#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkr s VAL 2 N 0.00 3.17 0.16 1.61 0.11 -1.26 -3.11 120.40 121.08 1fkr s VAL 2 Ca 0.00 -1.20 0.09 0.00 -2.93 0.00 0.00 61.98 57.94 1fkr s VAL 2 Cb 0.00 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 1fkr s VAL 2 CO 0.00 0.22 -0.21 -1.58 -3.33 0.00 0.00 175.10 170.20 1fkr s GLN 3 N -1.85 1.31 -0.29 1.54 0.74 -0.91 -4.97 119.66 115.23 1fkr s GLN 3 Ca 0.18 -1.38 -0.00 0.00 0.05 0.00 0.00 55.36 54.21 1fkr s GLN 3 Cb -0.11 -1.51 0.09 0.00 1.10 0.00 0.00 33.01 32.59 1fkr s GLN 3 CO 0.10 0.32 0.07 0.08 -0.55 0.00 0.00 175.29 175.31 1fkr s VAL 4 N -1.71 1.15 0.27 1.34 1.01 -1.26 -2.43 120.40 118.77 1fkr s VAL 4 Ca 0.15 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.73 1fkr s VAL 4 Cb -0.07 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1fkr s VAL 4 CO 0.07 -0.55 0.40 -0.70 0.00 0.00 0.00 175.10 174.31 1fkr s GLU 5 N 1.50 3.36 0.21 2.72 2.12 -0.91 -4.97 118.70 122.74 1fkr s GLU 5 Ca 0.07 -0.80 0.11 0.00 0.36 0.00 0.00 54.97 54.71 1fkr s GLU 5 Cb -0.18 -2.86 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1fkr s GLU 5 CO -0.19 0.32 -0.21 0.99 -0.54 0.00 0.00 175.26 175.64 1fkr s THR 6 N -2.05 2.26 0.06 -1.70 2.01 -1.26 -2.13 115.64 112.83 1fkr s THR 6 Ca 0.37 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 60.24 1fkr s THR 6 Cb -0.09 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1fkr s THR 6 CO 0.30 -0.26 0.00 -0.38 -0.69 0.00 0.00 174.62 173.59 1fkr n ILE 7 N -0.02 0.40 -3.79 1.82 5.41 -0.62 -4.89 119.36 117.66 1fkr n ILE 7 Ca -0.10 0.13 -0.28 0.00 1.00 0.00 0.00 62.75 63.49 1fkr n ILE 7 Cb 0.58 -1.29 -0.12 0.00 -0.71 0.00 0.00 39.64 38.09 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fkr s SER 8 N -5.32 3.98 0.86 4.38 0.15 -1.08 -5.00 113.70 111.69 1fkr s SER 8 Ca 0.00 -3.40 -0.15 0.00 0.70 0.00 0.00 55.95 53.09 1fkr s SER 8 Cb 0.00 -1.34 -0.13 0.00 -1.71 0.00 0.00 66.02 62.84 1fkr s SER 8 CO 0.00 -0.15 -0.75 -2.65 1.20 0.00 0.00 173.24 170.89 1fkr n PRO 9 N 2.54 0.00 -2.48 5.44 -0.02 -1.26 -2.08 135.00 137.13 1fkr n PRO 9 Ca 0.17 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1fkr n PRO 9 Cb 0.37 -0.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 1fkr n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 10 N 3.02 4.07 0.36 -1.23 0.00 -1.25 -4.47 105.19 105.69 1fkr n GLY 10 Ca -0.02 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 43.83 1fkr n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkr n ASP 11 N -1.16 -0.47 0.00 1.61 5.68 -1.25 -4.78 116.55 116.17 1fkr n ASP 11 Ca -0.04 1.70 0.00 0.00 -0.50 0.00 0.00 54.79 55.95 1fkr n ASP 11 Cb 0.12 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1fkr n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkr n GLY 12 N -1.56 0.67 0.00 6.12 0.00 -1.26 -4.90 105.19 104.27 1fkr n GLY 12 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1fkr n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr n ARG 13 N -2.04 1.58 -4.31 1.61 1.74 -1.26 -5.05 116.66 108.94 1fkr n ARG 13 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1fkr n ARG 13 Cb 0.00 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1fkr n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkr