 0.00 0.00 174.94 174.40 3gf0 s TYR 43 N -0.06 3.45 -0.03 3.97 1.51 -1.26 -1.05 117.35 123.88 3gf0 s TYR 43 Ca -0.01 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 3gf0 s TYR 43 Cb -0.10 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 3gf0 s TYR 43 CO 0.01 0.13 0.57 -3.47 -1.11 0.00 0.00 175.55 171.69 3gf0 n ASP 44 N -0.72 1.15 -4.95 2.29 2.03 -0.15 -4.88 116.55 111.31 3gf0 n ASP 44 Ca 0.00 -1.14 -0.23 0.00 0.52 0.00 0.00 54.79 53.95 3gf0 n ASP 44 Cb 0.53 -0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 3gf0 n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3gf0 s ASP 45 N -0.15 6.19 0.35 1.67 1.01 -1.26 -4.97 116.67 119.51 3gf0 s ASP 45 Ca 0.00 0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.60 3gf0 s ASP 45 Cb 0.00 -1.84 0.64 0.00 1.01 0.00 0.00 42.92 42.73 3gf0 s ASP 45 CO 0.00 -0.34 1.94 -0.08 0.21 0.00 0.00 175.17 176.91 3gf0 h GLU 46 N 0.77 0.65 -3.55 8.23 4.81 -1.99 -3.44 114.58 120.05 3gf0 h GLU 46 Ca -0.49 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.52 3gf0 h GLU 46 Cb 1.23 -0.12 -0.20 0.00 0.63 0.00 0.00 28.75 30.29 3gf0 h GLU 46 CO 0.60 0.53 -0.48 0.14 -0.73 0.00 0.00 179.01 179.07 3gf0 s VAL 47 N -5.31 0.09 -0.61 0.32 -7.23 -1.26 -5.10 120.40 101.30 3gf0 s VAL 47 Ca -0.09 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 3gf0 s VAL 47 Cb 0.16 -0.58 0.04 0.00 0.56 0.00 0.00 36.38 36.57 3gf0 s VAL 47 CO 0.76 -0.43 1.06 -0.31 -0.31 0.00 0.00 175.10 175.88 3gf0 s TYR 48 N -1.74 2.64 -0.51 2.82 2.02 -1.26 -4.98 117.35 116.34 3gf0 s TYR 48 Ca -0.12 0.01 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 3gf0 s TYR 48 Cb -0.06 -4.31 0.11 0.00 -0.40 0.00 0.00 41.96 37.31 3gf0 s TYR 48 CO -0.00 -1.58 0.44 0.34 -1.57 0.00 0.00 175.55 173.19 3gf0 s ASP 49 N 3.15 6.07 0.00 2.29 -1.08 -1.26 -4.93 116.67 120.91 3gf0 s ASP 49 Ca 0.33 -1.71 0.08 0.00 -0.52 0.00 0.00 52.55 50.73 3gf0 s ASP 49 Cb -0.11 -2.16 0.38 0.00 -1.46 0.00 0.00 42.92 39.57 3gf0 s ASP 49 CO 0.19 -0.78 1.18 0.18 0.52 0.00 0.00 175.17 176.46 3gf0 n LEU 50 N 5.17 0.00 -1.31 -1.34 4.77 -1.26 -0.27 117.00 122.75 3gf0 n LEU 50 Ca -0.12 0.37 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3gf0 n LEU 50 Cb 0.41 -0.37 0.31 0.00 -2.33 0.00 0.00 43.42 41.44 3gf0 n LEU 50 CO 0.50 -0.27 0.76 -1.54 -1.33 0.00 0.00 177.39 175.51 3gf0 n SER 51 N -1.37 3.83 -4.43 -1.43 3.41 -1.26 -2.65 113.62 109.72 3gf0 n SER 51 Ca 0.03 -2.12 -0.22 0.00 -0.26 0.00 0.00 58.87 56.30 3gf0 n SER 51 Cb 0.08 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 3gf0 n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gf0 s LYS 52 N -1.32 1.57 0.18 4.33 1.02 0.62 -4.97 119.74 121.18 3gf0 s LYS 52 Ca 0.45 -1.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 3gf0 s LYS 52 Cb 0.25 -1.52 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 3gf0 s LYS 52 CO 0.28 0.25 1.12 -2.00 -0.92 0.00 0.00 175.35 174.08 3gf0 s GLU 53 N -3.58 4.57 -0.03 1.68 2.12 -1.26 -4.71 118.70 117.49 3gf0 s GLU 53 Ca 0.28 1.76 -0.15 0.00 0.36 0.00 0.00 54.97 57.21 3gf0 s GLU 53 Cb -0.02 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3gf0 s GLU 53 CO 0.12 0.04 0.41 -0.51 -0.54 0.00 0.00 175.26 174.78 3gf0 s LEU 54 N -0.37 4.42 0.16 2.70 1.43 -1.26 -5.06 118.68 120.70 3gf0 s LEU 54 Ca 0.50 0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 54.25 3gf0 s LEU 54 Cb -0.30 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 3gf0 s LEU 54 CO 0.35 0.26 0.76 0.20 0.23 0.00 0.00 176.35 178.15 3gf0 s ASN 55 N -0.68 7.34 0.15 2.29 0.01 -1.26 -5.02 114.94 117.77 3gf0 s ASN 55 Ca 0.23 1.60 -0.08 0.00 -0.71 0.00 0.00 52.86 53.90 3gf0 s ASN 55 Cb -0.16 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3gf0 s ASN 55 CO 0.12 0.20 0.24 -0.31 -1.51 0.00 0.00 177.10 175.84 3gf0 s TYR 56 N -1.18 0.43 0.10 2.20 1.51 -1.26 -0.98 117.35 118.17 3gf0 s TYR 56 Ca 0.36 -0.80 0.09 0.00 -1.01 0.00 0.00 57.07 55.71 3gf0 s TYR 56 Cb -0.22 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 3gf0 s TYR 56 CO 0.25 -0.67 -0.22 0.15 -1.11 0.00 0.00 175.55 173.96 3gf0 s LYS 57 N -3.96 1.73 -0.01 -0.62 1.02 -0.21 -4.91 119.74 112.78 3gf0 s LYS 57 Ca 0.16 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 54.99 3gf0 s LYS 57 Cb 0.04 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 3gf0 s LYS 57 CO -0.01 0.49 -0.02 1.03 -0.92 0.00 0.00 175.35 175.92 3gf0 s ARG 58 N -1.87 2.75 0.06 1.68 0.52 -1.26 -1.26 118.95 119.57 3gf0 s ARG 58 Ca 0.15 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 3gf0 s ARG 58 Cb -0.10 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3gf0 s ARG 58 CO 0.07 0.63 -0.14 0.96 0.02 0.00 0.00 175.30 176.84 3gf0 s ILE 59 N -1.04 1.07 -0.21 1.52 -4.36 0.02 -4.98 121.20 113.22 3gf0 s ILE 59 Ca 0.18 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.36 3gf0 s ILE 59 Cb -0.11 -1.02 0.04 0.00 1.25 0.00 0.00 42.46 42.62 3gf0 s ILE 59 CO 0.09 -0.19 -0.11 -0.75 0.24 0.00 0.00 174.94 174.22 3gf0 s LYS 60 N -1.60 2.11 0.41 0.37 2.20 -1.26 -0.40 119.74 121.57 3gf0 s LYS 60 Ca -0.02 -0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 54.56 3gf0 s LYS 60 Cb -0.09 -2.52 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 3gf0 s LYS 60 CO 0.02 -0.45 0.77 0.96 -0.36 0.00 0.00 175.35 176.30 3gf0 s ILE 61 N 1.34 4.79 -0.17 5.43 -4.36 -0.05 -5.00 121.20 123.18 3gf0 s ILE 61 Ca -0.02 0.60 -0.13 0.00 -0.26 0.00 0.00 60.65 60.83 3gf0 s ILE 61 Cb -0.17 -3.74 -0.22 0.00 1.25 0.00 0.00 42.46 39.58 3gf0 s ILE 61 CO -0.08 -0.55 0.25 0.29 