#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f40 s VAL 2 N 0.00 1.35 -0.11 1.61 0.11 -1.26 -1.41 120.40 120.69 1f40 s VAL 2 Ca 0.00 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1f40 s VAL 2 Cb 0.00 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1f40 s VAL 2 CO 0.00 0.24 -0.19 -1.58 -3.33 0.00 0.00 175.10 170.24 1f40 s GLN 3 N -0.77 3.21 -0.26 1.54 0.74 -0.14 -4.94 119.66 119.05 1f40 s GLN 3 Ca 0.06 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.62 1f40 s GLN 3 Cb -0.07 -2.46 -0.00 0.00 1.10 0.00 0.00 33.01 31.58 1f40 s GLN 3 CO 0.00 0.20 0.03 0.08 -0.55 0.00 0.00 175.29 175.06 1f40 s VAL 4 N 0.34 3.76 -0.14 1.34 1.01 -1.26 -0.86 120.40 124.59 1f40 s VAL 4 Ca -0.15 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1f40 s VAL 4 Cb -0.17 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1f40 s VAL 4 CO 0.07 0.23 -0.21 -1.61 0.00 0.00 0.00 175.10 173.58 1f40 s GLU 5 N 1.50 3.03 0.27 2.72 2.02 -0.01 -4.96 118.70 123.27 1f40 s GLU 5 Ca 0.04 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1f40 s GLU 5 Cb -0.16 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.52 1f40 s GLU 5 CO 0.00 -0.02 1.06 0.99 0.02 0.00 0.00 175.26 177.31 1f40 s THR 6 N 0.85 3.64 -0.24 3.63 2.01 -1.26 0.30 115.64 124.56 1f40 s THR 6 Ca -0.06 1.65 -0.14 0.00 0.31 0.00 0.00 61.69 63.46 1f40 s THR 6 Cb -0.15 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 1f40 s THR 6 CO -0.02 0.40 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.59 1f40 n ILE 7 N 1.27 1.43 -3.94 1.82 5.41 0.12 -4.86 119.36 120.60 1f40 n ILE 7 Ca -0.01 -0.25 -0.13 0.00 1.00 0.00 0.00 62.75 63.35 1f40 n ILE 7 Cb 0.45 -1.94 -0.14 0.00 -0.71 0.00 0.00 39.64 37.30 1f40 n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1f40 s SER 8 N -7.03 0.18 0.68 4.38 0.01 -0.23 -4.97 113.70 106.72 1f40 s SER 8 Ca -0.34 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 1f40 s SER 8 Cb 0.12 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1f40 s SER 8 CO 0.44 0.01 1.14 -2.84 0.41 0.00 0.00 173.24 172.39 1f40 s PRO 9 N 0.07 2.61 0.00 12.44 0.02 -1.26 -0.73 135.00 148.15 1f40 s PRO 9 Ca -0.00 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1f40 s PRO 9 Cb -0.02 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1f40 s PRO 9 CO -0.00 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 1f40 n GLY 10 N -0.25 1.87 0.01 0.52 0.00 -1.26 -4.09 105.19 101.98 1f40 n GLY 10 Ca 0.11 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.22 1f40 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f40 n ASP 11 N -0.37 0.15 0.00 1.61 5.75 0.18 -4.84 116.55 119.03 1f40 n ASP 11 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1f40 n ASP 11 Cb 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 1f40 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f40 n GLY 12 N 1.46 0.34 0.00 6.12 0.00 -1.26 -4.80 105.19 107.04 1f40 n GLY 12 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1f40 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f40 n ARG 13 N -1.64 2.05 -3.50 1.61 1.74 -1.26 -5.01 116.66 110.65 1f40 n ARG 13 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1f40 n ARG 13 Cb 0.17 -0.