#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd7 n PRO 2 N 0.00 0.96 0.00 0.00 -0.02 -1.26 -4.93 135.00 129.74 1fd7 n PRO 2 Ca 0.00 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1fd7 n PRO 2 Cb 0.00 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.09 1fd7 n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fd7 n GLN 3 N -1.64 3.01 -4.11 -0.52 6.02 -1.26 -4.98 117.38 113.90 1fd7 n GLN 3 Ca 0.15 -0.36 -0.09 0.00 -0.01 0.00 0.00 57.00 56.69 1fd7 n GLN 3 Cb 0.48 -0.94 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 1fd7 n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1fd7 s THR 4 N -1.27 0.11 0.15 5.09 2.01 -1.26 -5.05 115.64 115.42 1fd7 s THR 4 Ca 0.05 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.14 1fd7 s THR 4 Cb 0.06 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1fd7 s THR 4 CO 0.21 -0.49 1.55 -0.29 -0.69 0.00 0.00 174.62 174.91 1fd7 h ILE 5 N 2.84 1.27 -0.62 1.82 2.10 -1.96 -2.65 117.51 120.32 1fd7 h ILE 5 Ca -0.34 -1.31 -0.04 0.00 1.08 0.00 0.00 64.86 64.25 1fd7 h ILE 5 Cb 1.20 1.11 -0.03 0.00 -1.09 0.00 0.00 36.82 38.02 1fd7 h ILE 5 CO 0.58 0.45 0.23 0.74 -1.08 0.00 0.00 178.15 179.07 1fd7 h THR 6 N 0.80 1.24 -0.70 2.19 2.02 -1.99 0.01 112.91 116.48 1fd7 h THR 6 Ca 0.12 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1fd7 h THR 6 Cb 0.73 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1fd7 h THR 6 CO 0.06 0.30 0.31 -0.33 0.37 0.00 0.00 175.52 176.22 1fd7 h GLU 7 N 0.87 1.03 -0.29 6.66 5.08 -1.94 -2.27 114.58 123.72 1fd7 h GLU 7 Ca 0.20 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1fd7 h GLU 7 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1fd7 h GLU 7 CO -0.01 0.84 -0.05 1.25 -1.00 0.00 0.00 179.01 180.03 1fd7 h LEU 8 N 0.99 0.55 -1.77 1.33 6.46 -1.32 -2.93 115.31 118.63 1fd7 h LEU 8 Ca 0.24 -0.35 0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1fd7 h LEU 8 Cb 0.17 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1fd7 h LEU 8 CO -0.02 0.77 0.35 0.00 -0.62 0.00 0.00 178.44 178.92 1fd7 n SER 10 N -4.46 0.10 0.09 0.00 7.64 -0.86 -2.02 113.62 114.12 1fd7 n SER 10 Ca 0.08 0.51 0.13 0.00 1.01 0.00 0.00 58.87 60.60 1fd7 n SER 10 Cb 0.39 -0.54 0.44 0.00 -1.01 0.00 0.00 64.21 63.50 1fd7 n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fd7 n GLU 11 N -1.60 0.21 -4.74 1.43 1.02 -0.82 -4.84 120.64 111.31 1fd7 n GLU 11 Ca 0.06 0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 57.11 1fd7 n GLU 11 Cb 0.32 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 1fd7 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1fd7 s TYR 12 N -3.12 2.67 0.67 -0.32 2.02 -0.86 -5.13 117.35 113.28 1fd7 s TYR 12 Ca 0.10 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.49 1fd7 s TYR 12 Cb 0.12 -1.56 -0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1fd7 s TYR 12 CO 0.54 0.24 1.06 0.50 -1.57 0.00 0.00 175.55 176.32 1fd7 s ARG 13 N -1.11 2.98 -1.45 -0.62 6.06 -1.26 -3.94 118.95 119.61 1fd7 s ARG 13 Ca 0.14 1.08 -0.03 0.00 -2.50 0.00 0.00 55.73 54.42 1fd7 s ARG 13 Cb -0.11 -1.99 0.01 0.00 0.06 0.00 0.00 34.95 32.93 1fd7 s ARG 13 CO 0.03 -1.07 0.25 0.09 -2.50 0.00 0.00 175.30 172.11 1fd7 n ASN 14 N -2.77 -5.10 -4.62 -2.12 5.03 -1.26 -4.92 115.26 99.50 1fd7 n ASN 14 Ca 0.08 -0.10 -0.26 0.00 0.87 0.00 0.00 54.58 55.17 1fd7 n ASN 14 Cb 0.53 -4.22 -0.10 0.00 -1.02 0.00 0.00 39.78 34.98 1fd7 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fd7 s THR 15 N -2.95 2.29 0.12 3.41 -4.23 -1.25 0.20 115.64 113.23 1fd7 s THR 15 Ca 0.15 -2.01 -0.24 