s THR 14 N -2.01 4.27 0.37 0.55 2.01 -1.26 -5.07 115.64 114.50 1fkr s THR 14 Ca -0.00 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1fkr s THR 14 Cb 0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1fkr s THR 14 CO 0.01 0.54 0.11 -0.36 -0.69 0.00 0.00 174.62 174.23 1fkr s PHE 15 N -0.18 1.79 0.70 4.92 0.40 -1.26 -1.10 117.98 123.25 1fkr s PHE 15 Ca 0.05 -1.21 -0.15 0.00 -0.60 0.00 0.00 56.93 55.02 1fkr s PHE 15 Cb -0.13 -1.13 0.03 0.00 0.51 0.00 0.00 43.02 42.30 1fkr s PHE 15 CO 0.02 -0.26 1.15 -2.14 0.70 0.00 0.00 175.22 174.69 1fkr s PRO 16 N -3.79 2.43 0.43 0.24 0.02 -1.26 -4.87 135.00 128.20 1fkr s PRO 16 Ca 0.29 1.53 0.05 0.00 0.02 0.00 0.00 61.00 62.89 1fkr s PRO 16 Cb 0.05 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.62 1fkr s PRO 16 CO 0.15 -1.57 0.02 0.15 -0.33 0.00 0.00 177.00 175.43 1fkr s LYS 17 N -4.08 1.98 -0.82 5.54 1.02 -1.26 -5.05 119.74 117.06 1fkr s LYS 17 Ca 0.70 -2.17 -0.26 0.00 0.02 0.00 0.00 55.97 54.26 1fkr s LYS 17 Cb -0.24 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1fkr s LYS 17 CO 0.44 -0.18 1.45 1.03 -0.92 0.00 0.00 175.35 177.17 1fkr s ARG 18 N -3.78 3.19 0.00 1.68 0.52 -1.26 -2.28 118.95 117.02 1fkr s ARG 18 Ca 0.26 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1fkr s ARG 18 Cb 0.07 -4.62 0.00 0.00 0.52 0.00 0.00 34.95 30.92 1fkr s ARG 18 CO 0.13 -2.33 0.00 0.41 0.02 0.00 0.00 175.30 173.53 1fkr n GLY 19 N 5.98 0.95 3.72 -3.53 0.00 -1.26 -5.13 105.19 105.92 1fkr n GLY 19 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1fkr n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkr s GLN 20 N 0.00 2.23 -0.23 1.61 -1.52 -0.96 -5.04 119.66 115.74 1fkr s GLN 20 Ca 0.00 -1.76 0.01 0.00 -1.95 0.00 0.00 55.36 51.66 1fkr s GLN 20 Cb 0.00 -2.01 0.04 0.00 -0.22 0.00 0.00 33.01 30.82 1fkr s GLN 20 CO 0.00 -0.02 -0.12 0.99 -0.25 0.00 0.00 175.29 175.89 1fkr s THR 21 N -2.55 2.34 0.41 -0.19 2.01 -1.26 -3.35 115.64 113.05 1fkr s THR 21 Ca 0.39 -1.26 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 1fkr s THR 21 Cb 0.02 -2.21 -0.09 0.00 0.01 0.00 0.00 72.50 70.22 1fkr s THR 21 CO 0.22 0.20 1.06 0.00 -0.69 0.00 0.00 174.62 175.41 1fkr s VAL 23 N -1.66 2.63 0.10 0.00 1.01 0.11 -1.95 120.40 120.64 1fkr s VAL 23 Ca 0.59 -2.28 0.10 0.00 0.00 0.00 0.00 61.98 60.38 1fkr s VAL 23 Cb -0.22 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1fkr s VAL 23 CO 0.28 -0.64 -0.25 0.68 0.00 0.00 0.00 175.10 175.17 1fkr s VAL 24 N 0.94 2.09 0.03 2.92 -7.23 -0.37 -0.08 120.40 118.71 1fkr s VAL 24 Ca 0.10 -1.59 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 1fkr s VAL 24 Cb -0.20 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1fkr s VAL 24 CO -0.07 0.14 -0.24 -2.28 -0.31 0.00 0.00 175.10 172.35 1fkr s HIS 25 N -1.00 2.07 0.34 2.82 2.46 -1.05 -1.61 115.29 119.32 1fkr s HIS 25 Ca 0.12 -0.39 -0.15 0.00 0.47 0.00 0.00 55.06 55.10 1fkr s HIS 25 Cb -0.10 -1.26 0.03 0.00 -0.13 0.00 0.00 32.58 31.13 1fkr s HIS 25 CO 0.04 0.08 0.71 1.52 -2.47 0.00 0.00 174.74 174.63 1fkr s TYR 26 N -0.75 0.16 -0.05 3.88 -0.85 -1.26 -0.99 117.35 117.48 1fkr s TYR 26 Ca 0.10 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1fkr s TYR 26 Cb -0.09 0.65 0.02 0.00 0.38 0.00 0.00 