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 1f40 n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1f40 s THR 14 N -0.83 4.65 -0.05 0.55 2.01 -1.26 -5.04 115.64 115.66 1f40 s THR 14 Ca 0.00 -2.32 -0.02 0.00 0.31 0.00 0.00 61.69 59.66 1f40 s THR 14 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1f40 s THR 14 CO 0.00 -0.90 0.07 -0.36 -0.69 0.00 0.00 174.62 172.74 1f40 s PHE 15 N 0.58 3.32 0.48 4.92 0.08 -1.26 -1.04 117.98 125.05 1f40 s PHE 15 Ca 0.13 0.27 -0.22 0.00 0.12 0.00 0.00 56.93 57.23 1f40 s PHE 15 Cb -0.19 -1.80 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 1f40 s PHE 15 CO -0.04 0.57 1.19 -1.25 -0.10 0.00 0.00 175.22 175.58 1f40 s PRO 16 N -1.32 3.64 0.21 0.24 0.04 -1.26 -5.04 135.00 131.51 1f40 s PRO 16 Ca 0.18 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.15 1f40 s PRO 16 Cb -0.12 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1f40 s PRO 16 CO 0.08 -0.66 -0.21 0.15 0.04 0.00 0.00 177.00 176.39 1f40 s LYS 17 N -2.78 1.49 0.13 4.56 -0.14 -1.26 -4.87 119.74 116.87 1f40 s LYS 17 Ca 0.66 -1.56 -0.35 0.00 -1.36 0.00 0.00 55.97 53.35 1f40 s LYS 17 Cb -0.30 -1.67 -0.15 0.00 -1.68 0.00 0.00 37.83 34.03 1f40 s LYS 17 CO 0.36 0.34 1.46 -2.13 -0.76 0.00 0.00 175.35 174.62 1f40 n ARG 18 N 0.02 1.69 0.00 1.68 0.63 -1.26 -1.53 116.66 117.88 1f40 n ARG 18 Ca -0.11 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1f40 n ARG 18 Cb 0.57 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.17 1f40 n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1f40 n GLY 19 N 2.95 1.78 3.85 5.14 0.00 0.22 -5.01 105.19 114.12 1f40 n GLY 19 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1f40 n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f40 s GLN 20 N -0.76 4.01 -0.25 1.61 -0.21 -0.58 -4.83 119.66 118.64 1f40 s GLN 20 Ca 0.00 0.65 -0.20 0.00 0.02 0.00 0.00 55.36 55.83 1f40 s GLN 20 Cb 0.00 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1f40 s GLN 20 CO 0.00 0.19 0.61 0.99 -2.12 0.00 0.00 175.29 174.97 1f40 s THR 21 N -1.93 5.00 -0.12 -0.19 2.01 -0.40 -1.12 115.64 118.89 1f40 s THR 21 Ca 0.52 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 1f40 s THR 21 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1f40 s THR 21 CO 0.18 0.04 0.41 0.00 -0.69 0.00 0.00 174.62 174.56 1f40 s VAL 23 N 0.41 3.41 0.12 0.00 1.01 -0.47 -1.91 120.40 122.96 1f40 s VAL 23 Ca 0.23 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1f40 s VAL 23 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1f40 s VAL 23 CO 0.08 -0.06 -0.14 0.68 0.00 0.00 0.00 175.10 175.66 1f40 s VAL 24 N 1.35 1.32 -0.00 2.92 -7.23 -0.41 -1.02 120.40 117.33 1f40 s VAL 24 Ca -0.02 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1f40 s VAL 24 Cb -0.19 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1f40 s VAL 24 CO 0.00 -0.41 0.06 -1.00 -0.31 0.00 0.00 175.10 173.45 1f40 s HIS 25 N -2.10 3.24 0.05 2.82 3.76 -0.57 -0.62 115.29 121.86 1f40 s HIS 25 Ca 0.08 0.18 -0.08 0.00 -0.15 0.00 0.00 55.06 55.09 1f40 s HIS 25 Cb -0.05 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.92 1f40 s HIS 25 CO 0.03 0.53 0.16 1.52 -0.85 0.00 0.00 174.74 176.13 1f40 s TYR 26 N -1.18 0.13 -0.08 1.40 -0.85 -1.26 -1.10 117.35 114.41 1f40 s TYR 26 Ca 0.22 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.34 1f40 s TYR 26 Cb -0.12 -0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.17 1f40 s TYR 26 CO 0.13 -0.44 -0.03 0.99 -1.52 0.00 0.00 175.55 174.69 1f40 s THR 27 N -2.90 0.56 -0.18 -3.49 2.01 -0.08 -1.08 115.64 110.48 1f40 s THR 27 Ca -0.02 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 1f40 s THR 27 Cb 0.01 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1f40 s THR 27 CO -0.06 0.28 0.11 -0.83 -0.69 0.00 0.00 174.62 173.44 1f40 s GLY 28 N 1.74 2.02 0.08 4.40 0.00 0.32 -0.79 107.32 115.09 1f40 s GLY 28 Ca 0.02 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1f40 s GLY 28 CO -0.05 0.02 -0.12 1.06 0.00 0.00 0.00 173.10 