0.00 -1.18 0.00 0.00 61.69 58.42 1fd7 s THR 15 Cb -0.07 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1fd7 s THR 15 CO 0.19 -0.12 0.59 0.00 -0.54 0.00 0.00 174.62 174.74 1fd7 s GLN 16 N -3.71 1.22 -0.10 3.99 -2.07 -0.65 -4.87 119.66 113.47 1fd7 s GLN 16 Ca 0.35 -0.37 -0.14 0.00 -1.82 0.00 0.00 55.36 53.38 1fd7 s GLN 16 Cb 0.04 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.47 1fd7 s GLN 16 CO 0.19 -0.51 0.35 0.42 -1.32 0.00 0.00 175.29 174.42 1fd7 s ILE 17 N -3.32 5.21 -0.21 3.63 -1.09 -1.26 -1.24 121.20 122.93 1fd7 s ILE 17 Ca -0.01 0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 59.06 1fd7 s ILE 17 Cb -0.01 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1fd7 s ILE 17 CO -0.09 0.46 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.69 1fd7 s TYR 18 N -0.17 2.91 -0.51 3.97 1.51 -0.61 -5.00 117.35 119.45 1fd7 s TYR 18 Ca 0.20 -1.11 -0.22 0.00 -1.01 0.00 0.00 57.07 54.93 1fd7 s TYR 18 Cb -0.14 -2.05 0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1fd7 s TYR 18 CO 0.08 -0.61 0.78 0.99 -1.11 0.00 0.00 175.55 175.69 1fd7 s THR 19 N 1.41 4.63 -0.11 -0.71 2.01 -1.26 -1.86 115.64 119.76 1fd7 s THR 19 Ca 0.05 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1fd7 s THR 19 Cb -0.14 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 1fd7 s THR 19 CO -0.06 -0.90 0.29 0.40 -0.69 0.00 0.00 174.62 173.66 1fd7 h ILE 20 N 5.95 0.59 -6.34 1.82 1.08 0.26 -3.49 117.51 117.37 1fd7 h ILE 20 Ca -0.26 -1.41 -0.46 0.00 -0.39 0.00 0.00 64.86 62.33 1fd7 h ILE 20 Cb 1.08 1.10 0.02 0.00 -3.07 0.00 0.00 36.82 35.96 1fd7 h ILE 20 CO 1.01 0.20 -0.90 0.59 -0.69 0.00 0.00 178.15 178.35 1fd7 n ASN 21 N -4.74 -2.51 -3.69 1.72 4.13 0.02 -4.97 115.26 105.22 1fd7 n ASN 21 Ca -0.04 -0.99 -0.04 0.00 1.68 0.00 0.00 54.58 55.19 1fd7 n ASN 21 Cb 0.16 -3.28 -0.01 0.00 -1.54 0.00 0.00 39.78 35.11 1fd7 n ASN 21 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1fd7 s ASP 22 N -3.99 -0.22 0.51 6.41 2.15 -0.75 -4.93 116.67 115.85 1fd7 s ASP 22 Ca 0.20 -0.30 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 1fd7 s ASP 22 Cb -0.07 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 1fd7 s ASP 22 CO 0.87 -0.82 0.81 -1.59 -0.17 0.00 0.00 175.17 174.27 1fd7 s LYS 23 N -3.22 3.30 0.27 4.34 -2.85 -1.26 -0.85 119.74 119.47 1fd7 s LYS 23 Ca 0.11 0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.86 1fd7 s LYS 23 Cb -0.01 -2.36 -0.10 0.00 -2.06 0.00 0.00 37.83 33.30 1fd7 s LYS 23 CO -0.01 -0.37 1.31 0.42 0.10 0.00 0.00 175.35 176.80 1fd7 s ILE 24 N -2.81 2.92 -0.16 3.79 1.01 -1.26 -4.72 121.20 119.97 1fd7 s ILE 24 Ca 0.50 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.75 1fd7 s ILE 24 Cb -0.10 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.61 1fd7 s ILE 24 CO 0.44 0.17 0.54 0.25 0.00 0.00 0.00 174.94 176.35 1fd7 h LEU 25 N 4.26 0.00 -8.12 2.97 6.46 -1.29 -3.48 115.31 116.11 1fd7 h LEU 25 Ca -0.47 -0.77 -0.17 0.00 -0.12 0.00 0.00 57.88 56.35 1fd7 h LEU 25 Cb 1.22 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 40.96 1fd7 h LEU 25 CO 0.71 1.09 -0.70 -0.94 -0.62 0.00 0.00 178.44 177.98 1fd7 s SER 26 N -6.33 0.46 -0.11 1.25 1.04 -1.09 -4.98 113.70 103.94 1fd7 s SER 26 Ca -0.20 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.53 1fd7 s SER 26 Cb -0.00 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1fd7 s SER 26 CO 0.60 -0.40 -0.12 -0.47 0.98 0.00 0.00 173.24 173.84 1fd7 s TYR 27 N -2.41 1.76 -0.03 5.02 6.14 -1.26 -1.82 117.35 124.75 1fd7 s TYR 27 Ca -0.06 -0.85 0.07 0.00 0.64 0.00 0.00 