41.96 42.92 1fkr s TYR 26 CO 0.01 -1.38 -0.02 0.99 -1.52 0.00 0.00 175.55 173.63 1fkr s THR 27 N -2.99 0.44 -0.17 -3.49 2.01 -0.89 -2.97 115.64 107.58 1fkr s THR 27 Ca 0.16 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1fkr s THR 27 Cb -0.04 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1fkr s THR 27 CO 0.11 0.23 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.41 1fkr s GLY 28 N 1.28 1.72 0.41 4.40 0.00 0.21 -1.94 107.32 113.40 1fkr s GLY 28 Ca -0.05 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.81 1fkr s GLY 28 CO -0.02 0.05 0.11 1.06 0.00 0.00 0.00 173.10 174.30 1fkr s MET 29 N 0.62 1.92 0.00 2.90 -1.94 -0.73 -3.40 119.30 118.66 1fkr s MET 29 Ca -0.02 -2.16 0.00 0.00 -1.71 0.00 0.00 55.69 51.80 1fkr s MET 29 Cb -0.14 -0.73 0.00 0.00 2.01 0.00 0.00 34.83 35.96 1fkr s MET 29 CO 0.02 -0.43 0.00 1.28 -0.01 0.00 0.00 175.02 175.89 1fkr n LEU 30 N -0.91 0.00 -1.32 -0.03 4.77 -1.26 -2.24 117.00 116.00 1fkr n LEU 30 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1fkr n LEU 30 Cb 0.65 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.92 1fkr n LEU 30 CO 0.37 0.00 0.66 -1.84 -1.33 0.00 0.00 177.39 175.25 1fkr n GLU 31 N 0.00 2.59 0.00 3.23 -0.00 -1.26 -3.93 120.64 121.27 1fkr n GLU 31 Ca 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 57.16 55.59 1fkr n GLU 31 Cb 0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 31.44 29.64 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1fkr n ASP 32 N 0.13 0.23 0.00 -1.84 5.68 -1.26 -5.07 116.55 114.42 1fkr n ASP 32 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1fkr n ASP 32 Cb 0.83 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkr n GLY 33 N 2.17 1.64 2.49 6.12 0.00 -1.25 -5.08 105.19 111.28 1fkr n GLY 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1fkr n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkr n LYS 34 N -0.05 2.67 0.00 1.61 4.76 -1.26 -4.95 118.16 120.94 1fkr n LYS 34 Ca 0.00 -4.66 0.00 0.00 -2.87 0.00 0.00 58.31 50.78 1fkr n LYS 34 Cb 0.00 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 30.91 1fkr n LYS 34 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1fkr n LYS 35 N 0.94 0.00 0.00 1.97 2.85 -1.26 -4.78 118.16 117.88 1fkr n LYS 35 Ca 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.55 1fkr n LYS 35 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1fkr n LYS 35 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1fkr n PHE 36 N 0.00 0.00 -3.59 5.58 -1.74 -1.22 -5.00 117.46 111.50 1fkr n PHE 36 Ca 0.00 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.60 1fkr n PHE 36 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1fkr s ASP 37 N -2.57 3.25 -0.09 5.98 1.11 -1.25 -5.05 116.67 118.05 1fkr s ASP 37 Ca 0.00 -2.47 0.01 0.00 0.18 0.00 0.00 52.55 50.28 1fkr s ASP 37 Cb 0.00 -0.72 -0.02 0.00 1.07 0.00 0.00 42.92 43.25 1fkr s ASP 37 CO 0.00 -0.28 -0.13 -0.44 1.18 0.00 0.00 175.17 175.50 1fkr s SER 38 N 0.64 4.09 -0.47 0.27 0.01 -1.26 0.68 113.70 117.65 1fkr s SER 38 Ca 0.19 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.29 1fkr s SER 38 Cb -0.22 -1.24 0.37 0.00 0.21 0.00 0.00 66.02 65.14 1fkr s SER 38 CO -0.01 0.26 0.92 -1.54 0.41 0.00 0.00 173.24 173.29 1fkr n