174.01 1f40 s MET 29 N 0.10 0.79 0.70 2.90 -1.94 0.69 -0.73 119.30 121.80 1f40 s MET 29 Ca 0.08 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.94 1f40 s MET 29 Cb -0.11 -0.63 0.01 0.00 2.01 0.00 0.00 34.83 36.11 1f40 s MET 29 CO -0.00 0.12 1.08 -0.51 -0.01 0.00 0.00 175.02 175.70 1f40 s LEU 30 N -2.00 2.92 0.66 -0.03 1.02 -0.36 -0.14 118.68 120.75 1f40 s LEU 30 Ca -0.00 1.09 0.39 0.00 0.02 0.00 0.00 54.13 55.63 1f40 s LEU 30 Cb -0.07 -3.89 2.15 0.00 0.02 0.00 0.00 46.19 44.40 1f40 s LEU 30 CO 0.01 -1.33 2.23 -0.33 0.02 0.00 0.00 176.35 176.96 1f40 h GLU 31 N -0.63 0.00 -0.16 1.70 5.08 -1.91 -0.95 114.58 117.72 1f40 h GLU 31 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1f40 h GLU 31 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1f40 h GLU 31 CO 0.64 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.25 1f40 n ASP 32 N -3.11 1.37 0.00 1.42 5.75 -1.26 -4.91 116.55 115.80 1f40 n ASP 32 Ca -0.02 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1f40 n ASP 32 Cb 0.17 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1f40 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f40 n GLY 33 N 1.04 0.79 3.68 6.12 0.00 -0.36 -5.04 105.19 111.43 1f40 n GLY 33 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1f40 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f40 s LYS 34 N -0.75 4.22 0.04 1.61 2.36 -1.26 -4.75 119.74 121.21 1f40 s LYS 34 Ca 0.00 2.21 -0.30 0.00 -2.55 0.00 0.00 55.97 55.33 1f40 s LYS 34 Cb 0.00 -3.65 -0.04 0.00 -1.05 0.00 0.00 37.83 33.08 1f40 s LYS 34 CO 0.00 -0.71 1.06 0.21 1.55 0.00 0.00 175.35 177.46 1f40 s LYS 35 N 2.80 4.53 -0.01 4.03 2.20 -1.26 -1.22 119.74 130.81 1f40 s LYS 35 Ca 0.71 1.55 0.13 0.00 -0.36 0.00 0.00 55.97 58.01 1f40 s LYS 35 Cb -0.36 -3.40 -0.20 0.00 -1.51 0.00 0.00 37.83 32.36 1f40 s LYS 35 CO 0.30 -0.09 0.35 1.97 -0.36 0.00 0.00 175.35 177.53 1f40 n PHE 36 N 3.71 0.00 -3.58 4.03 1.16 0.09 -4.97 117.46 117.90 1f40 n PHE 36 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.58 1f40 n PHE 36 Cb 0.49 -0.24 -0.03 0.00 -1.61 0.00 0.00 39.48 38.08 1f40 n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1f40 s ASP 37 N -3.28 -0.22 -0.27 5.98 2.15 -1.19 -5.02 116.67 114.82 1f40 s ASP 37 Ca -0.03 0.12 -0.14 0.00 0.43 0.00 0.00 52.55 52.93 1f40 s ASP 37 Cb 0.09 0.21 0.09 0.00 -0.30 0.00 0.00 42.92 43.00 1f40 s ASP 37 CO 0.56 -0.29 0.64 -0.55 -0.17 0.00 0.00 175.17 175.36 1f40 s SER 38 N -1.72 -0.91 0.47 -0.34 0.15 -1.26 -0.52 113.70 109.57 1f40 s SER 38 Ca 0.05 1.44 0.26 0.00 0.70 0.00 0.00 55.95 58.41 1f40 s SER 38 Cb -0.01 1.46 0.72 0.00 -1.71 0.00 0.00 66.02 66.48 1f40 s SER 38 CO -0.04 -0.23 1.74 0.77 1.20 0.00 0.00 173.24 176.68 1f40 h SER 39 N 7.21 0.00 -0.47 5.45 4.64 -1.40 -3.07 113.55 125.90 1f40 h SER 39 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1f40 h SER 39 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1f40 h SER 39 CO 0.17 0.05 0.13 0.03 -0.87 0.00 0.00 176.83 176.34 1f40 h ARG 40 N 0.00 0.80 0.00 4.77 3.08 -1.84 0.29 114.38 121.48 1f40 h ARG 40 Ca -0.00 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1f40 h ARG 40 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1f40 h ARG 40 CO 0.01 0.72 -0.32 -0.44 -1.07 0.00 0.00 179.97 178.87 1f40 h ASP 41 N 0.78 0.00 0.57 7.04 3.32 -1.87 -1.85 116.42 124.41 1f40 h ASP 41 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1f40 h ASP 41 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1f40 h ASP 41 CO -0.00 0.32 -0.43 0.54 -1.72 0.00 0.00 179.24 177.94 1f40 n ARG 42 N -3.94 0.00 -3.00 3.56 1.74 -0.51 -4.96 