0.24 0.00 0.00 174.94 175.09 3gf0 n LYS 62 N -1.38 0.67 0.03 0.37 5.02 -1.26 -4.90 118.16 116.72 3gf0 n LYS 62 Ca 0.02 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3gf0 n LYS 62 Cb 0.54 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3gf0 n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gf0 n ASN 63 N -3.91 0.20 -3.90 4.39 4.13 -1.26 -4.86 115.26 110.07 3gf0 n ASN 63 Ca -0.34 0.11 -0.09 0.00 1.68 0.00 0.00 54.58 55.94 3gf0 n ASN 63 Cb 0.89 -0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.06 3gf0 n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3gf0 s SER 64 N -5.21 -0.06 -0.02 6.41 1.04 -1.26 0.13 113.70 114.73 3gf0 s SER 64 Ca 0.00 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 3gf0 s SER 64 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3gf0 s SER 64 CO 0.00 -0.96 0.09 -0.51 0.98 0.00 0.00 173.24 172.84 3gf0 s ILE 65 N -3.94 0.03 -0.30 -1.02 2.07 -0.48 -1.71 121.20 115.85 3gf0 s ILE 65 Ca 0.15 -0.24 -0.11 0.00 -1.41 0.00 0.00 60.65 59.04 3gf0 s ILE 65 Cb 0.02 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 3gf0 s ILE 65 CO -0.00 -0.13 0.20 -0.22 -1.91 0.00 0.00 174.94 172.88 3gf0 s LEU 66 N -0.40 4.20 -0.28 8.50 2.96 -0.21 -1.49 118.68 131.95 3gf0 s LEU 66 Ca -0.05 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 3gf0 s LEU 66 Cb -0.03 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3gf0 s LEU 66 CO 0.00 -0.13 0.17 -0.69 -1.32 0.00 0.00 176.35 174.37 3gf0 s VAL 67 N 1.73 5.05 0.09 1.68 1.01 0.04 -1.51 120.40 128.49 3gf0 s VAL 67 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3gf0 s VAL 67 Cb -0.17 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3gf0 s VAL 67 CO 0.10 0.24 0.28 0.00 0.00 0.00 0.00 175.10 175.72 3gf0 s PRO 69 N -2.53 1.90 0.44 0.00 0.02 -1.26 -1.87 135.00 131.71 3gf0 s PRO 69 Ca 0.37 1.74 -0.25 0.00 0.02 0.00 0.00 61.00 62.88 3gf0 s PRO 69 Cb -0.13 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 3gf0 s PRO 69 CO 0.26 -2.02 1.26 -0.11 -0.33 0.00 0.00 177.00 176.07 3gf0 n LEU 70 N -3.02 4.14 -0.58 -5.54 7.94 -1.26 -2.52 117.00 116.16 3gf0 n LEU 70 Ca 0.13 1.08 -0.07 0.00 -1.11 0.00 0.00 56.01 56.05 3gf0 n LEU 70 Cb 0.50 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 3gf0 n LEU 70 CO 0.48 -0.70 -0.07 0.59 -1.11 0.00 0.00 177.39 176.58 3gf0 n ASN 71 N 0.05 -3.63 0.11 1.96 5.03 -1.26 -4.80 115.26 112.73 3gf0 n ASN 71 Ca 0.07 0.14 0.12 0.00 0.87 0.00 0.00 54.58 55.78 3gf0 n ASN 71 Cb 0.40 -1.95 0.47 0.00 -1.02 0.00 0.00 39.78 37.68 3gf0 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gf0 n TYR 72 N -3.01 0.73 -3.26 3.10 9.36 -1.05 -4.97 117.16 118.06 3gf0 n TYR 72 Ca -0.07 0.28 -0.25 0.00 3.32 0.00 0.00 57.90 61.18 3gf0 n TYR 72 Cb 0.29 -0.95 0.03 0.00 -0.63 0.00 0.00 39.34 38.07 3gf0 n TYR 72 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3gf0 n ASN 73 N -2.16 -6.40 -4.67 2.98 3.02 -1.26 -4.90 115.26 101.87 3gf0 n ASN 73 Ca 0.03 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 3gf0 n ASN 73 Cb 0.25 -2.82 -0.05 0.00 -0.61 0.00 0.00 39.78 36.55 3gf0 n ASN 73 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gf0 s LEU 74 N -2.28 4.16 0.31 3.41 1.43 -1.26 -5.03 118.68 119.43 3gf0 s LEU 74 Ca 0.28 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3gf0 s LEU 74 Cb -0.04 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3gf0 s LEU 74 CO 0.74 -0.33 0.44 0.42 0.23 0.00 0.00 176.35 177.85 3gf0 s THR 75 N 2.00 4.31 0.21 5.49 -4.23 -1.26 -4.97 115.64 117.20 3gf0 s THR 75 Ca 0.34 -1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.75 3gf0 s THR 75 Cb -0.16 -3.50 0.16 0.00 1.34 0.00 0.00 72.50 70.34 3gf0 s THR 75 CO 0.11 -0.20 1.75 -0.33 -0.54 0.00 0.00 174.62 175.42 3gf0 h GLU 76 N 0.97 0.43 -0.63 3.99 5.08 -1.99 -0.61 114.58 121.82 3gf0 h GLU 76 Ca -0.47 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3gf0 h GLU 76 Cb 1.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3gf0 h GLU 76 CO 0.55 0.28 0.40 1.49 -1.00 0.00 0.00 179.01 180.73 3gf0 h GLU 77 N 0.44 0.77 -0.45 2.33 4.81 -2.00 -1.50 114.58 118.99 3gf0 h GLU 77 Ca 0.32 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3gf0 h GLU 77 Cb 0.40 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3gf0 h GLU 77 CO -0.31 0.51 0.23 -0.22 -0.73 0.00 0.00 179.01 178.49 3gf0 h LYS 78 N 0.79 0.63 -0.24 1.92 1.63 -1.86 -1.08 116.57 118.37 3gf0 h LYS 78 Ca 0.25 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3gf0 h LYS 78 Cb -0.01 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3gf0 h LYS 78 CO -0.09 0.51 -0.02 0.82 -3.45 0.00 0.00 179.45 177.22 3gf0 h ILE 79 N 0.58 0.80 -0.81 2.00 2.04 -0.79 -1.13 117.51 120.20 3gf0 h ILE 79 Ca 0.16 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.06 3gf0 h ILE 79 Cb 0.08 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3gf0 h ILE 79 CO -0.02 0.01 0.49 0.78 0.00 0.00 0.00 178.15 179.41 3gf0 h ASN 80 N 0.04 0.76 0.05 1.72 2.35 -1.06 0.23 115.58 119.67 3gf0 h ASN 80 Ca 0.11 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3gf0 h ASN 80 Cb 0.16 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3gf0 h ASN 80 CO -0.21 0.48 -0.04 0.22 -1.65 0.00 0.00 177.43 176.24 3gf0 h TYR 81 N 0.89 -0.09 -0.49 1.19 3.20 -0.71 -0.99 116.97 119.97 3gf0 h TYR 81 Ca 0.36 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 3gf0 h TYR 81 Cb 0.19 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3gf0 h TYR 81 CO -0.04 -0.06 0.12 0.74 -1.64 0.00 0.00 178.16 177.28 3gf0 h PHE 82 N -0.09 