#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 0.88 0.00 0.00 -0.02 -1.26 -4.94 135.00 129.66 1fd7 n PRO 2 Ca 0.00 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1fd7 n PRO 2 Cb 0.00 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 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 -1.86 3.17 -4.07 -0.52 6.02 -1.26 -4.98 117.38 113.88 1fd7 n GLN 3 Ca 0.15 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1fd7 n GLN 3 Cb 0.48 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.61 1fd7 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fd7 s THR 4 N -1.98 0.21 0.34 5.09 -4.23 -1.26 -5.03 115.64 108.78 1fd7 s THR 4 Ca 0.05 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1fd7 s THR 4 Cb 0.09 -1.45 0.10 0.00 1.34 0.00 0.00 72.50 72.57 1fd7 s THR 4 CO 0.44 -0.96 1.81 -0.29 -0.54 0.00 0.00 174.62 175.08 1fd7 h ILE 5 N 3.19 1.24 -0.37 2.99 2.10 -1.96 -1.77 117.51 122.93 1fd7 h ILE 5 Ca -0.34 -1.14 -0.10 0.00 1.08 0.00 0.00 64.86 64.36 1fd7 h ILE 5 Cb 1.15 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 1fd7 h ILE 5 CO 0.64 0.34 -0.18 0.74 -1.08 0.00 0.00 178.15 178.62 1fd7 h THR 6 N 0.22 1.28 -0.62 2.19 2.02 -1.98 0.25 112.91 116.27 1fd7 h THR 6 Ca 0.03 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 1fd7 h THR 6 Cb 0.58 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1fd7 h THR 6 CO 0.04 0.43 0.28 -0.08 0.37 0.00 0.00 175.52 176.56 1fd7 h GLU 7 N 0.56 0.90 -0.40 6.66 4.81 -1.91 -1.05 114.58 124.15 1fd7 h GLU 7 Ca 0.08 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1fd7 h GLU 7 Cb 0.72 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1fd7 h GLU 7 CO 0.05 0.74 -0.15 1.25 -0.73 0.00 0.00 179.01 180.18 1fd7 h LEU 8 N 0.85 0.82 -0.97 1.64 6.46 -1.00 -3.12 115.31 120.00 1fd7 h LEU 8 Ca 0.21 -0.39 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1fd7 h LEU 8 Cb 0.15 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 1fd7 h LEU 8 CO -0.02 1.02 0.51 0.00 -0.62 0.00 0.00 178.44 179.33 1fd7 h SER 10 N 1.24 0.00 1.01 0.00 0.02 -1.13 -1.35 113.55 113.34 1fd7 h SER 10 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1fd7 h SER 10 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1fd7 h SER 10 CO -0.05 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.02 1fd7 n GLU 11 N -2.56 0.15 -4.43 3.45 1.02 -0.80 -4.84 120.64 112.63 1fd7 n GLU 11 Ca -0.01 0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 57.05 1fd7 n GLU 11 Cb 0.11 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.13 2.94 0.44 -0.32 1.51 -0.51 -5.12 117.35 113.16 1fd7 s TYR 12 Ca 0.09 -0.00 -0.21 0.00 -1.01 0.00 0.00 57.07 55.94 1fd7 s TYR 12 Cb 0.12 -1.63 -0.10 0.00 -0.11 0.00 0.00 41.96 40.23 1fd7 s TYR 12 CO 0.47 0.39 0.97 1.03 -1.11 0.00 0.00 175.55 177.30 1fd7 s ARG 13 N -1.39 4.14 -1.37 -0.62 3.00 -1.26 -4.01 118.95 117.43 1fd7 s ARG 13 Ca 0.17 1.15 -0.08 0.00 0.00 0.00 0.00 55.73 56.97 1fd7 s ARG 13 Cb -0.11 -2.16 0.03 0.00 0.00 0.00 0.00 34.95 32.70 1fd7 s ARG 13 CO 0.08 -0.11 1.07 0.09 0.00 0.00 0.00 175.30 176.42 1fd7 n ASN 14 N -0.76 -4.88 -4.52 0.23 4.13 -1.26 -4.94 115.26 103.26 1fd7 n ASN 14 Ca 0.07 -0.63 -0.25 0.00 1.68 0.00 0.00 54.58 55.45 1fd7 n ASN 14 Cb 0.54 -4.69 -0.10 0.00 -1.54 0.00 0.00 39.78 33.98 1fd7 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1fd7 s THR 15 N -3.35 2.09 -0.23 3.41 -4.23 -1.26 -0.80 115.64 111.28 1fd7 s THR 15 Ca 0.47 -2.19 -0.18 0.00 -1.18 0.00 0.00 