57.07 56.87 1fd7 s TYR 27 Cb -0.03 -1.33 -0.02 0.00 0.42 0.00 0.00 41.96 41.00 1fd7 s TYR 27 CO -0.04 -0.49 -0.25 0.99 0.64 0.00 0.00 175.55 176.40 1fd7 s THR 28 N 1.26 1.98 -0.03 4.34 2.01 0.23 -4.99 115.64 120.43 1fd7 s THR 28 Ca -0.02 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1fd7 s THR 28 Cb -0.14 -1.65 0.03 0.00 0.01 0.00 0.00 72.50 70.75 1fd7 s THR 28 CO -0.05 0.56 -0.00 -0.70 -0.69 0.00 0.00 174.62 173.74 1fd7 s GLU 29 N -0.46 0.33 -0.00 4.92 2.12 -1.26 -0.50 118.70 123.84 1fd7 s GLU 29 Ca 0.06 0.06 0.06 0.00 0.36 0.00 0.00 54.97 55.51 1fd7 s GLU 29 Cb -0.11 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 1fd7 s GLU 29 CO 0.00 -0.13 -0.18 0.45 -0.54 0.00 0.00 175.26 174.87 1fd7 s SER 30 N 0.97 2.08 -0.11 -1.70 0.15 -0.63 -4.99 113.70 109.48 1fd7 s SER 30 Ca -0.10 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 56.34 1fd7 s SER 30 Cb -0.13 -0.22 0.40 0.00 -1.71 0.00 0.00 66.02 64.36 1fd7 s SER 30 CO -0.02 0.20 1.31 1.15 1.20 0.00 0.00 173.24 177.09 1fd7 n MET 31 N 2.52 2.73 -2.23 5.44 0.00 -1.26 -2.81 117.12 121.51 1fd7 n MET 31 Ca -0.15 -2.49 -0.36 0.00 0.00 0.00 0.00 57.70 54.70 1fd7 n MET 31 Cb 0.54 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 32.18 1fd7 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fd7 s ALA 32 N -2.17 2.76 0.06 3.17 0.00 -1.26 -4.88 121.76 119.45 1fd7 s ALA 32 Ca 0.32 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 1fd7 s ALA 32 Cb 0.25 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1fd7 s ALA 32 CO 0.09 -0.79 1.80 0.20 0.00 0.00 0.00 175.76 177.07 1fd7 s GLY 33 N -1.62 1.45 0.00 0.00 0.00 -1.26 -0.78 107.32 105.11 1fd7 s GLY 33 Ca 0.71 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.72 1fd7 s GLY 33 CO 0.30 3.15 0.00 1.17 0.00 0.00 0.00 173.10 177.73 1fd7 n LYS 34 N 6.34 -0.53 -2.06 2.90 4.81 -1.26 -4.81 118.16 123.55 1fd7 n LYS 34 Ca 0.18 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.74 1fd7 n LYS 34 Cb 0.40 -3.53 0.05 0.00 0.02 0.00 0.00 35.03 31.97 1fd7 n LYS 34 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1fd7 n ARG 35 N -1.92 1.31 -2.54 1.64 5.12 0.04 -4.96 116.66 115.34 1fd7 n ARG 35 Ca 0.00 -3.03 -0.41 0.00 -1.93 0.00 0.00 57.85 52.49 1fd7 n ARG 35 Cb 0.13 -1.11 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 1fd7 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1fd7 s GLU 36 N -2.37 3.58 0.25 5.56 8.01 -1.14 -4.29 118.70 128.30 1fd7 s GLU 36 Ca 0.33 -1.15 -0.16 0.00 0.01 0.00 0.00 54.97 54.00 1fd7 s GLU 36 Cb 0.36 -5.36 0.01 0.00 -4.31 0.00 0.00 34.13 24.83 1fd7 s GLU 36 CO -0.08 -2.26 0.57 0.00 0.01 0.00 0.00 175.26 173.50 1fd7 s MET 37 N 5.00 1.61 -0.01 1.61 0.23 -1.12 -4.18 119.30 122.44 1fd7 s MET 37 Ca 0.47 -1.09 0.04 0.00 -1.03 0.00 0.00 55.69 54.08 1fd7 s MET 37 Cb 0.00 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.82 1fd7 s MET 37 CO -0.08 -0.70 -0.14 0.08 -2.03 0.00 0.00 175.02 172.15 1fd7 s VAL 38 N -3.96 1.08 -0.08 5.16 1.01 -1.22 -1.60 120.40 120.80 1fd7 s VAL 38 Ca 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1fd7 s VAL 38 Cb -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1fd7 s VAL 38 CO 0.06 0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.64 1fd7 s ILE 39 N -0.36 1.55 0.11 2.22 1.01 0.34 -0.83 121.20 125.23 1fd7 s ILE 39 Ca 0.05 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1fd7 s ILE 39 Cb -0.05 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1fd7 s ILE 39 CO -0.00 0.45 -0.21 0.27 0.00 0.00 0.00 174.94 175.44 1fd7 s ILE 40 N 0.44 