0.76 -0.50 -3.82 0.04 -0.72 0.14 116.94 112.75 3gf0 h PHE 82 Ca -0.00 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.61 3gf0 h PHE 82 Cb 0.08 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3gf0 h PHE 82 CO -0.09 0.64 -0.08 0.87 -0.60 0.00 0.00 178.31 179.06 3gf0 h LYS 83 N 0.72 0.93 -0.16 1.51 1.57 -0.52 -0.63 116.57 119.98 3gf0 h LYS 83 Ca 0.16 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 3gf0 h LYS 83 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3gf0 h LYS 83 CO -0.00 0.99 -0.30 1.49 -0.57 0.00 0.00 179.45 181.06 3gf0 h GLU 84 N 0.79 0.48 -0.45 3.15 4.81 -0.78 -1.22 114.58 121.36 3gf0 h GLU 84 Ca 0.13 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 58.93 3gf0 h GLU 84 Cb 0.62 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3gf0 h GLU 84 CO 0.04 0.91 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.81 3gf0 h LYS 85 N 0.11 0.90 -0.01 1.92 3.64 -0.65 -3.32 116.57 119.16 3gf0 h LYS 85 Ca 0.01 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3gf0 h LYS 85 Cb 0.89 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3gf0 h LYS 85 CO 0.07 1.01 -0.08 0.66 -2.27 0.00 0.00 179.45 178.85 3gf0 n TYR 86 N -4.12 0.00 -3.81 1.91 4.02 -0.25 -5.03 117.16 109.88 3gf0 n TYR 86 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3gf0 n TYR 86 Cb 0.44 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.79 3gf0 n TYR 86 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gf0 n ASN 87 N 0.16 -3.05 -4.92 7.72 3.02 -0.46 -5.01 115.26 112.72 3gf0 n ASN 87 Ca 0.04 -0.80 -0.29 0.00 -0.03 0.00 0.00 54.58 53.50 3gf0 n ASN 87 Cb 0.20 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.37 3gf0 n ASN 87 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3gf0 s VAL 88 N -3.49 5.28 0.04 2.41 -7.23 -1.24 -4.81 120.40 111.36 3gf0 s VAL 88 Ca 0.34 -0.33 0.10 0.00 -1.81 0.00 0.00 61.98 60.28 3gf0 s VAL 88 Cb -0.17 -3.67 -0.16 0.00 0.56 0.00 0.00 36.38 32.94 3gf0 s VAL 88 CO 0.82 -0.00 1.23 0.44 -0.31 0.00 0.00 175.10 177.28 3gf0 h ASP 89 N 2.59 0.00 -4.99 4.85 3.45 -1.70 -3.44 116.42 117.18 3gf0 h ASP 89 Ca -0.47 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.86 3gf0 h ASP 89 Cb 1.17 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.74 3gf0 h ASP 89 CO 0.72 0.88 -0.40 -0.31 -1.57 0.00 0.00 179.24 178.56 3gf0 s TYR 90 N -2.76 -0.04 -0.10 4.55 1.51 -1.25 -5.08 117.35 114.18 3gf0 s TYR 90 Ca 0.01 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.10 3gf0 s TYR 90 Cb 0.09 0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.96 3gf0 s TYR 90 CO 0.81 -0.34 -0.18 0.08 -1.11 0.00 0.00 175.55 174.80 3gf0 s VAL 91 N -1.46 1.68 0.18 0.71 1.01 -1.26 -1.05 120.40 120.21 3gf0 s VAL 91 Ca -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3gf0 s VAL 91 Cb -0.06 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3gf0 s VAL 91 CO 0.02 0.48 0.00 0.68 0.00 0.00 0.00 175.10 176.28 3gf0 s VAL 92 N 0.73 0.71 -0.01 2.92 -7.23 -0.57 -4.98 120.40 111.95 3gf0 s VAL 92 Ca -0.11 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3gf0 s VAL 92 Cb -0.16 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3gf0 s VAL 92 CO 0.02 -0.44 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.56 3gf0 s GLU 93 N -3.91 0.96 3.79 4.82 2.12 -1.26 -0.15 118.70 125.07 3gf0 s GLU 93 Ca 0.25 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.19 3gf0 s GLU 93 Cb 0.06 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.53 3gf0 s GLU 93 CO 0.05 0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 3gf0 n GLY 94 N 2.94 0.41 3.75 -1.50 0.00 -0.78 -4.77 105.19 105.24 3gf0 n GLY 94 Ca -0.15 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3gf0 n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gf0 s GLY 95 N -0.41 2.88 -0.01 -0.02 0.00 -1.26 -4.62 107.32 103.87 3gf0 s GLY 95 Ca 0.00 0.97 -0.00 0.00 0.00 0.00 0.00 44.72 45.69 3gf0 s GLY 95 CO 0.00 1.71 0.02 0.54 0.00 0.00 0.00 173.10 175.37 3gf0 s VAL 96 N -0.67 -0.02 -0.11 1.40 0.11 -0.94 -4.70 120.40 115.47 3gf0 s VAL 96 Ca 0.49 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 3gf0 s VAL 96 Cb -0.33 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 3gf0 s VAL 96 CO 0.41 0.03 0.25 -0.76 -3.33 0.00 0.00 175.10 171.70 3gf0 s LEU 97 N 0.42 4.35 0.00 2.54 1.43 0.18 -0.71 118.68 126.89 3gf0 s LEU 97 Ca -0.03 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 3gf0 s LEU 97 Cb -0.05 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3gf0 s LEU 97 CO -0.01 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3gf0 n GLY 98 N 2.51 4.30 3.20 -3.19 0.00 0.22 -0.44 105.19 111.79 3gf0 n GLY 98 Ca -0.16 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 3gf0 n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gf0 s THR 99 N -1.30 0.11 0.59 2.61 -1.32 -1.25 -0.41 115.64 114.67 3gf0 s THR 99 Ca 0.00 -0.90 -0.12 0.00 -1.21 0.00 0.00 61.69 59.46 3gf0 s THR 99 Cb 0.00 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.93 3gf0 s THR 99 CO 0.00 -0.50 1.01 0.42 -2.21 0.00 0.00 174.62 173.34 3gf0 s THR 100 N -2.88 4.68 0.14 5.08 -4.23 -0.33 0.15 115.64 118.26 3gf0 s THR 100 Ca -0.03 0.92 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 3gf0 s THR 100 Cb 0.00 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 3gf0 s THR 100 CO -0.06 -1.04 1.47 0.78 -0.54 0.00 0.00 174.62 175.24 3gf0 h ASN 101 N -0.03 0.99 -2.88 3.99 2.35 -0.85 -3.40 115.58 115.76 3gf0 h ASN 101 Ca -0.45 -0.46 -0.53 0.00 -0.55 0.00 0.00 56.30 54.30 3gf0 h