61.69 58.61 1fd7 s THR 15 Cb -0.21 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.09 1fd7 s THR 15 CO 0.76 -0.22 0.58 -1.58 -0.54 0.00 0.00 174.62 173.62 1fd7 s GLN 16 N -3.64 0.65 -0.12 3.99 0.74 -0.15 -4.87 119.66 116.26 1fd7 s GLN 16 Ca 0.32 0.89 -0.19 0.00 0.05 0.00 0.00 55.36 56.44 1fd7 s GLN 16 Cb 0.03 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 1fd7 s GLN 16 CO 0.15 -0.11 0.50 0.42 -0.55 0.00 0.00 175.29 175.71 1fd7 s ILE 17 N 0.71 5.17 -0.22 -2.34 -1.09 -1.26 -1.05 121.20 121.12 1fd7 s ILE 17 Ca -0.03 0.99 -0.06 0.00 -2.23 0.00 0.00 60.65 59.32 1fd7 s ILE 17 Cb -0.05 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1fd7 s ILE 17 CO -0.05 0.30 0.02 -0.31 -1.23 0.00 0.00 174.94 173.67 1fd7 s TYR 18 N 0.77 3.05 -0.71 3.97 1.51 0.40 -4.97 117.35 121.36 1fd7 s TYR 18 Ca 0.27 -0.49 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1fd7 s TYR 18 Cb -0.15 -2.13 0.10 0.00 -0.11 0.00 0.00 41.96 39.67 1fd7 s TYR 18 CO 0.11 -0.30 0.92 0.99 -1.11 0.00 0.00 175.55 176.16 1fd7 s THR 19 N 1.21 4.64 -0.14 -0.71 2.01 -1.26 -1.02 115.64 120.37 1fd7 s THR 19 Ca 0.04 -0.96 -0.22 0.00 0.31 0.00 0.00 61.69 60.86 1fd7 s THR 19 Cb -0.15 -4.64 -0.19 0.00 0.01 0.00 0.00 72.50 67.53 1fd7 s THR 19 CO 0.02 -1.35 0.54 0.40 -0.69 0.00 0.00 174.62 173.53 1fd7 h ILE 20 N 5.87 1.30 -6.35 1.82 1.08 -1.08 -3.49 117.51 116.65 1fd7 h ILE 20 Ca -0.16 -2.01 -0.47 0.00 -0.39 0.00 0.00 64.86 61.83 1fd7 h ILE 20 Cb 1.06 2.49 0.03 0.00 -3.07 0.00 0.00 36.82 37.34 1fd7 h ILE 20 CO 1.12 0.44 -0.92 -3.20 -0.69 0.00 0.00 178.15 174.90 1fd7 n ASN 21 N -4.63 -3.29 -3.50 1.72 5.15 -0.68 -4.95 115.26 105.07 1fd7 n ASN 21 Ca -0.10 -1.02 -0.09 0.00 -0.60 0.00 0.00 54.58 52.77 1fd7 n ASN 21 Cb 0.39 -3.20 -0.02 0.00 -0.53 0.00 0.00 39.78 36.42 1fd7 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1fd7 s ASP 22 N -3.83 -0.39 0.77 1.20 2.15 -0.76 -4.93 116.67 110.89 1fd7 s ASP 22 Ca 0.29 0.03 -0.11 0.00 0.43 0.00 0.00 52.55 53.19 1fd7 s ASP 22 Cb -0.11 0.40 0.06 0.00 -0.30 0.00 0.00 42.92 42.97 1fd7 s ASP 22 CO 0.87 -0.64 1.09 -1.59 -0.17 0.00 0.00 175.17 174.74 1fd7 s LYS 23 N -3.05 2.28 0.06 4.34 -2.85 -1.26 -1.46 119.74 117.80 1fd7 s LYS 23 Ca 0.04 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.43 1fd7 s LYS 23 Cb -0.01 -1.93 -0.05 0.00 -2.06 0.00 0.00 37.83 33.77 1fd7 s LYS 23 CO -0.09 -1.51 1.17 0.42 0.10 0.00 0.00 175.35 175.45 1fd7 s ILE 24 N -3.12 4.10 -0.12 3.79 1.01 -1.26 -4.74 121.20 120.86 1fd7 s ILE 24 Ca 0.60 1.53 -0.22 0.00 0.00 0.00 0.00 60.65 62.56 1fd7 s ILE 24 Cb -0.14 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.15 1fd7 s ILE 24 CO 0.54 0.13 0.64 0.25 0.00 0.00 0.00 174.94 176.50 1fd7 h LEU 25 N 6.68 -0.01 -8.74 2.97 5.85 -1.37 -3.48 115.31 117.20 1fd7 h LEU 25 Ca -0.42 -0.72 -0.39 0.00 0.84 0.00 0.00 57.88 57.19 1fd7 h LEU 25 Cb 1.21 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 1fd7 h LEU 25 CO 0.80 0.83 -0.73 -0.94 -0.34 0.00 0.00 178.44 178.06 1fd7 s SER 26 N -6.01 2.14 -0.06 1.25 1.04 -1.02 -4.96 113.70 106.09 1fd7 s SER 26 Ca -0.14 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1fd7 s SER 26 Cb -0.02 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1fd7 s SER 26 CO 0.53 -0.24 -0.04 -0.47 0.98 0.00 0.00 173.24 174.00 1fd7 s TYR 27 N -3.03 0.83 -0.03 5.02 5.04 -1.26 -1.96 117.35 121.95 1fd7 s TYR 27 Ca 0.18 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.58 1fd7 s TYR 27 Cb 0.00 -0.79 -0.00 0.00 0.35 0.00 0.00 41.96 41.52 1fd7 s TYR 27 CO 0.03 -0.28 -0.15 0.99 -1.34 0.00 0.00 175.55 174.80 1fd7 s THR 28 N 1.36 1.26 -0.03 4.34 2.01 0.30 -4.98 115.64 119.89 1fd7 s THR 28 Ca -0.04 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1fd7 s THR 28 Cb -0.13 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1fd7 s THR 28 CO -0.03 0.37 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.53 1fd7 s GLU 29 N 0.02 0.68 -0.04 4.92 2.12 -1.26 -0.44 118.70 124.69 1fd7 s GLU 29 Ca -0.02 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.25 1fd7 s GLU 29 Cb -0.10 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.58 1fd7 s GLU 29 CO 0.01 -0.04 -0.19 0.45 -0.54 0.00 0.00 175.26 174.96 1fd7 s SER 30 N 0.70 2.34 -0.09 -1.70 0.15 -0.15 -4.98 113.70 109.96 1fd7 s SER 30 Ca -0.09 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.31 1fd7 s SER 30 Cb -0.12 -0.63 0.36 0.00 -1.71 0.00 0.00 66.02 63.92 1fd7 s SER 30 CO -0.00 0.17 1.28 1.15 1.20 0.00 0.00 173.24 177.05 1fd7 n MET 31 N 3.08 2.74 -2.46 5.44 0.00 -1.26 -2.67 117.12 121.99 1fd7 n MET 31 Ca -0.18 -2.37 -0.40 0.00 0.00 0.00 0.00 57.70 54.75 1fd7 n MET 31 Cb 0.53 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.21 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 -1.94 3.41 0.17 3.17 0.00 -1.26 -4.84 121.76 120.47 1fd7 s ALA 32 Ca 0.29 0.91 -0.33 0.00 0.00 0.00 0.00 51.96 52.82 1fd7 s ALA 32 Cb 0.21 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1fd7 s ALA 32 CO 0.10 -0.18 1.59 0.41 0.00 0.00 0.00 175.76 177.67 1fd7 n GLY 33 N 1.25 1.16 3.18 0.00 0.00 -1.26 -1.21 105.19 108.31 1fd7 n GLY 33 Ca -0.01 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1fd7 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fd7 n LYS 34 N 3.40 0.00 -2.12 1.61 4.76 -1.26 -4.81 118.16 119.75 1fd7 n LYS 34 Ca 0.16 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.57 1fd7 n LYS 34 Cb 0.30 -2.80 0.05 0.00 -1.84 0.00 0.00 35.03 30.75 1fd7 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fd7 n ARG 35 N -2.00 1.77 -2.35 1.97 5.12 -0.35 -4.98 116.66 115.84 1fd7 n ARG 35 Ca 0.00 -3.31 -0.36 0.00 -1.93 0.00 0.00 57.85 52.25 1fd7 n ARG 35 Cb 0.00 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 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 -2.88 3.29 0.31 5.56 8.01 -1.15 -4.28 118.70 127.56 1fd7 s GLU 36 Ca 0.35 -1.44 -0.00 0.00 0.01 0.00 0.00 54.97 53.89 1fd7 s GLU 36 Cb 0.36 -5.37 -0.02 0.00 -4.31 0.00 0.00 34.13 24.79 1fd7 s GLU 36 CO -0.05 -2.95 0.35 0.00 0.01 0.00 0.00 175.26 172.62 1fd7 s MET 37 N 5.35 1.71 -0.04 1.61 0.23 -1.09 -4.22 119.30 122.85 1fd7 s MET 37 Ca 0.59 -1.77 0.05 0.00 -1.03 0.00 0.00 55.69 53.53 1fd7 s MET 37 Cb 0.01 0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 33.68 1fd7 s MET 37 CO 0.07 -0.67 -0.19 0.08 -2.03 0.00 0.00 175.02 172.28 1fd7 s VAL 38 N -3.45 1.55 -0.04 5.16 1.01 -1.23 -0.97 120.40 122.42 1fd7 s VAL 38 Ca 0.34 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1fd7 s VAL 38 Cb 0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1fd7 s VAL 38 CO 0.20 0.44 -0.20 -0.63 0.00 0.00 0.00 175.10 174.92 1fd7 s ILE 39 N -0.07 1.64 0.07 2.22 1.01 0.42 -1.12 121.20 125.36 1fd7 s ILE 39 Ca -0.02 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.86 1fd7 s ILE 39 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1fd7 s ILE 39 CO 0.02 0.47 -0.18 0.27 0.00 0.00 0.00 174.94 175.51 1fd7 s ILE 40 N -0.08 1.48 