116.66 109.55 1f40 n ARG 42 Ca -0.02 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.85 1f40 n ARG 42 Cb 0.39 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.34 1f40 n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1f40 n ASN 43 N -1.50 -5.31 -3.68 0.55 4.05 0.90 -4.98 115.26 105.30 1f40 n ASN 43 Ca 0.06 -0.25 -0.20 0.00 0.45 0.00 0.00 54.58 54.64 1f40 n ASN 43 Cb 0.34 -4.33 -0.18 0.00 1.23 0.00 0.00 39.78 36.83 1f40 n ASN 43 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1f40 s LYS 44 N -5.66 -0.04 0.71 1.20 2.20 -1.14 -5.04 119.74 111.96 1f40 s LYS 44 Ca 0.27 0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 56.08 1f40 s LYS 44 Cb -0.13 -0.53 0.02 0.00 -1.51 0.00 0.00 37.83 35.68 1f40 s LYS 44 CO 0.34 -0.33 1.21 -2.30 -0.36 0.00 0.00 175.35 173.91 1f40 n PRO 45 N 5.28 0.73 -3.63 4.03 -0.02 -1.26 -4.70 135.00 135.43 1f40 n PRO 45 Ca -0.04 0.31 -0.37 0.00 -2.02 0.00 0.00 63.50 61.38 1f40 n PRO 45 Cb 0.50 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1f40 n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1f40 s PHE 46 N -1.68 3.64 -0.09 6.00 5.36 0.21 -4.88 117.98 126.55 1f40 s PHE 46 Ca 0.78 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1f40 s PHE 46 Cb -0.35 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 1f40 s PHE 46 CO 0.45 0.60 -0.09 0.15 -1.46 0.00 0.00 175.22 174.87 1f40 s LYS 47 N -0.79 2.93 0.01 10.12 1.02 -1.26 -1.29 119.74 130.49 1f40 s LYS 47 Ca 0.20 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 1f40 s LYS 47 Cb -0.15 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1f40 s LYS 47 CO 0.09 0.52 0.06 -0.59 -0.92 0.00 0.00 175.35 174.51 1f40 s PHE 48 N -0.43 0.16 -0.17 3.18 -0.71 -0.80 -4.99 117.98 114.22 1f40 s PHE 48 Ca 0.06 -0.35 -0.18 0.00 -1.04 0.00 0.00 56.93 55.42 1f40 s PHE 48 Cb -0.12 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1f40 s PHE 48 CO 0.02 -0.26 0.47 1.41 -1.34 0.00 0.00 175.22 175.52 1f40 s MET 49 N -1.60 4.24 0.17 1.99 -2.45 -1.26 -0.43 119.30 119.97 1f40 s MET 49 Ca -0.14 0.37 -0.32 0.00 -1.25 0.00 0.00 55.69 54.35 1f40 s MET 49 Cb -0.08 -3.51 -0.11 0.00 1.25 0.00 0.00 34.83 32.39 1f40 s MET 49 CO -0.00 -0.00 1.62 -0.51 1.05 0.00 0.00 175.02 177.18 1f40 s LEU 50 N 1.16 4.37 0.00 4.11 1.43 -0.28 -2.73 118.68 126.74 1f40 s LEU 50 Ca 0.23 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1f40 s LEU 50 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1f40 s LEU 50 CO 0.09 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1f40 n GLY 51 N 3.84 1.14 0.13 -3.19 0.00 -1.26 -0.61 105.19 105.24 1f40 n GLY 51 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1f40 n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f40 n LYS 52 N -2.00 0.88 -3.29 1.61 4.81 -1.11 -4.93 118.16 114.13 1f40 n LYS 52 Ca 0.00 -0.27 -0.18 0.00 -0.87 0.00 0.00 58.31 56.99 1f40 n LYS 52 Cb 0.00 -1.49 0.06 0.00 0.02 0.00 0.00 35.03 33.61 1f40 n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1f40 n GLN 53 N -0.83 -5.93 0.00 1.64 6.02 -1.26 -4.93 117.38 112.09 1f40 n GLN 53 Ca 0.17 0.65 0.03 0.00 -0.01 0.00 0.00 57.00 57.84 1f40 n GLN 53 Cb 0.25 -5.12 0.02 0.00 1.02 0.00 0.00 30.24 26.41 1f40 n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1f40 n GLU 54 N -3.91 0.36 -4.61 -1.09 0.28 -1.26 -5.01 120.64 105.39 1f40 n GLU 54 Ca -0.00 -0.84 -0.28 0.00 -0.16 0.00 0.00 57.16 55.88 1f40 n GLU 54 Cb 0.55 -1.11 -0.10 0.00 1.43 0.00 0.00 31.44 32.22 1f40 n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1f40 s VAL 55 N -0.66 1.52 0.57 3.84 -7.23 -1.26 -5.11 120.40 112.08 