ASN 101 Cb 1.19 -0.28 0.02 0.00 0.05 0.00 0.00 38.32 39.30 3gf0 h ASN 101 CO 0.62 1.26 0.84 -1.61 -1.65 0.00 0.00 177.43 176.89 3gf0 s GLU 102 N -4.36 4.27 0.04 0.81 8.01 -1.26 -4.59 118.70 121.62 3gf0 s GLU 102 Ca -0.11 2.13 -0.13 0.00 0.01 0.00 0.00 54.97 56.86 3gf0 s GLU 102 Cb 0.11 -3.43 -0.06 0.00 -4.31 0.00 0.00 34.13 26.45 3gf0 s GLU 102 CO 0.88 -0.57 0.42 -0.47 0.01 0.00 0.00 175.26 175.54 3gf0 s TYR 103 N 1.88 3.68 0.02 1.61 5.04 0.33 -4.21 117.35 125.70 3gf0 s TYR 103 Ca 0.67 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 3gf0 s TYR 103 Cb -0.36 -2.26 -0.02 0.00 0.35 0.00 0.00 41.96 39.67 3gf0 s TYR 103 CO 0.30 0.59 -0.08 0.96 -1.34 0.00 0.00 175.55 175.97 3gf0 s ILE 104 N -1.21 0.63 -0.03 3.14 -4.36 -0.34 -0.60 121.20 118.43 3gf0 s ILE 104 Ca 0.28 -0.76 0.05 0.00 -0.26 0.00 0.00 60.65 59.96 3gf0 s ILE 104 Cb -0.16 -0.61 -0.01 0.00 1.25 0.00 0.00 42.46 42.93 3gf0 s ILE 104 CO 0.15 -0.12 -0.18 -1.61 0.24 0.00 0.00 174.94 173.43 3gf0 s GLU 105 N -0.97 1.63 -0.05 0.37 2.02 -0.03 -1.30 118.70 120.37 3gf0 s GLU 105 Ca -0.03 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3gf0 s GLU 105 Cb -0.07 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 3gf0 s GLU 105 CO 0.00 0.31 -0.16 -0.51 0.02 0.00 0.00 175.26 174.93 3gf0 s LEU 106 N -0.19 2.66 0.90 1.80 1.43 -0.56 -1.00 118.68 123.71 3gf0 s LEU 106 Ca 0.01 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3gf0 s LEU 106 Cb -0.09 -1.53 0.14 0.00 0.03 0.00 0.00 46.19 44.74 3gf0 s LEU 106 CO 0.01 0.34 1.20 -2.16 0.23 0.00 0.00 176.35 175.98 3gf0 s PRO 107 N -0.72 1.21 0.00 1.29 0.04 -1.22 -3.01 135.00 132.60 3gf0 s PRO 107 Ca 0.11 0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.19 3gf0 s PRO 107 Cb -0.11 -1.87 0.22 0.00 0.04 0.00 0.00 34.50 32.78 3gf0 s PRO 107 CO 0.00 -2.09 0.97 0.09 0.04 0.00 0.00 177.00 176.01 3gf0 n ASN 108 N -3.63 0.00 0.00 6.66 4.13 -1.26 -2.73 115.26 118.43 3gf0 n ASN 108 Ca 0.10 -1.50 0.00 0.00 1.68 0.00 0.00 54.58 54.86 3gf0 n ASN 108 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 3gf0 n ASN 108 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3gf0 n ASP 109 N -0.57 1.33 -4.24 6.41 5.75 -1.26 0.79 116.55 124.76 3gf0 n ASP 109 Ca 0.03 -1.44 -0.29 0.00 -0.01 0.00 0.00 54.79 53.08 3gf0 n ASP 109 Cb 0.01 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.94 3gf0 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gf0 s ILE 110 N -0.44 1.78 0.05 2.12 -1.09 -1.10 -0.40 121.20 122.12 3gf0 s ILE 110 Ca 0.00 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.55 3gf0 s ILE 110 Cb 0.00 -1.50 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 3gf0 s ILE 110 CO 0.00 0.50 -0.21 -0.55 -1.23 0.00 0.00 174.94 173.45 3gf0 s SER 111 N -0.34 2.53 0.21 3.58 0.15 0.06 -3.74 113.70 116.15 3gf0 s SER 111 Ca 0.04 -0.55 0.11 0.00 0.70 0.00 0.00 55.95 56.25 3gf0 s SER 111 Cb -0.10 -0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 3gf0 s SER 111 CO 0.01 0.16 -0.22 0.00 1.20 0.00 0.00 173.24 174.38 3gf0 s ALA 112 N -0.84 2.53 -0.07 5.45 0.00 -1.19 -0.39 121.76 127.25 3gf0 s ALA 112 Ca 0.08 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.37 3gf0 s ALA 112 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3gf0 s ALA 112 CO 0.02 0.37 -0.13 -1.14 0.00 0.00 0.00 175.76 174.88 3gf0 s GLN 113 N -2.90 1.87 -0.11 0.00 0.74 0.52 -0.96 119.66 118.81 3gf0 s GLN 113 Ca 0.23 -0.46 -0.18 0.00 0.05 0.00 0.00 55.36 54.99 3gf0 s GLN 113 Cb -0.07 -1.54 -0.04 0.00 1.10 0.00 0.00 33.01 32.46 3gf0 s GLN 113 CO 0.11 0.02 0.48 -0.47 -0.55 0.00 0.00 175.29 174.88 3gf0 s TYR 114 N 0.70 3.52 0.09 1.67 6.14 -1.26 -0.92 117.35 127.30 3gf0 s TYR 114 Ca -0.14 0.90 0.01 0.00 0.64 0.00 0.00 57.07 58.49 3gf0 s TYR 114 Cb -0.16 -2.55 -0.04 0.00 0.42 0.00 0.00 41.96 39.63 3gf0 s TYR 114 CO 0.03 0.18 -0.06 1.14 0.64 0.00 0.00 175.55 177.48 3gf0 s GLN 115 N 0.58 0.79 0.48 4.97 -2.07 -0.05 -4.61 119.66 119.75 3gf0 s GLN 115 Ca 0.26 -1.28 -0.13 0.00 -1.82 0.00 0.00 55.36 52.40 3gf0 s GLN 115 Cb -0.15 -0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 31.54 3gf0 s GLN 115 CO 0.11 -0.02 0.89 0.20 -1.32 0.00 0.00 175.29 175.14 3gf0 s GLY 116 N -2.92 1.93 0.45 2.60 0.00 -1.26 -0.72 107.32 107.40 3gf0 s GLY 116 Ca 0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 44.72 44.53 3gf0 s GLY 116 CO -0.05 0.18 1.22 0.50 0.00 0.00 0.00 173.10 174.95 3gf0 s ARG 117 N -4.15 3.75 0.51 2.90 0.52 -1.09 -4.77 118.95 116.62 3gf0 s ARG 117 Ca 0.55 1.91 0.32 0.00 -0.52 0.00 0.00 55.73 57.99 3gf0 s ARG 117 Cb -0.10 -2.49 1.31 0.00 0.52 0.00 0.00 34.95 34.19 3gf0 s ARG 117 CO 0.35 -0.60 1.95 1.03 0.02 0.00 0.00 175.30 178.05 3gf0 h SER 118 N 2.16 0.00 -0.12 0.23 0.87 -1.95 -1.93 113.55 112.81 3gf0 h SER 118 Ca -0.49 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 59.98 3gf0 h SER 118 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3gf0 h SER 118 CO 0.60 0.00 -0.19 0.28 -0.53 0.00 0.00 176.83 176.99 3gf0 h SER 119 N 0.00 0.52 0.04 6.23 0.02 -1.98 -0.78 113.55 117.60 3gf0 h SER 119 Ca 0.00 -0.16 -0.22 0.00 -0.84 0.00 0.00 61.79 60.57 3gf0 h SER 119 Cb 0.50 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.90 3gf0 h SER 119 CO 0.00 0.73 -0.81 -0.07 -1.14 0.00 0.00 176.83 175.54 3gf0 h LEU 120 N 0.48 0.76 -1.45 5.07 3.38 -1.67 -3.20 115.31 118.67 3gf0 h LEU 120 Ca 0.08 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3gf0 h LEU 120 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3gf0 h LEU 120 CO 0.04 1.30 -0.25 