2.62 0.15 2.92 -4.36 -0.36 -0.60 121.20 122.01 1fd7 s ILE 40 Ca -0.15 -1.53 0.05 0.00 -0.26 0.00 0.00 60.65 58.77 1fd7 s ILE 40 Cb -0.16 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 1fd7 s ILE 40 CO 0.06 0.15 -0.11 0.42 0.24 0.00 0.00 174.94 175.69 1fd7 s THR 41 N -1.07 1.27 0.20 8.37 -4.23 -0.75 -1.20 115.64 118.24 1fd7 s THR 41 Ca 0.16 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1fd7 s THR 41 Cb -0.10 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 1fd7 s THR 41 CO 0.08 -0.68 -0.15 -0.36 -0.54 0.00 0.00 174.62 172.96 1fd7 s PHE 42 N -3.11 1.77 0.55 3.99 0.08 -0.53 -0.76 117.98 119.98 1fd7 s PHE 42 Ca 0.16 -0.54 0.28 0.00 0.12 0.00 0.00 56.93 56.96 1fd7 s PHE 42 Cb 0.01 -0.82 1.46 0.00 -0.57 0.00 0.00 43.02 43.10 1fd7 s PHE 42 CO 0.02 0.38 1.94 0.87 -0.10 0.00 0.00 175.22 178.33 1fd7 h LYS 43 N 2.65 0.00 0.00 0.44 6.56 -1.89 0.25 116.57 124.58 1fd7 h LYS 43 Ca -0.39 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1fd7 h LYS 43 Cb 1.22 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1fd7 h LYS 43 CO 0.60 0.00 -0.02 0.66 -2.06 0.00 0.00 179.45 178.63 1fd7 h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.98 -3.46 113.55 113.61 1fd7 h SER 44 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1fd7 h SER 44 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1fd7 h SER 44 CO -0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1fd7 n GLY 45 N -0.49 0.52 3.77 -0.77 0.00 0.87 -5.06 105.19 104.02 1fd7 n GLY 45 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1fd7 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fd7 s GLU 46 N -0.82 4.48 -0.02 1.61 0.41 -1.25 -4.83 118.70 118.28 1fd7 s GLU 46 Ca 0.00 1.58 0.04 0.00 -0.41 0.00 0.00 54.97 56.17 1fd7 s GLU 46 Cb 0.00 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1fd7 s GLU 46 CO 0.00 0.13 -0.13 0.99 -0.49 0.00 0.00 175.26 175.77 1fd7 s THR 47 N -1.42 1.05 0.10 3.63 2.01 -1.26 -1.45 115.64 118.30 1fd7 s THR 47 Ca 0.50 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1fd7 s THR 47 Cb -0.25 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1fd7 s THR 47 CO 0.32 0.31 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.13 1fd7 s PHE 48 N -0.07 0.91 0.17 4.92 0.08 -0.34 -4.00 117.98 119.66 1fd7 s PHE 48 Ca 0.01 -0.92 0.06 0.00 0.12 0.00 0.00 56.93 56.20 1fd7 s PHE 48 Cb -0.08 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1fd7 s PHE 48 CO 0.00 -0.15 -0.12 1.14 -0.10 0.00 0.00 175.22 175.99 1fd7 s GLN 49 N -3.84 1.17 -0.31 0.44 -2.07 -0.52 -1.23 119.66 113.31 1fd7 s GLN 49 Ca 0.13 -1.50 -0.10 0.00 -1.82 0.00 0.00 55.36 52.06 1fd7 s GLN 49 Cb 0.05 -0.85 -0.02 0.00 -1.09 0.00 0.00 33.01 31.11 1fd7 s GLN 49 CO -0.04 0.13 0.17 0.08 -1.32 0.00 0.00 175.29 174.31 1fd7 s VAL 50 N -3.12 4.85 0.75 3.63 1.01 -0.01 -0.83 120.40 126.69 1fd7 s VAL 50 Ca 0.19 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1fd7 s VAL 50 Cb 0.01 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1fd7 s VAL 50 CO 0.03 0.10 1.10 -1.61 0.00 0.00 0.00 175.10 174.72 1fd7 s GLU 51 N 1.66 2.33 0.34 2.72 2.02 -1.26 -3.39 118.70 123.13 1fd7 s GLU 51 Ca 0.05 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.99 1fd7 s GLU 51 Cb -0.17 -1.