0.13 2.92 -4.36 0.86 -0.54 121.20 121.61 1fd7 s ILE 40 Ca -0.03 -1.30 0.05 0.00 -0.26 0.00 0.00 60.65 59.11 1fd7 s ILE 40 Cb -0.12 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1fd7 s ILE 40 CO 0.02 -0.00 -0.11 0.42 0.24 0.00 0.00 174.94 175.51 1fd7 s THR 41 N -1.02 1.18 0.29 8.37 -4.23 -0.83 -1.35 115.64 118.05 1fd7 s THR 41 Ca 0.04 -1.89 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1fd7 s THR 41 Cb -0.09 -1.67 -0.06 0.00 1.34 0.00 0.00 72.50 72.03 1fd7 s THR 41 CO 0.03 -0.62 -0.15 -0.36 -0.54 0.00 0.00 174.62 172.98 1fd7 s PHE 42 N -2.83 2.24 0.54 3.99 0.08 -0.77 -0.91 117.98 120.33 1fd7 s PHE 42 Ca 0.12 -0.45 0.29 0.00 0.12 0.00 0.00 56.93 57.02 1fd7 s PHE 42 Cb -0.01 -1.12 1.72 0.00 -0.57 0.00 0.00 43.02 43.05 1fd7 s PHE 42 CO 0.01 0.60 2.20 0.87 -0.10 0.00 0.00 175.22 178.80 1fd7 h LYS 43 N 2.21 0.00 -0.38 0.44 1.57 -1.90 -1.78 116.57 116.74 1fd7 h LYS 43 Ca -0.40 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1fd7 h LYS 43 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1fd7 h LYS 43 CO 0.64 0.04 0.32 0.66 -0.57 0.00 0.00 179.45 180.54 1fd7 h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.98 -3.45 113.55 113.62 1fd7 h SER 44 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fd7 h SER 44 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1fd7 h SER 44 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1fd7 n GLY 45 N -1.54 0.79 3.77 -0.77 0.00 -0.67 -5.08 105.19 101.69 1fd7 n GLY 45 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1fd7 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fd7 s GLU 46 N -0.43 4.36 -0.03 1.61 2.56 -1.25 -4.89 118.70 120.64 1fd7 s GLU 46 Ca 0.00 1.77 0.04 0.00 0.00 0.00 0.00 54.97 56.78 1fd7 s GLU 46 Cb 0.00 -2.90 -0.00 0.00 2.00 0.00 0.00 34.13 33.23 1fd7 s GLU 46 CO 0.00 -0.03 -0.13 0.99 -0.56 0.00 0.00 175.26 175.53 1fd7 s THR 47 N -1.34 1.10 0.04 -1.70 2.01 -1.26 -1.85 115.64 112.64 1fd7 s THR 47 Ca 0.51 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1fd7 s THR 47 Cb -0.30 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1fd7 s THR 47 CO 0.38 0.33 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.21 1fd7 s PHE 48 N 0.03 0.57 0.24 4.92 0.08 -0.46 -3.89 117.98 119.47 1fd7 s PHE 48 Ca -0.02 -0.54 0.08 0.00 0.12 0.00 0.00 56.93 56.58 1fd7 s PHE 48 Cb -0.09 -0.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.96 1fd7 s PHE 48 CO 0.01 -0.12 -0.13 1.14 -0.10 0.00 0.00 175.22 176.02 1fd7 s GLN 49 N -1.70 1.45 -0.27 0.44 -2.07 -0.76 -0.10 119.66 116.65 1fd7 s GLN 49 Ca -0.10 -1.67 -0.09 0.00 -1.82 0.00 0.00 55.36 51.67 1fd7 s GLN 49 Cb -0.09 -1.25 -0.04 0.00 -1.09 0.00 0.00 33.01 30.54 1fd7 s GLN 49 CO -0.00 0.17 0.14 0.08 -1.32 0.00 0.00 175.29 174.36 1fd7 s VAL 50 N -2.89 4.85 0.83 3.63 1.01 -0.28 -1.17 120.40 126.38 1fd7 s VAL 50 Ca 0.26 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1fd7 s VAL 50 Cb -0.00 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1fd7 s VAL 50 CO 0.10 0.26 1.11 -1.61 0.00 0.00 0.00 175.10 174.96 1fd7 s GLU 51 N 1.69 1.73 0.30 2.72 2.02 -1.26 -3.53 118.70 122.37 1fd7 s GLU 51 Ca 0.07 1.28 -0.30 0.00 0.02 0.00 0.00 54.97 56.04 1fd7 s GLU 51 Cb -0.16 -1.83 -0.11 0.00 0.10 0.00 0.00 34.13 32.13 1fd7 s GLU 51 CO 0.08 -2.05 1.53 0.08 0.02 0.00 0.00 175.26 174.92 1fd7 s VAL 52 N -2.81 2.21 0.26 2.63 1.01 -1.26 -4.91 120.40 117.53 1fd7 s VAL 52 Ca 0.63 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 