1.23 0.09 0.00 0.00 178.44 180.85 3gf0 h GLY 121 N 0.84 0.04 2.00 0.83 0.00 -1.21 0.21 103.07 105.77 3gf0 h GLY 121 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3gf0 h GLY 121 CO 0.15 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.26 3gf0 n ARG 122 N -4.23 0.16 -0.61 4.80 1.74 -0.32 -0.82 116.66 117.38 3gf0 n ARG 122 Ca -0.02 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.37 3gf0 n ARG 122 Cb 0.31 -1.72 0.33 0.00 -1.02 0.00 0.00 32.46 30.36 3gf0 n ARG 122 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3gf0 n VAL 123 N -2.01 2.21 -3.13 1.55 0.24 0.66 -4.97 118.33 112.87 3gf0 n VAL 123 Ca 0.05 -1.47 -0.22 0.00 -2.04 0.00 0.00 64.34 60.66 3gf0 n VAL 123 Cb 0.33 -0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.66 3gf0 n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3gf0 n PHE 124 N 0.39 -2.12 -3.84 6.34 3.72 -0.00 -4.69 117.46 117.26 3gf0 n PHE 124 Ca 0.24 0.62 -0.36 0.00 -0.05 0.00 0.00 57.45 57.90 3gf0 n PHE 124 Cb 0.95 -4.53 -0.13 0.00 -0.94 0.00 0.00 39.48 34.83 3gf0 n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3gf0 s LEU 125 N -6.62 3.42 -0.01 4.37 1.98 -0.85 0.39 118.68 121.35 3gf0 s LEU 125 Ca 0.36 -0.60 -0.01 0.00 -2.89 0.00 0.00 54.13 50.99 3gf0 s LEU 125 Cb -0.16 -1.80 -0.04 0.00 0.66 0.00 0.00 46.19 44.85 3gf0 s LEU 125 CO 0.45 -0.11 0.10 0.42 -1.89 0.00 0.00 176.35 175.32 3gf0 s THR 126 N 1.47 4.90 -0.41 3.68 -4.23 -0.27 -3.72 115.64 117.06 3gf0 s THR 126 Ca 0.03 -0.33 0.06 0.00 -1.18 0.00 0.00 61.69 60.28 3gf0 s THR 126 Cb -0.16 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.60 3gf0 s THR 126 CO -0.00 0.36 1.13 -1.54 -0.54 0.00 0.00 174.62 174.03 3gf0 n SER 127 N 1.19 2.49 -3.69 3.99 3.41 -1.25 -1.00 113.62 118.75 3gf0 n SER 127 Ca -0.13 -2.08 -0.10 0.00 -0.26 0.00 0.00 58.87 56.29 3gf0 n SER 127 Cb 0.53 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3gf0 n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3gf0 s HIS 128 N -1.15 -0.63 -0.94 7.33 -3.43 -1.03 -1.13 115.29 114.31 3gf0 s HIS 128 Ca 0.13 1.34 -0.07 0.00 -0.80 0.00 0.00 55.06 55.67 3gf0 s HIS 128 Cb 0.08 0.29 0.24 0.00 -1.43 0.00 0.00 32.58 31.75 3gf0 s HIS 128 CO 0.07 -0.35 0.87 -0.65 -2.00 0.00 0.00 174.74 172.69 3gf0 s GLN 129 N 1.29 3.61 -1.83 -0.38 -1.52 -1.26 -4.62 119.66 114.96 3gf0 s GLN 129 Ca -0.09 -3.05 -0.23 0.00 -1.95 0.00 0.00 55.36 50.04 3gf0 s GLN 129 Cb -0.08 -4.24 0.23 0.00 -0.22 0.00 0.00 33.01 28.71 3gf0 s GLN 129 CO -0.12 -1.25 0.58 0.25 -0.25 0.00 0.00 175.29 174.50 3gf0 n THR 130 N 2.85 0.00 0.00 -0.19 -2.24 -1.26 -4.89 114.28 108.55 3gf0 n THR 130 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3gf0 n THR 130 Cb 0.39 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3gf0 n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gf0 n ALA 131 N -3.96 0.00 0.00 6.98 0.00 -1.26 -5.02 120.51 117.25 3gf0 n ALA 131 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gf0 n ALA 131 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3gf0 n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gf0 n GLY 132 N 5.00 2.15 3.38 0.00 0.00 -1.26 -4.96 105.19 109.49 3gf0 n GLY 132 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3gf0 n GLY 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gf0 n TRP 133 N 0.00 -1.26 -4.82 1.61 -0.00 -1.26 -4.06 117.44 107.65 3gf0 n TRP 133 Ca 0.00 0.63 -0.26 0.00 -0.00 0.00 0.00 57.50 57.87 3gf0 n TRP 133 Cb 0.00 -1.89 -0.16 0.00 -0.00 0.00 0.00 31.31 29.26 3gf0 n TRP 133 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3gf0 s ILE 134 N -1.55 1.42 0.41 5.87 -1.09 -0.13 -4.92 121.20 121.20 3gf0 s ILE 134 Ca 0.62 -0.70 -0.25 0.00 -2.23 0.00 0.00 60.65 58.09 3gf0 s ILE 134 Cb -0.63 -1.22 -0.08 0.00 -1.58 0.00 0.00 42.46 38.94 3gf0 s ILE 134 CO 0.60 0.41 1.14 -1.81 -1.23 0.00 0.00 174.94 174.05 3gf0 s ASP 135 N 0.12 6.51 -0.01 3.58 1.11 -1.26 -3.17 116.67 123.56 3gf0 s ASP 135 Ca -0.06 2.27 -0.38 0.00 0.18 0.00 0.00 52.55 54.56 3gf0 s ASP 135 Cb -0.12 -2.61 -0.17 0.00 1.07 0.00 0.00 42.92 41.09 3gf0 s ASP 135 CO 0.03 -0.68 1.41 0.00 1.18 0.00 0.00 175.17 177.11 3gf0 n ALA 136 N -0.05 -1.02 0.00 5.23 0.00 -1.25 -1.70 120.51 121.71 3gf0 n ALA 136 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3gf0 n ALA 136 Cb 0.47 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3gf0 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gf0 n GLY 137 N 2.82 0.48 3.77 0.00 0.00 -1.16 -0.29 105.19 110.81 3gf0 n GLY 137 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3gf0 n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gf0 s PHE 138 N -2.00 2.88 -0.07 1.61 5.36 -0.69 -1.39 117.98 123.68 3gf0 s PHE 138 Ca 0.00 1.33 0.02 0.00 -0.96 0.00 0.00 56.93 57.32 3gf0 s PHE 138 Cb 0.00 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 38.90 3gf0 s PHE 138 CO 0.00 -2.25 -0.12 0.15 -1.46 0.00 0.00 175.22 171.55 3gf0 s LYS 139 N -1.92 1.69 0.00 10.12 1.02 -1.26 -1.50 119.74 127.88 3gf0 s LYS 139 Ca 0.51 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.10 3gf0 s LYS 139 Cb -0.42 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3gf0 s LYS 139 CO 0.56 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 3gf0 n GLY 140 N 4.00 1.83 3.81 -3.33 0.00 -0.42 0.13 105.19 111.21 3gf0 n GLY 140 Ca -0.21 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 3gf0 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gf0 s LYS 141 N -1.96 1.36 -0.19 1.61 1.02 -1.02 -1.19 119.74 119.36 3gf0 s LYS 141 Ca 0.00 0.28 