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 1fd7 s GLU 51 CO 0.08 -1.59 1.48 0.08 0.02 0.00 0.00 175.26 175.32 1fd7 s VAL 52 N -2.77 2.23 0.18 2.63 1.01 -1.26 -4.89 120.40 117.53 1fd7 s VAL 52 Ca 0.63 0.22 -0.32 0.00 0.00 0.00 0.00 61.98 62.51 1fd7 s VAL 52 Cb -0.18 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.95 1fd7 s VAL 52 CO 0.53 0.05 1.61 -2.84 0.00 0.00 0.00 175.10 174.44 1fd7 s PRO 53 N -1.51 4.19 0.00 2.72 0.02 -1.26 -4.96 135.00 134.19 1fd7 s PRO 53 Ca 0.55 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1fd7 s PRO 53 Cb -0.45 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1fd7 s PRO 53 CO 0.56 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 1fd7 n GLY 54 N 3.74 3.76 0.08 0.52 0.00 -1.26 -5.03 105.19 107.00 1fd7 n GLY 54 Ca 0.14 -1.17 0.10 0.00 0.00 0.00 0.00 46.02 45.09 1fd7 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fd7 n SER 55 N -0.62 0.40 0.18 1.61 3.41 -1.26 -1.16 113.62 116.18 1fd7 n SER 55 Ca 0.00 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1fd7 n SER 55 Cb 0.00 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 63.56 1fd7 n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1fd7 h GLN 56 N 0.00 0.00 -6.82 4.33 -0.00 -1.97 -3.46 115.11 107.19 1fd7 h GLN 56 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1fd7 h GLN 56 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1fd7 h GLN 56 CO 0.00 0.00 0.11 -1.01 -0.00 0.00 0.00 178.83 177.93 1fd7 s HIS 57 N -3.19 3.46 0.37 0.06 3.76 -0.31 -5.09 115.29 114.35 1fd7 s HIS 57 Ca 0.08 1.04 0.08 0.00 -0.15 0.00 0.00 55.06 56.11 1fd7 s HIS 57 Cb 0.08 -2.44 -0.02 0.00 1.11 0.00 0.00 32.58 31.31 1fd7 s HIS 57 CO 0.63 -0.08 0.32 0.96 -0.85 0.00 0.00 174.74 175.72 1fd7 s ILE 58 N -2.33 3.19 0.28 0.60 -4.36 -1.26 -4.94 121.20 112.37 1fd7 s ILE 58 Ca 0.51 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 1fd7 s ILE 58 Cb -0.10 -3.11 0.28 0.00 1.25 0.00 0.00 42.46 40.78 1fd7 s ILE 58 CO 0.30 -0.11 1.86 -0.78 0.24 0.00 0.00 174.94 176.46 1fd7 h ASP 59 N 1.17 0.96 0.30 4.36 3.58 -1.99 -0.17 116.42 124.63 1fd7 h ASP 59 Ca -0.43 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1fd7 h ASP 59 Cb 1.26 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1fd7 h ASP 59 CO 0.58 0.56 0.00 0.77 -2.88 0.00 0.00 179.24 178.27 1fd7 h SER 60 N 1.05 0.00 1.51 2.28 4.64 -2.05 -0.56 113.55 120.44 1fd7 h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1fd7 h SER 60 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1fd7 h SER 60 CO -0.22 0.00 -0.21 1.56 -0.87 0.00 0.00 176.83 177.10 1fd7 h GLN 61 N 0.00 0.00 0.04 4.77 4.20 -1.41 -3.37 115.11 119.34 1fd7 h GLN 61 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1fd7 h GLN 61 Cb 0.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1fd7 h GLN 61 CO 0.00 0.00 -0.22 0.87 -0.67 0.00 0.00 178.83 178.81 1fd7 h LYS 62 N 0.00 -0.36 -0.12 1.46 6.56 -1.13 0.25 116.57 123.23 1fd7 h LYS 62 Ca 0.00 0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.51 1fd7 h LYS 62 Cb 0.86 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.59 1fd7 h LYS 62 CO 0.00 -0.24 -0.37 0.87 -2.06 0.00 0.00 179.45 177.65 1fd7 h LYS 63 N -0.37 0.25 0.00 3.15 1.57 -1.76 -2.82 116.57 116.58 1fd7 h LYS 63 Ca 0.05 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1fd7 h LYS 63 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1fd7 h LYS 63 CO -0.17 0.59 -0.42 0.00 -0.57 0.00 0.00 179.45 178.88 1fd7 h ALA 64 N 1.40 1.21 -0.22 3.86 0.00 -1.58 0.31 119.26 124.24 1fd7 h ALA 64 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1fd7 h ALA 64 Cb 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fd7 h ALA 64 CO 0.06 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.67 1fd7 h ILE 65 N 0.00 1.24 -0.23 0.00 2.04 -0.28 -0.47 117.51 119.82 1fd7 h ILE 65 Ca -0.00 