1fd7 s VAL 52 Cb -0.19 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 1fd7 s VAL 52 CO 0.57 0.03 1.64 -2.84 0.00 0.00 0.00 175.10 174.50 1fd7 s PRO 53 N -0.82 4.12 0.00 2.72 0.02 -1.26 -4.94 135.00 134.83 1fd7 s PRO 53 Ca 0.60 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.21 1fd7 s PRO 53 Cb -0.46 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1fd7 s PRO 53 CO 0.50 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 1fd7 n GLY 54 N 2.80 3.01 0.29 0.52 0.00 -1.26 -5.04 105.19 105.51 1fd7 n GLY 54 Ca 0.11 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.24 1fd7 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fd7 h SER 55 N 0.00 0.00 1.22 1.61 4.64 -2.04 -1.37 113.55 117.62 1fd7 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fd7 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fd7 h SER 55 CO 0.00 0.03 0.00 0.06 -0.87 0.00 0.00 176.83 176.05 1fd7 h GLN 56 N 0.00 0.00 -6.52 4.77 -0.00 -1.96 -3.45 115.11 107.95 1fd7 h GLN 56 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1fd7 h GLN 56 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.54 1fd7 h GLN 56 CO 0.00 0.00 -0.09 -1.01 -0.00 0.00 0.00 178.83 177.74 1fd7 s HIS 57 N -3.39 3.45 0.38 0.06 3.76 -0.52 -5.10 115.29 113.92 1fd7 s HIS 57 Ca 0.05 0.83 0.07 0.00 -0.15 0.00 0.00 55.06 55.86 1fd7 s HIS 57 Cb 0.09 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 1fd7 s HIS 57 CO 0.54 0.18 0.46 0.96 -0.85 0.00 0.00 174.74 176.03 1fd7 s ILE 58 N -1.99 3.38 0.28 0.60 -4.36 -1.26 -4.91 121.20 112.94 1fd7 s ILE 58 Ca 0.47 -1.12 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 1fd7 s ILE 58 Cb -0.11 -3.16 0.28 0.00 1.25 0.00 0.00 42.46 40.71 1fd7 s ILE 58 CO 0.25 -0.08 1.88 -0.78 0.24 0.00 0.00 174.94 176.46 1fd7 h ASP 59 N 0.89 1.00 0.60 4.36 3.58 -1.99 -1.18 116.42 123.67 1fd7 h ASP 59 Ca -0.43 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1fd7 h ASP 59 Cb 1.27 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1fd7 h ASP 59 CO 0.52 0.62 0.00 0.77 -2.88 0.00 0.00 179.24 178.27 1fd7 h SER 60 N 1.12 0.00 1.44 2.28 4.64 -2.05 -2.11 113.55 118.87 1fd7 h SER 60 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1fd7 h SER 60 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fd7 h SER 60 CO -0.18 0.00 -0.18 1.56 -0.87 0.00 0.00 176.83 177.16 1fd7 h GLN 61 N 0.00 0.00 0.04 4.77 4.20 -1.60 -3.37 115.11 119.14 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 0.30 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1fd7 h GLN 61 CO 0.00 0.00 -0.21 0.87 -0.67 0.00 0.00 178.83 178.82 1fd7 h LYS 62 N 0.00 -0.34 -0.12 1.46 1.79 -1.45 0.12 116.57 118.04 1fd7 h LYS 62 Ca 0.00 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 1fd7 h LYS 62 Cb 0.81 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1fd7 h LYS 62 CO 0.00 -0.23 -0.42 0.87 -1.08 0.00 0.00 179.45 178.59 1fd7 h LYS 63 N -0.35 0.27 -0.56 3.15 1.57 -1.79 -2.88 116.57 115.98 1fd7 h LYS 63 Ca 0.05 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1fd7 h LYS 63 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1fd7 h LYS 63 CO -0.17 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1fd7 h ALA 64 N 1.34 0.95 -0.43 3.86 0.00 -1.60 0.19 119.26 123.58 1fd7 h ALA 64 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1fd7 h ALA 64 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1fd7 h ALA 64 CO 0.07 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.84 