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 3gf0 s LYS 141 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 3gf0 s LYS 141 CO 0.00 -2.05 0.08 0.42 -0.92 0.00 0.00 175.35 172.88 3gf0 s ILE 142 N -3.32 4.86 -0.10 2.17 1.01 -1.26 -4.72 121.20 119.84 3gf0 s ILE 142 Ca 0.63 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 3gf0 s ILE 142 Cb -0.14 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3gf0 s ILE 142 CO 0.53 0.44 0.97 -0.89 0.00 0.00 0.00 174.94 175.98 3gf0 s THR 143 N 0.53 4.82 0.15 2.92 2.01 -1.26 -1.19 115.64 123.62 3gf0 s THR 143 Ca 0.04 1.97 -0.09 0.00 0.31 0.00 0.00 61.69 63.91 3gf0 s THR 143 Cb -0.13 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.04 3gf0 s THR 143 CO 0.01 0.03 0.47 -0.76 -0.69 0.00 0.00 174.62 173.68 3gf0 s LEU 144 N 1.87 4.27 -0.36 4.42 1.43 0.45 -4.93 118.68 125.83 3gf0 s LEU 144 Ca 0.47 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3gf0 s LEU 144 Cb -0.18 -3.33 0.10 0.00 0.03 0.00 0.00 46.19 42.81 3gf0 s LEU 144 CO 0.18 0.05 0.10 -1.10 0.23 0.00 0.00 176.35 175.82 3gf0 s GLN 145 N -2.38 1.71 -0.20 1.70 1.11 -0.28 -0.61 119.66 120.70 3gf0 s GLN 145 Ca 0.40 -1.83 -0.08 0.00 0.01 0.00 0.00 55.36 53.86 3gf0 s GLN 145 Cb -0.13 -3.34 -0.04 0.00 -1.01 0.00 0.00 33.01 28.49 3gf0 s GLN 145 CO 0.21 -0.97 0.08 0.42 0.01 0.00 0.00 175.29 175.04 3gf0 s ILE 146 N 1.00 4.87 -0.03 1.08 1.01 0.11 -2.47 121.20 126.78 3gf0 s ILE 146 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 3gf0 s ILE 146 Cb -0.20 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.06 3gf0 s ILE 146 CO -0.06 0.43 0.08 -0.69 0.00 0.00 0.00 174.94 174.69 3gf0 s VAL 147 N 0.60 -0.01 -0.08 2.92 1.01 -0.17 -2.21 120.40 122.47 3gf0 s VAL 147 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3gf0 s VAL 147 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3gf0 s VAL 147 CO 0.01 0.01 0.11 0.00 0.00 0.00 0.00 175.10 175.23 3gf0 s ALA 148 N 0.21 3.71 0.00 5.51 0.00 -1.26 -1.12 121.76 128.81 3gf0 s ALA 148 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3gf0 s ALA 148 Cb -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3gf0 s ALA 148 CO -0.01 0.64 0.44 1.19 0.00 0.00 0.00 175.76 178.03 3gf0 n PHE 149 N 1.77 0.00 0.05 0.00 3.72 0.16 -4.01 117.46 119.16 3gf0 n PHE 149 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3gf0 n PHE 149 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3gf0 n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gf0 n ASP 150 N -0.11 0.37 -4.22 4.37 2.03 -1.26 -5.03 116.55 112.69 3gf0 n ASP 150 Ca 0.00 0.17 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 3gf0 n ASP 150 Cb 0.00 -0.03 -0.10 0.00 -0.72 0.00 0.00 41.12 40.27 3gf0 n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3gf0 s LYS 151 N -1.60 1.11 0.52 -0.67 -0.14 -1.26 -4.89 119.74 112.81 3gf0 s LYS 151 Ca 0.00 -1.55 -0.21 0.00 -1.36 0.00 0.00 55.97 52.84 3gf0 s LYS 151 Cb 0.00 -0.08 -0.07 0.00 -1.68 0.00 0.00 37.83 36.00 3gf0 s LYS 151 CO 0.00 -0.21 1.06 -2.30 -0.76 0.00 0.00 175.35 173.14 3gf0 n PRO 152 N -0.24 1.25 -4.69 -1.68 -0.02 -1.26 -4.63 135.00 123.73 3gf0 n PRO 152 Ca -0.04 0.46 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 3gf0 n PRO 152 Cb 0.64 -2.21 -0.16 0.00 -0.02 0.00 0.00 33.50 31.76 3gf0 n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gf0 s VAL 153 N -1.38 1.20 -0.21 -1.45 1.01 -0.12 -4.92 120.40 114.53 3gf0 s VAL 153 Ca 0.70 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3gf0 s VAL 153 Cb -0.47 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3gf0 s VAL 153 CO 0.51 0.35 0.49 -0.63 0.00 0.00 0.00 175.10 175.82 3gf0 s ILE 154 N -0.09 5.12 -0.01 2.22 1.01 -1.26 -0.78 121.20 127.41 3gf0 s ILE 154 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.53 3gf0 s ILE 154 Cb -0.09 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3gf0 s ILE 154 CO 0.01 0.17 0.04 -0.76 0.00 0.00 0.00 174.94 174.40 3gf0 s LEU 155 N 1.71 3.72 -0.04 2.97 1.43 -0.56 -4.95 118.68 122.95 3gf0 s LEU 155 Ca 0.22 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gf0 s LEU 155 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3gf0 s LEU 155 CO 0.09 0.29 -0.07 -0.31 0.23 0.00 0.00 176.35 176.58 3gf0 s TYR 156 N -1.12 2.91 0.23 0.29 2.02 -1.26 -1.38 117.35 119.05 3gf0 s TYR 156 Ca 0.20 -0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.61 3gf0 s TYR 156 Cb -0.12 -1.67 -0.16 0.00 -0.40 0.00 0.00 41.96 39.62 3gf0 s TYR 156 CO 0.11 0.34 0.85 1.17 -1.57 0.00 0.00 175.55 176.46 3gf0 n LYS 157 N 1.98 0.78 -0.80 -0.62 4.81 0.12 -2.16 118.16 122.28 3gf0 n LYS 157 Ca -0.17 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3gf0 n LYS 157 Cb 0.53 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3gf0 n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3gf0 n ASN 158 N 1.62 -1.95 -4.74 3.14 3.02 0.22 -4.97 115.26 111.60 3gf0 n ASN 158 Ca 0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 3gf0 n ASN 158 Cb 0.28 -1.98 0.10 0.00 -0.61 0.00 0.00 39.78 37.56 3gf0 n ASN 158 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gf0 s GLN 159 N -0.92 2.08 -0.02 3.52 -2.07 -0.92 -4.48 119.66 116.85 3gf0 s GLN 159 Ca 0.00 1.46 -0.30 0.00 -1.82 0.00 0.00 55.36 54.70 3gf0 s GLN 159 Cb 0.00 -1.86 -0.05 0.00 -1.09 0.00 0.00 33.01 30.01 3gf0 s GLN 159 CO 0.00 -1.82 1.44 1.03 -1.32 0.00 0.00 175.29 174.62 3gf0 s ARG 160 N -4.40 4.26 -0.09 9.60 0.52 -1.26 -0.20 118.95 127.38 3gf0 s ARG 160 Ca 0.67 1.99 0.06 0.00 -0.52 0.00 0.00 55.73 57.93 3gf0 s ARG 160 