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 1fd7 h ILE 65 Cb 0.79 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1fd7 h ILE 65 CO 0.05 0.26 -0.22 -0.33 0.00 0.00 0.00 178.15 177.92 1fd7 h GLU 66 N 0.16 0.42 -0.27 2.37 4.39 -1.23 -2.57 114.58 117.86 1fd7 h GLU 66 Ca 0.06 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1fd7 h GLU 66 Cb 0.37 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1fd7 h GLU 66 CO 0.01 0.62 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.37 1fd7 h ARG 67 N 0.38 0.48 -0.99 2.33 2.43 -0.59 -1.30 114.38 117.12 1fd7 h ARG 67 Ca 0.06 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1fd7 h ARG 67 Cb 0.60 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1fd7 h ARG 67 CO 0.04 0.66 0.64 1.98 -1.51 0.00 0.00 179.97 181.77 1fd7 h MET 68 N 0.25 1.31 -0.42 0.20 4.05 -0.81 0.28 114.93 119.79 1fd7 h MET 68 Ca 0.07 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1fd7 h MET 68 Cb 0.45 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1fd7 h MET 68 CO 0.02 0.88 -0.03 0.87 0.23 0.00 0.00 176.91 178.88 1fd7 h LYS 69 N 1.35 0.69 0.19 0.39 1.57 -1.39 -0.81 116.57 118.56 1fd7 h LYS 69 Ca 0.36 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1fd7 h LYS 69 Cb -0.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1fd7 h LYS 69 CO -0.07 0.73 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.00 1fd7 h ASP 70 N 0.65 -0.22 -0.52 0.86 3.32 0.04 -1.94 116.42 118.61 1fd7 h ASP 70 Ca 0.13 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1fd7 h ASP 70 Cb 0.44 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1fd7 h ASP 70 CO 0.02 -0.15 0.27 0.74 -1.72 0.00 0.00 179.24 178.40 1fd7 h THR 71 N -0.26 0.97 -0.79 0.35 2.02 -0.19 -2.15 112.91 112.86 1fd7 h THR 71 Ca -0.03 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1fd7 h THR 71 Cb 0.20 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1fd7 h THR 71 CO 0.04 0.10 0.52 -0.07 0.37 0.00 0.00 175.52 176.48 1fd7 h LEU 72 N 0.53 0.90 0.22 2.58 3.38 -1.04 -0.76 115.31 121.13 1fd7 h LEU 72 Ca 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1fd7 h LEU 72 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1fd7 h LEU 72 CO -0.15 0.65 -0.15 -0.09 0.09 0.00 0.00 178.44 178.80 1fd7 h ARG 73 N 1.06 -0.35 0.00 1.13 2.43 -1.19 -0.07 114.38 117.39 1fd7 h ARG 73 Ca 0.29 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1fd7 h ARG 73 Cb -0.11 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1fd7 h ARG 73 CO -0.07 -0.23 -0.24 0.97 -1.51 0.00 0.00 179.97 178.89 1fd7 h ILE 74 N -0.36 0.62 -0.28 1.20 6.09 -1.18 -1.63 117.51 121.96 1fd7 h ILE 74 Ca -0.02 -1.12 -0.09 0.00 -1.37 0.00 0.00 64.86 62.26 1fd7 h ILE 74 Cb 0.31 1.74 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 1fd7 h ILE 74 CO 0.01 0.24 -0.19 0.74 -3.07 0.00 0.00 178.15 175.88 1fd7 h THR 75 N 0.00 1.30 0.51 2.19 2.02 -1.05 -1.73 112.91 116.15 1fd7 h THR 75 Ca -0.00 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 1fd7 h THR 75 Cb 0.72 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1fd7 h THR 75 CO 0.03 0.42 -0.25 0.22 0.37 0.00 0.00 175.52 176.31 1fd7 h TYR 76 N 0.37 -0.64 -0.34 3.16 3.20 -0.53 -1.55 116.97 120.64 1fd7 h TYR 76 Ca 0.06 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.95 1fd7 h TYR 76 Cb 0.72 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1fd7 h TYR 76 CO 0.07 -0.40 0.23 -0.07 -1.64 0.00 0.00 178.16 176.35 1fd7 h LEU 77 N -0.69 0.25 -0.78 2.82 3.38 -1.22 -1.90 115.31 117.18 1fd7 h LEU 77 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1fd7 