1fd7 h ILE 65 N 0.88 1.24 -0.70 0.00 2.04 -0.66 -0.05 117.51 120.26 1fd7 h ILE 65 Ca 0.16 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1fd7 h ILE 65 Cb 0.51 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1fd7 h ILE 65 CO 0.03 0.31 0.17 -0.33 0.00 0.00 0.00 178.15 178.32 1fd7 h GLU 66 N 0.57 1.13 -0.91 2.37 4.39 -1.28 -2.46 114.58 118.39 1fd7 h GLU 66 Ca 0.13 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1fd7 h GLU 66 Cb 0.38 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1fd7 h GLU 66 CO 0.01 1.00 0.60 -0.09 -1.16 0.00 0.00 179.01 179.37 1fd7 h ARG 67 N 1.06 1.20 -0.61 2.33 2.43 -0.24 -1.49 114.38 119.05 1fd7 h ARG 67 Ca 0.22 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1fd7 h ARG 67 Cb 0.38 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1fd7 h ARG 67 CO 0.00 0.79 0.33 1.98 -1.51 0.00 0.00 179.97 181.57 1fd7 h MET 68 N 1.23 0.85 -0.24 0.20 4.05 -0.76 0.10 114.93 120.37 1fd7 h MET 68 Ca 0.33 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1fd7 h MET 68 Cb -0.14 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.49 1fd7 h MET 68 CO -0.07 0.65 0.12 0.87 0.23 0.00 0.00 176.91 178.71 1fd7 h LYS 69 N 0.83 0.34 -0.66 0.39 1.57 -0.97 -0.79 116.57 117.27 1fd7 h LYS 69 Ca 0.21 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 1fd7 h LYS 69 Cb 0.05 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 1fd7 h LYS 69 CO -0.03 0.34 0.18 -0.44 -0.57 0.00 0.00 179.45 178.92 1fd7 h ASP 70 N 0.26 0.06 -0.40 0.86 3.32 -0.64 -1.74 116.42 118.14 1fd7 h ASP 70 Ca 0.08 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1fd7 h ASP 70 Cb 0.11 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1fd7 h ASP 70 CO -0.01 0.02 0.17 0.74 -1.72 0.00 0.00 179.24 178.44 1fd7 h THR 71 N 0.30 1.19 -0.91 0.35 2.02 -0.06 -2.33 112.91 113.47 1fd7 h THR 71 Ca 0.36 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1fd7 h THR 71 Cb 0.55 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1fd7 h THR 71 CO -0.43 0.21 0.57 -0.07 0.37 0.00 0.00 175.52 176.18 1fd7 h LEU 72 N 0.51 1.08 0.02 2.58 3.38 -0.78 0.66 115.31 122.76 1fd7 h LEU 72 Ca 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1fd7 h LEU 72 Cb 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1fd7 h LEU 72 CO -0.01 0.81 -0.01 -0.09 0.09 0.00 0.00 178.44 179.23 1fd7 h ARG 73 N 1.25 -0.03 -0.20 1.13 2.43 -1.14 0.64 114.38 118.47 1fd7 h ARG 73 Ca 0.33 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.39 1fd7 h ARG 73 Cb -0.08 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1fd7 h ARG 73 CO -0.07 0.18 -0.37 0.97 -1.51 0.00 0.00 179.97 179.18 1fd7 h ILE 74 N -0.24 1.29 -0.43 1.20 6.09 -1.18 -0.51 117.51 123.73 1fd7 h ILE 74 Ca -0.00 -1.48 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 1fd7 h ILE 74 Cb 0.22 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 1fd7 h ILE 74 CO 0.00 0.46 0.23 0.74 -3.07 0.00 0.00 178.15 176.52 1fd7 h THR 75 N 0.36 1.16 0.12 2.19 2.02 -0.65 -1.47 112.91 116.63 1fd7 h THR 75 Ca 0.04 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1fd7 h THR 75 Cb 0.81 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1fd7 h THR 75 CO 0.07 0.17 -0.16 0.22 0.37 0.00 0.00 175.52 176.18 1fd7 h TYR 76 N 0.56 -0.42 -0.14 3.16 3.20 -0.56 -2.12 116.97 120.66 1fd7 h TYR 76 Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1fd7 h TYR 76 Cb 0.06 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1fd7 h TYR 76 CO -0.02 -0.24 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.16 1fd7 h LEU 77 N -0.33 0.18 -0.67 2.82 3.38 -0.83 -2.17 115.31 117.69 1fd7 h LEU 77 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fd7 h LEU 77 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1fd7 h LEU 77 CO -0.07 0.25 -0.29 0.35 0.09 0.00 0.00 178.44 178.77 1fd7 n THR 78 N -4.39 0.00 -2.97 0.22 -2.24 -0.58 -4.96 114.28 99.36 1fd7 n THR 78 Ca -0.01 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 1fd7 n THR 78 Cb 0.18 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.41 -4.56 -2.59 -0.78 1.02 -0.82 -4.94 120.64 107.56 1fd7 n GLU 79 Ca 0.12 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 1fd7 n GLU 79 Cb 0.38 -5.42 -0.04 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.12 4.20 0.19 2.62 2.01 -0.85 -4.81 115.64 115.88 1fd7 s THR 80 Ca 0.29 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.77 1fd7 s THR 80 Cb -0.13 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 1fd7 s THR 80 CO 0.36 0.25 1.11 -0.54 -0.69 0.00 0.00 174.62 175.11 1fd7 s LYS 81 N 0.13 4.59 0.05 4.92 1.02 -1.26 -4.40 119.74 124.79 1fd7 s LYS 81 Ca 0.50 1.74 -0.22 0.00 0.02 0.00 0.00 55.97 58.02 1fd7 s LYS 81 Cb -0.27 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1fd7 s LYS 81 CO 0.32 0.07 0.64 0.42 -0.92 0.00 0.00 175.35 175.88 1fd7 s ILE 82 N -0.31 4.74 0.00 2.17 -1.09 -0.53 -4.33 121.20 121.85 1fd7 s ILE 82 Ca 0.49 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1fd7 s ILE 82 Cb -0.30 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1fd7 s ILE 82 CO 0.36 0.47 0.00 -0.67 -1.23 0.00 0.00 174.94 173.86 1fd7 n ASP 83 N 2.26 0.00 -4.40 3.58 2.03 0.87 -1.69 116.55 119.19 1fd7 n ASP 83 Ca -0.07 0.30 -0.22 0.00 0.52 0.00 0.00 54.79 55.32 1fd7 n ASP 83 Cb 0.50 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.95 1.47 -0.05 -0.67 1.02 -1.14 -0.55 119.74 118.89 1fd7 s LYS 84 Ca 0.00 -1.60 0.03 0.00 0.02 0.00 0.00 55.97 54.42 1fd7 s LYS 84 Cb 0.00 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1fd7 s LYS 84 CO 0.00 0.29 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.07 1fd7 s LEU 85 N -3.14 1.80 -0.35 3.17 1.43 -0.19 -0.56 118.68 120.83 1fd7 s LEU 85 Ca 0.23 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1fd7 s LEU 85 Cb -0.04 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1fd7 s LEU 85 CO 0.10 0.09 0.36 0.00 0.23 0.00 0.00 176.35 177.14 1fd7 s VAL 87 N 2.01 1.41 -0.14 0.00 -7.23 -0.22 -0.37 120.40 115.87 1fd7 s VAL 87 Ca 0.11 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.40 1fd7 s VAL 87 Cb -0.17 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1fd7 s VAL 87 CO 0.12 -0.33 0.67 0.26 -0.31 0.00 0.00 175.10 175.51 1fd7 s TRP 88 N -1.87 3.46 -0.36 2.82 0.51 0.93 -0.98 118.94 123.47 1fd7 s TRP 88 Ca 0.08 1.08 0.14 0.00 -2.12 0.00 0.00 56.10 55.28 1fd7 s TRP 88 Cb -0.06 -2.81 0.79 0.00 -0.81 0.00 0.00 33.47 30.58 1fd7 s TRP 88 CO 0.04 -0.06 1.71 0.27 -0.51 0.00 0.00 176.95 178.39 1fd7 n ASN 89 N 4.50 5.53 -1.85 2.95 0.23 0.02 -1.74 115.26 124.90 1fd7 n ASN 89 Ca -0.01 -2.86 0.03 0.00 -0.53 0.00 0.00 54.58 51.21 1fd7 n ASN 89 Cb 0.50 -0.67 0.37 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.66 5.33 -4.18 0.53 6.94 -1.26 -4.89 115.26 118.39 1fd7 n ASN 90 Ca 0.27 -3.04 -0.12 0.00 -0.02 0.00 0.00 54.58 51.66 1fd7 n ASN 90 Cb 1.15 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 37.77 1fd7 