Cb -0.22 -3.65 -0.10 0.00 0.52 0.00 0.00 34.95 31.49 3gf0 s ARG 160 CO 0.50 -0.64 0.00 1.51 0.02 0.00 0.00 175.30 176.70 3gf0 n ILE 161 N 4.85 0.61 -1.79 1.52 0.13 0.24 -4.88 119.36 120.06 3gf0 n ILE 161 Ca 0.14 -0.35 0.00 0.00 -1.10 0.00 0.00 62.75 61.44 3gf0 n ILE 161 Cb 0.43 -0.80 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 3gf0 n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gf0 n GLY 162 N 2.57 2.26 3.13 4.50 0.00 -1.20 -2.67 105.19 113.78 3gf0 n GLY 162 Ca -0.16 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 3gf0 n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gf0 s GLN 163 N 1.63 0.53 -0.13 1.61 -2.07 0.10 0.35 119.66 121.68 3gf0 s GLN 163 Ca 0.00 -0.39 -0.10 0.00 -1.82 0.00 0.00 55.36 53.05 3gf0 s GLN 163 Cb 0.00 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 32.10 3gf0 s GLN 163 CO 0.00 -0.13 0.20 -0.51 -1.32 0.00 0.00 175.29 173.53 3gf0 s LEU 164 N -1.44 4.33 -0.15 2.60 1.43 0.14 -0.87 118.68 124.71 3gf0 s LEU 164 Ca -0.14 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3gf0 s LEU 164 Cb -0.07 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3gf0 s LEU 164 CO 0.02 0.29 -0.20 -0.63 0.23 0.00 0.00 176.35 176.06 3gf0 s ILE 165 N -0.44 2.26 -0.12 -0.59 1.01 -0.09 -0.15 121.20 123.07 3gf0 s ILE 165 Ca 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 3gf0 s ILE 165 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3gf0 s ILE 165 CO 0.04 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.14 3gf0 s PHE 166 N 0.88 3.10 0.09 3.97 0.08 -1.26 -0.35 117.98 124.49 3gf0 s PHE 166 Ca -0.05 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.03 3gf0 s PHE 166 Cb -0.15 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 3gf0 s PHE 166 CO -0.03 0.23 -0.11 -1.54 -0.10 0.00 0.00 175.22 173.68 3gf0 s SER 167 N -0.27 1.53 0.20 1.36 1.04 0.48 -0.82 113.70 117.22 3gf0 s SER 167 Ca 0.06 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.42 3gf0 s SER 167 Cb -0.12 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.90 3gf0 s SER 167 CO 0.02 -0.22 1.23 -0.54 0.98 0.00 0.00 173.24 174.72 3gf0 s LYS 168 N -2.56 4.46 0.49 4.02 -0.14 -0.21 -0.76 119.74 125.04 3gf0 s LYS 168 Ca 0.04 1.94 -0.18 0.00 -1.36 0.00 0.00 55.97 56.41 3gf0 s LYS 168 Cb -0.05 -3.22 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 3gf0 s LYS 168 CO 0.01 -0.13 0.97 -0.51 -0.76 0.00 0.00 175.35 174.93 3gf0 s LEU 169 N -0.32 3.73 0.33 3.17 1.43 0.47 -4.08 118.68 123.40 3gf0 s LEU 169 Ca 0.53 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 3gf0 s LEU 169 Cb -0.34 -4.52 0.56 0.00 0.03 0.00 0.00 46.19 41.92 3gf0 s LEU 169 CO 0.38 -0.52 1.93 0.25 0.23 0.00 0.00 176.35 178.62 3gf0 h LEU 170 N 1.24 0.70 -7.85 1.79 5.85 -1.97 -3.44 115.31 111.64 3gf0 h LEU 170 Ca -0.48 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.05 3gf0 h LEU 170 Cb 1.18 -0.18 -0.18 0.00 0.37 0.00 0.00 40.66 41.86 3gf0 h LEU 170 CO 0.61 0.60 -0.49 -0.44 -0.34 0.00 0.00 178.44 178.39 3gf0 s SER 171 N -6.55 0.13 0.55 1.25 0.01 -1.26 -5.14 113.70 102.69 3gf0 s SER 171 Ca -0.10 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 3gf0 s SER 171 Cb 0.17 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 3gf0 s SER 171 CO 0.78 -0.51 1.07 -2.16 0.41 0.00 0.00 173.24 172.82 3gf0 s PRO 172 N -2.54 3.43 0.18 12.44 0.04 -1.26 -4.85 135.00 142.44 3gf0 s PRO 172 Ca -0.05 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 3gf0 s PRO 172 Cb -0.01 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3gf0 s PRO 172 CO -0.04 -0.74 1.17 0.00 0.04 0.00 0.00 177.00 177.42 3gf0 s ALA 173 N -2.13 3.41 0.09 8.56 0.00 0.24 -4.97 121.76 126.97 3gf0 s ALA 173 Ca 0.67 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 3gf0 s ALA 173 Cb -0.18 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 3gf0 s ALA 173 CO 0.29 -0.32 1.65 -0.44 0.00 0.00 0.00 175.76 176.94 3gf0 h ASP 174 N 5.18 -0.67 -3.67 0.00 3.32 -1.95 -3.38 116.42 115.24 3gf0 h ASP 174 Ca -0.44 0.06 -0.68 0.00 0.02 0.00 0.00 57.03 55.98 3gf0 h ASP 174 Cb 1.21 0.22 -0.31 0.00 0.22 0.00 0.00 39.33 40.68 3gf0 h ASP 174 CO 0.74 -0.38 -0.67 -0.69 -1.72 0.00 0.00 179.24 176.52 3gf0 s VAL 175 N -6.07 3.33 1.00 -1.35 1.01 -1.26 -5.09 120.40 111.96 3gf0 s VAL 175 Ca -0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 3gf0 s VAL 175 Cb 0.06 -2.84 0.18 0.00 0.00 0.00 0.00 36.38 33.79 3gf0 s VAL 175 CO 0.64 -0.05 1.05 0.61 0.00 0.00 0.00 175.10 177.36 3gf0 n GLY 176 N 4.72 -0.98 0.26 4.51 0.00 -1.26 -4.84 105.19 107.61 3gf0 n GLY 176 Ca -0.14 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 3gf0 n GLY 176 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gf0 h TYR 177 N -2.12 -0.58 -0.30 1.61 3.20 -0.71 -2.32 116.97 115.75 3gf0 h TYR 177 Ca -0.49 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.51 3gf0 h TYR 177 Cb 1.29 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 3gf0 h TYR 177 CO 0.42 -0.30 0.25 0.77 -1.64 0.00 0.00 178.16 177.66 3gf0 h SER 178 N -0.21 0.00 1.15 -2.11 0.02 -1.52 -2.49 113.55 108.38 3gf0 h SER 178 Ca 0.15 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 3gf0 h SER 178 Cb 0.