SER 39 N 2.89 3.29 -3.55 2.44 3.41 -1.16 -4.96 113.62 115.99 1fkr n SER 39 Ca -0.18 -3.42 -0.27 0.00 -0.26 0.00 0.00 58.87 54.74 1fkr n SER 39 Cb 0.52 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 1fkr n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fkr n ARG 40 N -0.14 1.18 0.00 4.33 0.63 -1.26 -4.47 116.66 116.93 1fkr n ARG 40 Ca 0.29 -3.86 0.00 0.00 -0.92 0.00 0.00 57.85 53.36 1fkr n ARG 40 Cb 0.55 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1fkr n ASP 41 N 2.03 0.00 0.00 6.15 2.03 -1.26 -5.05 116.55 120.46 1fkr n ASP 41 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1fkr n ASP 41 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1fkr n ASP 41 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1fkr n ARG 42 N 0.00 0.00 -0.69 -0.67 3.00 -1.26 -4.94 116.66 112.10 1fkr n ARG 42 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1fkr n ARG 42 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 32.46 32.68 1fkr n ARG 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1fkr n ASN 43 N 0.00 3.03 -3.16 6.15 5.03 -1.26 -4.78 115.26 120.27 1fkr n ASN 43 Ca 0.00 -3.49 -0.25 0.00 0.87 0.00 0.00 54.58 51.71 1fkr n ASN 43 Cb 0.00 -0.61 -0.05 0.00 -1.02 0.00 0.00 39.78 38.09 1fkr n ASN 43 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1fkr n LYS 44 N -0.92 2.22 0.00 3.52 2.85 -1.26 -5.09 118.16 119.47 1fkr n LYS 44 Ca 0.30 -4.27 0.00 0.00 -1.05 0.00 0.00 58.31 53.29 1fkr n LYS 44 Cb 1.01 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1fkr n LYS 44 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1fkr n PRO 45 N 0.41 2.56 -3.44 -1.58 -0.04 -1.26 -4.87 135.00 126.77 1fkr n PRO 45 Ca 0.28 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 1fkr n PRO 45 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1fkr s PHE 46 N 0.00 3.47 -0.07 0.54 5.36 -0.63 -4.99 117.98 121.65 1fkr s PHE 46 Ca 0.00 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1fkr s PHE 46 Cb 0.00 -2.24 0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1fkr s PHE 46 CO 0.00 0.33 0.14 0.15 -1.46 0.00 0.00 175.22 174.38 1fkr s LYS 47 N -2.60 0.04 0.27 10.12 1.02 -1.26 -1.24 119.74 126.08 1fkr s LYS 47 Ca 0.44 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.94 1fkr s LYS 47 Cb -0.12 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 1fkr s LYS 47 CO 0.21 -0.27 0.12 -0.59 -0.92 0.00 0.00 175.35 173.90 1fkr s PHE 48 N 1.96 1.52 0.01 3.18 -0.71 -0.82 -4.96 117.98 118.16 1fkr s PHE 48 Ca -0.00 -1.27 0.04 0.00 -1.04 0.00 0.00 56.93 54.66 1fkr s PHE 48 Cb -0.12 -0.85 -0.03 0.00 -1.21 0.00 0.00 43.02 40.80 1fkr s PHE 48 CO -0.05 -0.43 -0.08 1.41 -1.34 0.00 0.00 175.22 174.73 1fkr s MET 49 N -3.97 2.49 -0.24 1.99 -2.45 -1.26 -0.66 119.30 115.20 1fkr s MET 49 Ca 0.37 -0.76 -0.19 0.00 -1.25 0.00 0.00 55.69 53.86 1fkr s MET 49 Cb 0.07 -2.46 -0.03 0.00 1.25 0.00 0.00 34.83 33.66 1fkr s MET 49 CO 0.15 0.59 0.57 -1.17 1.05 0.00 0.00 175.02 176.21 1fkr s LEU 50 N -1.45 4.09 0.00 4.11 2.96 -1.21 -4.06 118.68 123.12 1fkr s LEU 50 Ca 0.17 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1fkr s LEU 50 Cb -0.11 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1fkr s LEU 50 CO 0.08 