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1fd7 s LYS 91 N -2.86 0.85 -0.10 -3.83 -0.14 -1.26 -5.08 119.74 107.33 1fd7 s LYS 91 Ca 0.54 -1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 53.85 1fd7 s LYS 91 Cb 0.42 -0.38 0.04 0.00 -1.68 0.00 0.00 37.83 36.24 1fd7 s LYS 91 CO 0.15 0.03 0.08 0.99 -0.76 0.00 0.00 175.35 175.84 1fd7 s THR 92 N -3.07 -0.12 0.97 2.17 2.01 -1.26 -3.12 115.64 113.21 1fd7 s THR 92 Ca 0.09 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 1fd7 s THR 92 Cb 0.01 -0.33 0.17 0.00 0.01 0.00 0.00 72.50 72.37 1fd7 s THR 92 CO -0.02 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.84 1fd7 s PRO 93 N 2.18 0.64 0.47 4.92 0.04 -1.26 -5.07 135.00 136.91 1fd7 s PRO 93 Ca 0.04 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 1fd7 s PRO 93 Cb -0.14 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1fd7 s PRO 93 CO -0.06 -2.70 1.06 0.09 0.04 0.00 0.00 177.00 175.43 1fd7 n ASN 94 N -4.22 1.44 -4.67 6.66 5.03 -1.18 -4.53 115.26 113.79 1fd7 n ASN 94 Ca 0.07 0.99 -0.35 0.00 0.87 0.00 0.00 54.58 56.16 1fd7 n ASN 94 Cb 0.54 -1.40 -0.09 0.00 -1.02 0.00 0.00 39.78 37.82 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 -0.82 5.91 0.00 6.41 0.15 -0.71 -1.82 113.70 122.82 1fd7 s SER 95 Ca 0.66 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 57.15 1fd7 s SER 95 Cb -0.51 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1fd7 s SER 95 CO 0.55 0.16 1.24 -0.63 1.20 0.00 0.00 173.24 175.75 1fd7 s ILE 96 N 0.47 4.05 -0.13 6.45 1.01 -0.32 -0.05 121.20 132.68 1fd7 s ILE 96 Ca 0.06 1.43 0.12 0.00 0.00 0.00 0.00 60.65 62.26 1fd7 s ILE 96 Cb -0.12 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.26 1fd7 s ILE 96 CO -0.00 0.04 0.05 0.00 0.00 0.00 0.00 174.94 175.03 1fd7 n ALA 97 N 4.71 1.67 -3.49 9.38 0.00 0.51 -4.87 120.51 128.42 1fd7 n ALA 97 Ca 0.11 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 1fd7 n ALA 97 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.33 -1.76 0.03 0.00 0.00 -0.91 -4.99 121.76 111.80 1fd7 s ALA 98 Ca -0.07 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1fd7 s ALA 98 Cb 0.04 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1fd7 s ALA 98 CO 0.55 -0.61 -0.05 -1.50 0.00 0.00 0.00 175.76 174.16 1fd7 s ILE 99 N -2.72 0.28 0.06 0.00 2.07 -1.26 -1.10 121.20 118.52 1fd7 s ILE 99 Ca 0.00 -1.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.27 1fd7 s ILE 99 Cb -0.01 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1fd7 s ILE 99 CO -0.06 -0.47 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.47 1fd7 s SER 100 N -1.54 1.14 -0.03 4.50 1.04 0.27 -5.00 113.70 114.08 1fd7 s SER 100 Ca -0.13 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 1fd7 s SER 100 Cb -0.10 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.05 1fd7 s SER 100 CO -0.01 -0.18 0.08 -0.04 0.98 0.00 0.00 173.24 174.07 1fd7 s MET 101 N -1.78 0.07 0.06 4.02 -1.94 -1.26 -0.09 119.30 118.38 1fd7 s MET 101 Ca -0.06 0.16 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 1fd7 s MET 101 Cb -0.09 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 1fd7 s MET 101 CO 0.01 -0.06 -0.13 -1.59 -0.01 0.00 0.00 175.02 173.24 1fd7 s LYS 102 N 0.35 0.76 0.00 2.03 -2.85 -1.26 -4.89 119.74 113.88 1fd7 s LYS 102 Ca -0.03 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 1fd7 s LYS 102 Cb -0.04 -0.72 0.00 0.00 -2.06 0.00 0.00 37.83 35.01 1fd7 s LYS 102 CO -0.01 0.16 0.00 0.09 0.10 0.00 0.00 175.35 175.69