h LEU 77 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1fd7 h LEU 77 CO 0.11 0.17 -0.24 0.35 0.09 0.00 0.00 178.44 178.93 1fd7 n THR 78 N -4.49 0.00 -3.63 0.22 -2.24 -0.66 -4.94 114.28 98.54 1fd7 n THR 78 Ca 0.03 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 1fd7 n THR 78 Cb 0.19 0.66 0.07 0.00 -2.10 0.00 0.00 70.33 69.15 1fd7 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fd7 n GLU 79 N -0.24 -6.95 -3.00 -0.78 1.02 -0.71 -4.94 120.64 105.04 1fd7 n GLU 79 Ca 0.13 0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 1fd7 n GLU 79 Cb 0.39 -5.74 -0.05 0.00 -0.02 0.00 0.00 31.44 26.02 1fd7 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1fd7 s THR 80 N -3.36 4.90 0.07 2.62 2.01 -0.64 -4.86 115.64 116.38 1fd7 s THR 80 Ca 0.42 1.56 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 1fd7 s THR 80 Cb -0.20 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.16 1fd7 s THR 80 CO 0.76 0.30 1.26 -0.54 -0.69 0.00 0.00 174.62 175.70 1fd7 s LYS 81 N 0.42 4.39 -0.05 4.92 1.02 -1.26 -4.39 119.74 124.79 1fd7 s LYS 81 Ca 0.39 1.86 -0.17 0.00 0.02 0.00 0.00 55.97 58.08 1fd7 s LYS 81 Cb -0.19 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1fd7 s LYS 81 CO 0.21 -0.32 0.45 0.42 -0.92 0.00 0.00 175.35 175.19 1fd7 s ILE 82 N 1.12 5.08 0.00 2.17 1.01 -0.03 -4.28 121.20 126.27 1fd7 s ILE 82 Ca 0.61 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1fd7 s ILE 82 Cb -0.32 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1fd7 s ILE 82 CO 0.29 0.46 0.00 -0.67 0.00 0.00 0.00 174.94 175.02 1fd7 n ASP 83 N 2.71 0.00 -4.37 3.58 2.03 -0.12 -0.80 116.55 119.59 1fd7 n ASP 83 Ca -0.10 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.00 1fd7 n ASP 83 Cb 0.52 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.82 1fd7 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1fd7 s LYS 84 N 0.00 1.41 -0.04 -0.67 1.02 -1.18 0.87 119.74 121.15 1fd7 s LYS 84 Ca 0.00 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 54.43 1fd7 s LYS 84 Cb 0.00 -1.30 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 1fd7 s LYS 84 CO 0.00 0.23 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.95 1fd7 s LEU 85 N -3.29 1.99 -0.28 3.17 1.43 -0.78 -1.01 118.68 119.92 1fd7 s LEU 85 Ca 0.24 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1fd7 s LEU 85 Cb -0.02 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 1fd7 s LEU 85 CO 0.09 0.21 0.12 0.00 0.23 0.00 0.00 176.35 177.00 1fd7 s VAL 87 N 1.64 1.53 0.01 0.00 -7.23 -0.37 -0.35 120.40 115.63 1fd7 s VAL 87 Ca 0.06 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.14 1fd7 s VAL 87 Cb -0.16 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1fd7 s VAL 87 CO 0.06 -0.40 0.80 0.26 -0.31 0.00 0.00 175.10 175.51 1fd7 s TRP 88 N -2.18 3.69 -1.26 2.82 0.51 0.56 -1.63 118.94 121.43 1fd7 s TRP 88 Ca 0.12 1.48 0.18 0.00 -2.12 0.00 0.00 56.10 55.76 1fd7 s TRP 88 Cb -0.05 -2.89 0.58 0.00 -0.81 0.00 0.00 33.47 30.30 1fd7 s TRP 88 CO 0.04 0.17 1.49 0.27 -0.51 0.00 0.00 176.95 178.41 1fd7 n ASN 89 N 3.25 3.97 -1.94 2.95 0.23 0.13 -1.95 115.26 121.91 1fd7 n ASN 89 Ca -0.00 -2.24 -0.00 0.00 -0.53 0.00 0.00 54.58 51.80 1fd7 n ASN 89 Cb 0.51 -0.46 0.34 0.00 -2.08 0.00 0.00 39.78 38.09 1fd7 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1fd7 n ASN 90 N 1.00 5.18 -4.12 0.53 2.04 -1.26 -4.87 115.26 113.76 1fd7 n ASN 90 Ca 0.21 -3.06 -0.12 0.00 -0.44 0.00 0.00 54.58 51.18 1fd7 n ASN 90 Cb 0.69 -0.72 -0.11 0.00 -2.53 0.00 0.00 39.78 37.12 1fd7 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1fd7 s LYS 91 N -2.83 0.69 -0.08 -3.83 -0.14 -1.26 -5.09 119.74 107.21 1fd7 s LYS 91 Ca 0.53 -1.