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1fkr n GLY 51 N 4.11 2.28 1.80 7.98 0.00 -1.26 -4.35 105.19 115.76 1fkr n GLY 51 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1fkr n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkr n LYS 52 N -0.27 2.77 -1.18 1.61 3.00 -1.26 -4.99 118.16 117.83 1fkr n LYS 52 Ca 0.00 -3.62 0.00 0.00 -0.00 0.00 0.00 58.31 54.69 1fkr n LYS 52 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 32.91 1fkr n LYS 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fkr n GLN 53 N -0.91 0.00 0.03 1.64 7.27 -1.26 -4.74 117.38 119.40 1fkr n GLN 53 Ca 0.45 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.55 1fkr n GLN 53 Cb 0.92 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.49 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1fkr n GLU 54 N -0.22 0.63 -3.71 3.69 -0.58 -1.26 -4.93 120.64 114.25 1fkr n GLU 54 Ca 0.00 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 56.62 1fkr n GLU 54 Cb 0.00 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.11 1fkr n GLU 54 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1fkr n VAL 55 N -2.73 0.00 -2.47 2.62 0.24 -1.26 -5.11 118.33 109.62 1fkr n VAL 55 Ca -0.09 -1.74 -0.23 0.00 -2.04 0.00 0.00 64.34 60.24 1fkr n VAL 55 Cb 0.77 0.16 0.05 0.00 -1.47 0.00 0.00 33.84 33.35 1fkr n VAL 55 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1fkr s ILE 56 N -2.25 2.53 0.06 1.34 -4.36 -1.26 -4.88 121.20 112.38 1fkr s ILE 56 Ca 0.09 -0.51 -0.25 0.00 -0.26 0.00 0.00 60.65 59.72 1fkr s ILE 56 Cb -0.01 -3.00 -0.12 0.00 1.25 0.00 0.00 42.46 40.58 1fkr s ILE 56 CO 0.06 -0.00 1.38 -0.09 0.24 0.00 0.00 174.94 176.53 1fkr h ARG 57 N -0.18 -0.68 -0.52 0.37 2.43 -1.93 -1.74 114.38 112.12 1fkr h ARG 57 Ca -0.43 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1fkr h ARG 57 Cb 1.30 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.96 1fkr h ARG 57 CO 0.55 -0.45 0.34 0.41 -1.51 0.00 0.00 179.97 179.31 1fkr n GLY 58 N -1.39 -0.31 0.00 2.80 0.00 -1.18 -0.21 105.19 104.90 1fkr n GLY 58 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fkr n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fkr n TRP 59 N -3.28 0.00 -0.17 1.61 7.02 -0.89 -1.97 117.44 119.76 1fkr n TRP 59 Ca 0.15 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.60 1fkr n TRP 59 Cb 0.59 -0.29 -0.02 0.00 -2.42 0.00 0.00 31.31 29.17 1fkr n TRP 59 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1fkr n GLU 60 N -1.99 -0.15 0.01 -0.99 0.00 0.71 0.26 120.64 118.49 1fkr n GLU 60 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 57.16 57.69 1fkr n GLU 60 Cb 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 31.44 30.39 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1fkr h GLU 61 N 0.00 -0.11 0.00 5.31 4.57 -1.38 -2.58 114.58 120.38 1fkr h GLU 61 Ca 0.10 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1fkr h GLU 61 Cb 0.21 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1fkr h GLU 61 CO -0.41 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 1fkr n GLY 62 N 0.68 -3.35 0.34 1.92 0.00 0.50 -1.86 105.19 103.42 1fkr n GLY 62 Ca -0.08 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1fkr n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fkr n