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3gf0 h SER 178 CO -0.40 0.00 -0.90 -0.33 -1.14 0.00 0.00 176.83 174.07 3gf0 h GLU 179 N 0.00 0.00 -6.33 3.45 5.08 -1.68 -3.45 114.58 111.64 3gf0 h GLU 179 Ca 0.14 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.95 3gf0 h GLU 179 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3gf0 h GLU 179 CO -0.00 0.47 0.79 1.03 -1.00 0.00 0.00 179.01 180.30 3gf0 s ARG 180 N -2.92 4.31 0.55 2.33 0.52 -0.94 -4.88 118.95 117.91 3gf0 s ARG 180 Ca 0.01 1.83 0.25 0.00 -0.52 0.00 0.00 55.73 57.30 3gf0 s ARG 180 Cb 0.08 -3.59 1.46 0.00 0.52 0.00 0.00 34.95 33.42 3gf0 s ARG 180 CO 0.78 -0.54 2.05 0.87 0.02 0.00 0.00 175.30 178.48 3gf0 h LYS 181 N 7.74 0.00 0.00 3.54 1.57 -1.88 -2.21 116.57 125.33 3gf0 h LYS 181 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3gf0 h LYS 181 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3gf0 h LYS 181 CO 0.90 0.00 -0.51 0.25 -0.57 0.00 0.00 179.45 179.51 3gf0 n THR 182 N -4.20 0.28 -1.64 -0.16 -2.24 -1.26 -4.92 114.28 100.14 3gf0 n THR 182 Ca 0.05 -0.20 -0.50 0.00 -2.27 0.00 0.00 64.05 61.13 3gf0 n THR 182 Cb 0.43 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3gf0 n THR 182 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gf0 n SER 183 N -1.96 2.41 0.03 3.42 7.64 -0.83 -4.89 113.62 119.43 3gf0 n SER 183 Ca 0.04 1.09 -0.07 0.00 1.01 0.00 0.00 58.87 60.94 3gf0 n SER 183 Cb 0.41 -1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 62.20 3gf0 n SER 183 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3gf0 h LYS 184 N 5.73 0.00 0.00 1.43 1.57 -1.91 -3.41 116.57 119.99 3gf0 h LYS 184 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3gf0 h LYS 184 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3gf0 h LYS 184 CO 0.85 0.75 0.00 0.66 -0.57 0.00 0.00 179.45 181.14 3gf0 n TYR 185 N -3.20 0.00 -1.64 -1.35 0.53 -1.26 -5.03 117.16 105.20 3gf0 n TYR 185 Ca -0.07 -0.43 -0.45 0.00 -1.02 0.00 0.00 57.90 55.94 3gf0 n TYR 185 Cb 0.97 -0.04 -0.04 0.00 -1.03 0.00 0.00 39.34 39.20 3gf0 n TYR 185 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gf0 n ALA 186 N -0.43 1.35 -0.44 -0.72 0.00 -1.26 -2.61 120.51 116.40 3gf0 n ALA 186 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3gf0 n ALA 186 Cb 0.28 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.07 3gf0 n ALA 186 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gf0 n TYR 187 N 8.18 0.00 -0.94 0.00 4.02 0.34 -4.95 117.16 123.81 3gf0 n TYR 187 Ca 0.24 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.82 3gf0 n TYR 187 Cb 0.37 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.61 3gf0 n TYR 187 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3gf0 n GLN 188 N -2.44 0.00 0.00 -0.72 7.27 -1.07 -4.75 117.38 115.67 3gf0 n GLN 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3gf0 n GLN 188 Cb 0.00 -0.69 0.00 0.00 2.41 0.00 0.00 30.24 31.96 3gf0 n GLN 188 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3gf0 n LYS 189 N 0.80 3.01 0.00 3.69 5.02 -1.26 -2.42 118.16 126.99 3gf0 n LYS 189 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3gf0 n LYS 189 Cb 0.22 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 3gf0 n LYS 189 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gf0 n SER 190 N -0.23 0.00 -4.79 4.39 2.88 -1.26 -4.99 113.62 109.62 3gf0 n SER 190 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 3gf0 n SER 190 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3gf0 n SER 190 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gf0 s VAL 191 N 0.09 4.22 -0.05 2.46 0.11 -1.26 -4.80 120.40 121.16 3gf0 s VAL 191 Ca 0.00 1.70 -0.03 0.00 -2.93 0.00 0.00 61.98 60.72 3gf0 s VAL 191 Cb 0.00 -3.88 0.03 0.00 -1.53 0.00 0.00 36.38 31.00 3gf0 s VAL 191 CO 0.00 0.01 0.12 -0.32 -3.33 0.00 0.00 175.10 171.58 3gf0 s MET 192 N -2.39 0.09 1.36 1.54 1.75 -1.26 -4.97 119.30 115.42 3gf0 s MET 192 Ca 0.54 0.28 -0.23 0.00 -1.25 0.00 0.00 55.69 55.03 3gf0 s MET 192 Cb -0.16 -0.11 0.35 0.00 2.84 0.00 0.00 34.83 37.75 3gf0 s MET 192 CO 0.21 -0.12 0.87 -0.35 -0.65 0.00 0.00 175.02 174.98 3gf0 n PRO 193 N 3.83 -4.48 -2.63 4.11 -0.04 -1.26 -4.93 135.00 129.61 3gf0 n PRO 193 Ca -0.22 -1.44 -0.40 0.00 -0.04 0.00 0.00 63.50 61.40 3gf0 n PRO 193 Cb 0.54 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 3gf0 n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gf0 s SER 194 N -3.27 7.46 -0.28 3.54 0.15 -1.26 -4.97 113.70 115.07 3gf0 s SER 194 Ca 0.64 2.06 0.11 0.00 0.70 0.00 0.00 55.95 59.46 3gf0 s SER 194 Cb -0.10 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.18 3gf0 s SER 194 CO 0.53 -0.01 1.57 0.18 1.20 0.00 0.00 173.24 176.70 3gf0 n LEU 195 N 1.65 4.71 0.17 3.45 4.77 -1.26 -4.76 117.00 125.72 3gf0 n LEU 195 Ca -0.01 -3.39 0.10 0.00 -0.03 0.00 0.00 56.01 52.68 3gf0 n LEU 195 Cb 0.46 -0.65 0.53 0.00 -2.33 0.00 0.00 43.42 41.44 3gf0 n LEU 195 CO 0.52 0.95 0.83 -0.29 -1.33 0.00 0.00 177.39 178.07 3gf0 h ILE 196 N 1.62 0.00 -0.01 -0.08 2.10 -1.93 0.30 117.51 119.51 3gf0 h ILE 196 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.14 3gf0 h ILE 196 Cb 1.85 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3gf0 h ILE 196 CO 0.48 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.55 3gf0 n HIS 197 N -2.22 0.01 0.92 2.19 1.44 -1.08 -2.02 115.22 114.46 3gf0 n HIS 197 Ca -0.01 -0.01 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 3gf0 n HIS 197 Cb 0.13 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.12 3gf0 n HIS 197 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3gf0 n LEU 198 N -0.59 0.92 0.00 2.39 4.77 0.11 -4.86 117.00 119.73 3gf0 n LEU 198 Ca 0.07 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3gf0 n LEU 198 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3gf0 n LEU 198 CO 0.05 0.23 0.15 0.47 -1.33 0.00 0.00 177.39 176.96