1f40 s VAL 55 Ca 0.08 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 1f40 s VAL 55 Cb 0.06 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1f40 s VAL 55 CO 0.10 0.00 1.09 0.27 -0.31 0.00 0.00 175.10 176.25 1f40 s ILE 56 N -2.91 3.45 0.38 -0.62 -4.36 -1.26 -4.84 121.20 111.04 1f40 s ILE 56 Ca 0.27 0.80 0.09 0.00 -0.26 0.00 0.00 60.65 61.55 1f40 s ILE 56 Cb 0.07 -3.30 0.31 0.00 1.25 0.00 0.00 42.46 40.79 1f40 s ILE 56 CO 0.14 -0.29 1.94 -0.09 0.24 0.00 0.00 174.94 176.88 1f40 h ARG 57 N 0.85 0.62 0.00 0.37 2.43 -1.86 -0.29 114.38 116.50 1f40 h ARG 57 Ca -0.48 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 1f40 h ARG 57 Cb 1.24 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1f40 h ARG 57 CO 0.57 0.41 -0.12 0.78 -1.51 0.00 0.00 179.97 180.10 1f40 h GLY 58 N 0.64 0.00 0.28 2.80 0.00 -1.38 -2.33 103.07 103.08 1f40 h GLY 58 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1f40 h GLY 58 CO -0.12 0.00 -0.06 1.49 0.00 0.00 0.00 176.54 177.85 1f40 h TRP 59 N 0.00 -0.16 -0.87 5.60 4.06 -1.32 0.47 115.95 123.73 1f40 h TRP 59 Ca -0.00 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.17 1f40 h TRP 59 Cb 0.42 0.05 -0.14 0.00 -1.00 0.00 0.00 29.16 28.50 1f40 h TRP 59 CO 0.00 0.28 0.25 0.93 -3.56 0.00 0.00 178.44 176.34 1f40 h GLU 60 N -0.90 0.22 0.08 0.49 4.39 -1.44 0.15 114.58 117.57 1f40 h GLU 60 Ca -0.02 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 1f40 h GLU 60 Cb 0.52 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1f40 h GLU 60 CO 0.03 0.15 -1.12 0.93 -1.16 0.00 0.00 179.01 177.84 1f40 h GLU 61 N 0.23 0.34 0.09 2.33 4.39 -1.51 -3.23 114.58 117.22 1f40 h GLU 61 Ca 0.54 -0.47 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 1f40 h GLU 61 Cb 1.07 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1f40 h GLU 61 CO -0.63 1.18 -1.01 0.78 -1.16 0.00 0.00 179.01 178.17 1f40 h GLY 62 N 1.37 0.21 2.00 -3.84 0.00 0.31 -3.32 103.07 99.81 1f40 h GLY 62 Ca -0.12 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 1f40 h GLY 62 CO 0.19 0.48 -0.27 -2.08 0.00 0.00 0.00 176.54 174.86 1f40 h VAL 63 N -0.52 0.92 0.00 4.60 2.07 -0.97 -1.58 116.25 120.77 1f40 h VAL 63 Ca -0.22 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1f40 h VAL 63 Cb 1.55 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1f40 h VAL 63 CO 0.04 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1f40 h ALA 64 N 1.73 1.00 -0.01 1.67 0.00 -1.65 -0.16 119.26 121.84 1f40 h ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f40 h ALA 64 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f40 h ALA 64 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1f40 n GLN 65 N -2.91 1.30 -4.33 0.00 6.02 -0.59 -4.47 117.38 112.39 1f40 n GLN 65 Ca -0.01 -0.44 -0.33 0.00 -0.01 0.00 0.00 57.00 56.21 1f40 n GLN 65 Cb 0.15 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 1f40 n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1f40 s MET 66 N -1.99 2.84 0.25 -1.09 -1.94 -0.08 -5.09 119.30 112.20 1f40 s MET 66 Ca 0.43 -0.55 -0.02 0.00 -1.71 0.00 0.00 55.69 53.83 1f40 s MET 66 Cb 0.21 -2.70 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 1f40 s MET 66 CO 0.35 0.65 0.47 -1.54 -0.01 0.00 0.00 175.02 174.93 1f40 s SER 67 N -1.32 6.40 0.19 3.03 1.04 -1.26 -4.11 113.70 117.67 1f40 s SER 67 Ca 0.17 0.53 -0.33 0.00 0.48 0.00 0.00 55.95 56.80 1f40 s SER 67 Cb -0.11 -2.06 -0.13 0.00 0.10 0.00 0.00 66.02 63.81 1f40 s SER 67 CO 0.07 -0.12 1.65 0.52 0.98 0.00 0.00 173.24 176.34 1f40 n VAL 68 N -0.86 0.04 0.00 5.02 0.31 -0.21 -1.68 118.33 120.95 1f40 n VAL 68 Ca -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1f40 n VAL 68 Cb 0.54 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1f40 n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f40 n GLY 69 N 3.63 1.10 3.81 2.92 0.00 -0.09 -0.65 105.19 115.92 1f40 n GLY 69 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1f40 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f40 s GLN 70 N -0.79 4.32 -0.13 1.61 0.74 -0.68 -4.40 119.66 120.34 1f40 s GLN 70 Ca 0.00 0.97 0.01 0.00 0.05 0.00 0.00 55.36 56.39 1f40 s GLN 70 Cb 0.00 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.29 1f40 s GLN 70 CO 0.00 0.36 -0.16 0.50 -0.55 0.00 0.00 175.29 175.43 1f40 s ARG 71 N -2.04 2.40 0.05 1.67 3.52 0.09 -0.55 118.95 124.09 1f40 s ARG 71 Ca 0.45 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 55.39 1f40 s ARG 71 Cb -0.17 -2.06 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 1f40 s ARG 71 CO 0.21 -0.10 0.06 0.00 -0.81 0.00 0.00 175.30 174.67 1f40 s ALA 72 N 1.09 0.10 -0.25 6.12 0.00 -0.06 0.11 121.76 128.86 1f40 s ALA 72 Ca -0.04 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1f40 s ALA 72 Cb -0.14 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1f40 s ALA 72 CO -0.04 -0.35 0.15 0.21 0.00 0.00 0.00 175.76 175.73 1f40 s LYS 73 N -3.10 3.94 -0.31 0.00 2.20 0.15 -0.95 119.74 121.66 1f40 s LYS 73 Ca -0.01 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.19 1f40 s LYS 73 Cb 0.02 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1f40 s LYS 73 CO -0.07 -0.07 0.13 -0.51 -0.36 0.00 0.00 175.35 174.47 1f40 s LEU 74 N 1.40 4.10 -0.27 5.43 1.02 0.32 -0.83 118.68 129.86 1f40 s LEU 74 Ca 0.07 -0.68 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 1f40 s LEU 74 Cb -0.15 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 1f40 s LEU 74 CO 0.07 -0.22 0.24 -0.89 0.02 0.00 0.00 176.35 175.57 1f40 s THR 75 N 1.55 5.27 -0.16 5.49 2.01 -0.04 -1.20 115.64 128.57 1f40 s THR 75 Ca 0.03 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1f40 s THR 75 Cb -0.17 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1f40 s THR 75 CO 0.05 0.23 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.37 1f40 s ILE 76 N 1.79 2.11 0.68 1.82 1.01 -0.17 -0.96 121.20 127.47 1f40 s ILE 76 Ca 0.09 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1f40 s ILE 76 Cb -0.16 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1f40 s ILE 76 CO 0.10 0.54 1.16 -0.94 0.00 0.00 0.00 174.94 175.80 1f40 s SER 77 N 1.04 4.77 0.40 3.58 1.04 -0.50 -1.33 113.70 122.70 1f40 s SER 77 Ca -0.01 2.18 0.12 0.00 0.48 0.00 0.00 55.95 58.72 1f40 s SER 77 Cb -0.14 -2.57 0.94 0.00 0.10 0.00 0.00 66.02 64.35 1f40 s SER 77 CO -0.07 -1.87 1.93 1.55 0.98 0.00 0.00 173.24 175.76 1f40 h PRO 78 N 0.03 0.52 0.00 4.02 0.13 -1.86 0.85 132.00 135.68 1f40 h PRO 78 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1f40 h PRO 78 Cb 1.27 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1f40 h PRO 78 CO 0.52 0.34 0.00 -0.40 -0.23 0.00 0.00 178.00 178.24 1f40 n ASP 79 N -4.49 0.56 -1.17 1.44 5.75 -1.26 -0.46 116.55 116.91 1f40 n ASP 79 Ca 0.13 0.64 0.10 0.00 -0.01 0.00 0.00 54.79 55.65 1f40 n ASP 79 Cb 0.43 -0.75 0.28 0.00 -1.03 0.00 0.00 41.12 40.05 1f40 n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1f40 n TYR 80 N -2.11 0.91 0.00 2.11 4.02 0.28 -4.84 117.16 117.52 1f40 n TYR 80 Ca 0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 1f40 n TYR 80 Cb 0.22 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1f40 n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f40 n ALA 81 N 1.18 