VAL 63 N -0.78 -0.41 -0.16 1.61 0.31 0.74 -0.58 118.33 119.06 1fkr n VAL 63 Ca 0.00 2.17 -0.13 0.00 -0.01 0.00 0.00 64.34 66.36 1fkr n VAL 63 Cb 0.00 -3.11 -0.10 0.00 -0.91 0.00 0.00 33.84 29.72 1fkr n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fkr h ALA 64 N 1.94 -0.76 0.00 3.52 0.00 -1.19 0.52 119.26 123.30 1fkr h ALA 64 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1fkr h ALA 64 Cb 1.05 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1fkr h ALA 64 CO -0.94 -1.04 0.32 0.94 0.00 0.00 0.00 179.25 178.53 1fkr n GLN 65 N -5.34 0.02 -3.77 0.00 7.27 0.26 -4.46 117.38 111.36 1fkr n GLN 65 Ca -0.03 0.29 -0.25 0.00 0.07 0.00 0.00 57.00 57.08 1fkr n GLN 65 Cb 0.33 -1.88 -0.03 0.00 2.41 0.00 0.00 30.24 31.08 1fkr n GLN 65 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1fkr s MET 66 N -2.62 3.48 0.11 3.69 -1.94 0.18 -5.10 119.30 117.10 1fkr s MET 66 Ca -0.00 -0.49 0.10 0.00 -1.71 0.00 0.00 55.69 53.59 1fkr s MET 66 Cb 0.01 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1fkr s MET 66 CO 0.02 0.40 -0.24 -1.54 -0.01 0.00 0.00 175.02 173.66 1fkr s SER 67 N -3.46 3.50 -0.92 3.03 1.04 -1.26 -4.50 113.70 111.13 1fkr s SER 67 Ca 0.37 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.89 1fkr s SER 67 Cb -0.10 -0.35 -0.22 0.00 0.10 0.00 0.00 66.02 65.44 1fkr s SER 67 CO 0.30 0.19 2.53 0.52 0.98 0.00 0.00 173.24 177.76 1fkr n VAL 68 N 1.00 -0.01 0.00 5.02 0.31 -0.26 0.78 118.33 125.17 1fkr n VAL 68 Ca -0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1fkr n VAL 68 Cb 0.53 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1fkr n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkr n GLY 69 N 6.23 1.33 3.68 2.92 0.00 -0.97 -3.94 105.19 114.45 1fkr n GLY 69 Ca 0.62 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.31 1fkr n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkr s GLN 70 N -0.34 2.76 -0.05 1.61 0.74 0.23 -3.90 119.66 120.71 1fkr s GLN 70 Ca 0.00 -0.63 0.05 0.00 0.05 0.00 0.00 55.36 54.83 1fkr s GLN 70 Cb 0.00 -2.65 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 1fkr s GLN 70 CO 0.00 0.62 -0.20 0.50 -0.55 0.00 0.00 175.29 175.66 1fkr s ARG 71 N -1.60 2.08 0.27 1.67 3.52 -0.88 -2.12 118.95 121.88 1fkr s ARG 71 Ca 0.20 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1fkr s ARG 71 Cb -0.11 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1fkr s ARG 71 CO 0.11 0.29 0.15 0.00 -0.81 0.00 0.00 175.30 175.03 1fkr s ALA 72 N -0.02 1.70 -0.28 6.12 0.00 0.18 -1.59 121.76 127.88 1fkr s ALA 72 Ca -0.04 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.12 1fkr s ALA 72 Cb -0.12 1.21 0.08 0.00 0.00 0.00 0.00 23.12 24.29 1fkr s ALA 72 CO 0.03 -0.53 0.05 0.21 0.00 0.00 0.00 175.76 175.52 1fkr s LYS 73 N -3.93 0.99 0.05 0.00 2.20 -0.90 -1.24 119.74 116.91 1fkr s LYS 73 Ca 0.37 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1fkr s LYS 73 Cb 0.06 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1fkr s LYS 73 CO 0.16 -0.84 0.19 -0.51 -0.36 0.00 0.00 175.35 173.99 1fkr s LEU 74 N 1.52 4.29 -0.30 5.43 1.02 -0.03 -2.13 118.68 128.48 1fkr s LEU 74 Ca 0.05 0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.48 1fkr s LEU 74 Cb -0.18 -2.85 0.08 0.00 0.02 0.00 0.00 