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 1fd7 s LYS 91 Cb 0.42 -0.23 0.02 0.00 -1.68 0.00 0.00 37.83 36.36 1fd7 s LYS 91 CO 0.14 0.01 -0.07 0.99 -0.76 0.00 0.00 175.35 175.66 1fd7 s THR 92 N -2.65 0.84 1.00 2.17 2.01 -1.26 -2.69 115.64 115.06 1fd7 s THR 92 Ca 0.02 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1fd7 s THR 92 Cb -0.01 -0.85 0.19 0.00 0.01 0.00 0.00 72.50 71.83 1fd7 s THR 92 CO -0.03 0.31 1.08 -2.16 -0.69 0.00 0.00 174.62 173.14 1fd7 s PRO 93 N 1.29 0.43 0.39 4.92 0.04 -1.26 -5.06 135.00 135.75 1fd7 s PRO 93 Ca -0.04 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 61.60 1fd7 s PRO 93 Cb -0.14 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1fd7 s PRO 93 CO -0.03 -2.82 1.23 0.09 0.04 0.00 0.00 177.00 175.51 1fd7 n ASN 94 N -4.29 2.41 -4.75 6.66 5.03 -1.10 -4.53 115.26 114.70 1fd7 n ASN 94 Ca 0.06 1.14 -0.36 0.00 0.87 0.00 0.00 54.58 56.29 1fd7 n ASN 94 Cb 0.55 -1.47 -0.07 0.00 -1.02 0.00 0.00 39.78 37.77 1fd7 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1fd7 s SER 95 N -0.48 6.31 -0.02 6.41 0.15 -0.82 -1.44 113.70 123.80 1fd7 s SER 95 Ca 0.59 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 1fd7 s SER 95 Cb -0.54 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1fd7 s SER 95 CO 0.59 0.18 1.12 -0.63 1.20 0.00 0.00 173.24 175.70 1fd7 s ILE 96 N 0.24 4.42 -0.16 6.45 1.01 -0.01 -0.33 121.20 132.83 1fd7 s ILE 96 Ca 0.12 1.73 0.08 0.00 0.00 0.00 0.00 60.65 62.58 1fd7 s ILE 96 Cb -0.12 -4.11 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 1fd7 s ILE 96 CO 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 174.94 174.97 1fd7 n ALA 97 N 4.59 1.63 -3.27 9.38 0.00 0.52 -4.85 120.51 128.51 1fd7 n ALA 97 Ca 0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1fd7 n ALA 97 Cb 0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 1fd7 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fd7 s ALA 98 N -2.36 -1.30 0.06 0.00 0.00 -1.02 -4.97 121.76 112.17 1fd7 s ALA 98 Ca -0.15 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1fd7 s ALA 98 Cb 0.05 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1fd7 s ALA 98 CO 0.52 -0.56 -0.07 -1.50 0.00 0.00 0.00 175.76 174.15 1fd7 s ILE 99 N -2.83 0.56 0.03 0.00 2.07 -1.26 -0.67 121.20 119.11 1fd7 s ILE 99 Ca -0.03 -1.44 0.01 0.00 -1.41 0.00 0.00 60.65 57.78 1fd7 s ILE 99 Cb -0.00 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.51 1fd7 s ILE 99 CO -0.05 -0.61 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.37 1fd7 s SER 100 N -2.21 0.59 0.01 4.50 1.04 -0.18 -4.99 113.70 112.47 1fd7 s SER 100 Ca -0.01 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1fd7 s SER 100 Cb -0.03 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1fd7 s SER 100 CO -0.02 -0.25 -0.03 -0.04 0.98 0.00 0.00 173.24 173.88 1fd7 s MET 101 N -1.56 0.26 -0.03 4.02 -1.94 -1.26 -0.94 119.30 117.85 1fd7 s MET 101 Ca -0.12 -0.36 -0.07 0.00 -1.71 0.00 0.00 55.69 53.42 1fd7 s MET 101 Cb -0.10 -0.08 0.01 0.00 2.01 0.00 0.00 34.83 36.67 1fd7 s MET 101 CO -0.00 0.01 0.16 -1.59 -0.01 0.00 0.00 175.02 173.59 1fd7 s LYS 102 N -0.78 0.37 0.00 2.03 -2.85 -1.26 -4.91 119.74 112.34 1fd7 s LYS 102 Ca -0.07 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1fd7 s LYS 102 Cb -0.05 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 1fd7 s LYS 102 CO -0.00 -0.08 0.41 -1.71 0.10 0.00 0.00 175.35 174.07