0.00 0.39 -0.72 0.00 -0.36 -0.88 120.51 120.12 1f40 n ALA 81 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1f40 n ALA 81 Cb 0.62 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.23 1f40 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1f40 n TYR 82 N 0.00 0.35 -3.31 0.00 4.01 -1.14 -4.77 117.16 112.31 1f40 n TYR 82 Ca 0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1f40 n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1f40 n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1f40 n GLY 83 N 1.27 3.07 0.17 2.72 0.00 0.40 -1.27 105.19 111.55 1f40 n GLY 83 Ca 0.16 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1f40 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f40 h ALA 84 N -0.92 0.89 -0.14 4.61 0.00 -1.94 0.13 119.26 121.89 1f40 h ALA 84 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1f40 h ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f40 h ALA 84 CO 0.00 0.00 -0.39 1.15 0.00 0.00 0.00 179.25 180.01 1f40 h THR 85 N 0.00 1.36 -0.64 0.00 2.02 -1.78 -3.40 112.91 110.47 1f40 h THR 85 Ca 0.00 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1f40 h THR 85 Cb 0.94 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1f40 h THR 85 CO 0.00 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1f40 n GLY 86 N 0.54 -1.64 3.12 2.16 0.00 -0.40 -4.27 105.19 104.71 1f40 n GLY 86 Ca -0.07 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1f40 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1f40 s HIS 87 N 0.00 3.04 -0.19 1.61 2.46 -0.41 -4.91 115.29 116.88 1f40 s HIS 87 Ca 0.00 -1.89 -0.39 0.00 0.47 0.00 0.00 55.06 53.24 1f40 s HIS 87 Cb 0.00 -1.96 -0.16 0.00 -0.13 0.00 0.00 32.58 30.33 1f40 s HIS 87 CO 0.00 -0.82 1.66 -0.35 -2.47 0.00 0.00 174.74 172.76 1f40 n PRO 88 N 4.56 1.17 0.00 2.88 -0.04 -1.26 -0.39 135.00 141.92 1f40 n PRO 88 Ca -0.17 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1f40 n PRO 88 Cb 0.46 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1f40 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f40 n GLY 89 N 3.82 2.68 0.26 0.55 0.00 -1.26 -4.74 105.19 106.51 1f40 n GLY 89 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1f40 n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f40 n ILE 90 N -0.61 1.31 -4.71 -0.61 5.41 0.48 -4.96 119.36 115.68 1f40 n ILE 90 Ca 0.00 -0.33 -0.33 0.00 1.00 0.00 0.00 62.75 63.09 1f40 n ILE 90 Cb 0.00 -1.83 -0.14 0.00 -0.71 0.00 0.00 39.64 36.96 1f40 n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1f40 s ILE 91 N -2.44 3.26 0.89 1.39 -1.09 -0.57 -4.93 121.20 117.71 1f40 s ILE 91 Ca -0.33 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 1f40 s ILE 91 Cb 0.13 -2.37 0.13 0.00 -1.58 0.00 0.00 42.46 38.76 1f40 s ILE 91 CO 0.42 0.53 1.10 -2.84 -1.23 0.00 0.00 174.94 172.92 1f40 s PRO 92 N 0.14 1.27 0.46 2.79 0.02 -1.26 -1.29 135.00 137.12 1f40 s PRO 92 Ca -0.05 1.07 -0.24 0.00 0.02 0.00 0.00 61.00 61.80 1f40 s PRO 92 Cb -0.15 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1f40 s PRO 92 CO 0.04 -2.30 1.13 -2.30 -0.33 0.00 0.00 177.00 173.24 1f40 n PRO 93 N -3.96 1.53 -2.15 5.54 -0.02 -1.26 -3.37 135.00 131.30 1f40 n PRO 93 Ca 0.08 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.93 1f40 n PRO 93 Cb 0.54 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1f40 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1f40 n HIS 94 N -0.63 -0.67 -2.82 6.00 8.25 0.47 -4.95 115.22 120.87 1f40 n HIS 94 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 1f40 n HIS 94 Cb 0.41 -3.55 -0.04 0.00 1.12 0.00 0.00 29.99 27.93 1f40 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f40 s ALA 95 N -2.88 3.25 0.05 -1.41 0.00 -1.22 -4.76 121.76 114.80 1f40 s ALA 95 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1f40 s ALA 95 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1f40 s ALA 95 CO 0.00 -0.09 0.95 0.99 0.00 0.00 0.00 175.76 177.61 1f40 s THR 96 N 0.44 4.70 0.04 0.00 2.01 -1.26 -3.65 115.64 117.91 1f40 s THR 96 Ca 0.46 2.02 0.03 0.00 0.31 0.00 0.00 61.69 64.50 1f40 s THR 96 Cb -0.21 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1f40 s THR 96 CO 0.26 0.25 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.67 1f40 s LEU 97 N 0.48 3.43 -0.16 4.42 1.43 -0.44 -3.77 118.68 124.06 1f40 s LEU 97 Ca 0.48 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1f40 s LEU 97 Cb -0.22 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1f40 s LEU 97 CO 0.28 0.24 -0.16 -0.69 0.23 0.00 0.00 176.35 176.25 1f40 s VAL 98 N -1.16 1.71 -0.06 -1.59 1.01 0.80 -1.00 120.40 120.12 1f40 s VAL 98 Ca 0.22 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1f40 s VAL 98 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1f40 s VAL 98 CO 0.13 0.48 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 1f40 s PHE 99 N 1.43 2.58 -0.35 5.22 0.40 -0.34 -0.23 117.98 126.69 1f40 s PHE 99 Ca 0.05 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1f40 s PHE 99 Cb -0.13 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.78 1f40 s PHE 99 CO -0.11 -0.03 0.19 0.34 0.70 0.00 0.00 175.22 176.30 1f40 s ASP 100 N -0.36 5.71 -0.06 1.36 -1.08 0.03 -0.52 116.67 121.74 1f40 s ASP 100 Ca 0.03 -0.76 0.03 0.00 -0.52 0.00 0.00 52.55 51.34 1f40 s ASP 100 Cb -0.12 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 1f40 s ASP 100 CO 0.02 -0.30 -0.15 -0.69 0.52 0.00 0.00 175.17 174.57 1f40 s VAL 101 N 1.60 1.34 -0.16 1.11 1.01 -0.13 -0.91 120.40 124.26 1f40 s VAL 101 Ca 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1f40 s VAL 101 Cb -0.18 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1f40 s VAL 101 CO 0.07 0.39 -0.20 -0.70 0.00 0.00 0.00 175.10 174.66 1f40 s GLU 102 N 0.36 2.94 -0.47 2.72 2.12 -0.26 -0.88 118.70 125.24 1f40 s GLU 102 Ca -0.10 -0.82 -0.23 0.00 0.36 0.00 0.00 54.97 54.18 1f40 s GLU 102 Cb -0.14 -2.47 0.03 0.00 0.26 0.00 0.00 34.13 31.81 1f40 s GLU 102 CO 0.04 -0.14 0.77 -1.17 -0.54 0.00 0.00 175.26 174.22 1f40 s LEU 103 N 1.12 4.33 -0.09 2.70 2.96 0.28 -1.52 118.68 128.46 1f40 s LEU 103 Ca 0.00 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 1f40 s LEU 103 Cb -0.14 -2.87 -0.28 0.00 0.50 0.00 0.00 46.19 43.40 1f40 s LEU 103 CO -0.09 -0.94 0.59 -0.07 -1.32 0.00 0.00 176.35 174.53 1f40 h LEU 104 N 10.15 0.42 -7.00 -0.68 3.38 -1.39 -0.20 115.31 120.00 1f40 h LEU 104 Ca -0.25 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 56.83 1f40 h LEU 104 Cb 1.09 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 1f40 h LEU 104 CO 0.97 1.63 0.27 -0.75 0.09 0.00 0.00 178.44 180.65 1f40 s LYS 105 N -2.49 1.03 -0.07 1.13 2.20 -1.14 -4.60 119.74 115.80 1f40 s LYS 105 Ca -0.19 -0.00 0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1f40 s LYS 105 Cb 0.04 0.48 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 1f40 s LYS 105 CO 0.78 -0.37 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.64 1f40 s LEU 106 N -1.71 2.08 0.00 5.43 1.43 -1.26 -1.37 118.68 123.28 1f40 s LEU 106 Ca -0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1f40 s LEU 106 Cb -0.00 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1f40 s LEU 106 CO 0.01 0.21 0.38 -0.62 0.23 0.00 0.00 176.35 176.56