46.19 43.26 1fkr s LEU 74 CO -0.16 0.18 -0.01 -0.89 0.02 0.00 0.00 176.35 175.49 1fkr s THR 75 N -1.47 2.10 -0.14 5.49 2.01 -1.02 -1.84 115.64 120.77 1fkr s THR 75 Ca 0.33 -1.95 -0.08 0.00 0.31 0.00 0.00 61.69 60.31 1fkr s THR 75 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1fkr s THR 75 CO 0.26 -0.35 0.14 -0.63 -0.69 0.00 0.00 174.62 173.35 1fkr s ILE 76 N 1.05 5.47 0.21 1.82 1.01 -0.01 -2.14 121.20 128.62 1fkr s ILE 76 Ca 0.02 0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.99 1fkr s ILE 76 Cb -0.19 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1fkr s ILE 76 CO -0.08 0.57 -0.11 -0.94 0.00 0.00 0.00 174.94 174.39 1fkr s SER 77 N -0.65 4.13 0.20 3.58 1.04 -1.18 -1.29 113.70 119.53 1fkr s SER 77 Ca 0.13 -0.69 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 1fkr s SER 77 Cb -0.12 -0.63 0.28 0.00 0.10 0.00 0.00 66.02 65.65 1fkr s SER 77 CO 0.03 0.07 1.24 -0.81 0.98 0.00 0.00 173.24 174.75 1fkr n PRO 78 N -0.22 -0.13 -0.33 4.02 -0.04 -1.26 -0.02 135.00 137.01 1fkr n PRO 78 Ca -0.09 1.24 0.31 0.00 -0.04 0.00 0.00 63.50 64.91 1fkr n PRO 78 Cb 0.57 -1.84 0.55 0.00 -0.04 0.00 0.00 33.50 32.73 1fkr n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fkr n ASP 79 N -5.24 0.27 -0.07 3.54 5.68 -1.26 -0.30 116.55 119.17 1fkr n ASP 79 Ca 0.10 1.38 -0.05 0.00 -0.50 0.00 0.00 54.79 55.73 1fkr n ASP 79 Cb 0.36 -0.68 -0.13 0.00 -1.14 0.00 0.00 41.12 39.53 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1fkr n TYR 80 N -4.82 0.00 -3.24 2.11 4.02 0.96 -5.00 117.16 111.20 1fkr n TYR 80 Ca 0.34 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 58.03 1fkr n TYR 80 Cb 1.23 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr s ALA 81 N -2.56 4.07 0.00 -0.72 0.00 0.59 -2.98 121.76 120.17 1fkr s ALA 81 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1fkr s ALA 81 Cb 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1fkr s ALA 81 CO 0.68 -0.20 0.00 0.66 0.00 0.00 0.00 175.76 176.90 1fkr n TYR 82 N -1.84 0.00 0.00 0.00 4.01 -1.26 -4.59 117.16 113.49 1fkr n TYR 82 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1fkr n TYR 82 Cb 0.58 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1fkr n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkr n GLY 83 N -0.27 3.26 0.00 2.72 0.00 -1.26 -4.92 105.19 104.72 1fkr n GLY 83 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1fkr n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkr n ALA 84 N -1.22 0.00 -3.85 4.61 0.00 -1.26 -3.58 120.51 115.21 1fkr n ALA 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1fkr n ALA 84 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1fkr n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fkr s THR 85 N -0.26 1.81 -0.06 0.00 2.01 -1.26 -3.59 115.64 114.30 1fkr s THR 85 Ca 0.00 -2.48 -0.06 0.00 0.31 0.00 0.00 61.69 59.46 1fkr s THR 85 Cb 0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1fkr s THR 85 CO 0.00 -0.76 -0.13 0.61 -0.69 0.00 0.00 174.62 173.65 1fkr n GLY 86 N 3.85 -0.19 2.70 4.40 0.00 -1.23 -4.90 105.19 109.82 1fkr n GLY 86 Ca 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1fkr n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fkr n HIS 87 N -3.63 3.38 -1.61 1.61 8.25 -1.26 -5.07 115.22 116.89 1fkr n HIS 87 Ca -0.14 -4.00 -0.57 0.00 -0.26 0.00 0.00 57.72 52.75 1fkr n HIS 87 Cb 0.45 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.99 1fkr n HIS 87 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1fkr n PRO 88 N 0.15 0.69 0.00 -0.41 -0.04 -1.22 -0.39 135.00 133.77 1fkr n PRO 88 Ca 0.30 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1fkr n PRO 88 Cb 0.43 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1fkr n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkr n GLY 89 N 2.75 3.07 0.52 0.55 0.00 -1.26 -4.74 105.19 106.08 1fkr n GLY 89 Ca 0.22 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1fkr n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkr n ILE 90 N 0.00 0.91 -3.88 -0.61 5.41 -0.58 -4.85 119.36 115.77 1fkr n ILE 90 Ca 0.00 -0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.29 1fkr n ILE 90 Cb 0.00 -1.75 -0.12 0.00 -0.71 0.00 0.00 39.64 37.06 1fkr n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkr s ILE 91 N -2.31 3.00 1.03 1.39 -1.09 0.48 -4.96 121.20 118.74 1fkr s ILE 91 Ca -0.21 -3.72 -0.11 0.00 -2.23 0.00 0.00 60.65 54.38 1fkr s ILE 91 Cb 0.08 -2.99 0.21 0.00 -1.58 0.00 0.00 42.46 38.17 1fkr s ILE 91 CO 0.27 -0.92 1.09 -2.84 -1.23 0.00 0.00 174.94 171.31 1fkr s PRO 92 N -0.83 0.08 1.03 2.79 0.02 -1.26 -3.46 135.00 133.37 1fkr s PRO 92 Ca 0.21 1.22 -0.22 0.00 0.02 0.00 0.00 61.00 62.23 1fkr s PRO 92 Cb -0.15 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 1fkr s PRO 92 CO -0.08 -3.17 -0.81 -0.35 -0.33 0.00 0.00 177.00 172.27 1fkr n PRO 93 N -4.57 -0.48 -1.58 5.54 -0.04 -1.26 -3.38 135.00 129.23 1fkr n PRO 93 Ca 0.08 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1fkr n PRO 93 Cb 0.53 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1fkr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fkr n HIS 94 N -3.60 0.00 -3.39 0.54 8.25 -1.24 -4.79 115.22 111.00 1fkr n HIS 94 Ca -0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1fkr n HIS 94 Cb 0.67 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.71 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkr n ALA 95 N -0.37 4.23 -0.76 -1.41 0.00 -1.22 -5.06 120.51 115.92 1fkr n ALA 95 Ca 0.00 -4.76 -0.30 0.00 0.00 0.00 0.00 53.44 48.39 1fkr n ALA 95 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1fkr n ALA 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 96 N 1.10 0.00 -3.34 0.00 -1.04 -1.26 -4.89 114.28 104.85 1fkr n THR 96 Ca 0.28 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.95 1fkr n THR 96 Cb 0.39 -0.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.73 1fkr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fkr s LEU 97 N 0.68 4.26 -0.21 -4.42 1.43 -0.41 -4.22 118.68 115.78 1fkr s LEU 97 Ca 0.46 1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1fkr s LEU 97 Cb -0.65 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 42.14 1fkr s LEU 97 CO 0.32 0.01 0.01 -0.69 0.23 0.00 0.00 176.35 176.24 1fkr s VAL 98 N -1.63 0.84 0.18 -1.59 1.01 -0.95 -0.83 120.40 117.44 1fkr s VAL 98 Ca 0.43 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1fkr s VAL 98 Cb -0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1fkr s VAL 98 CO 0.20 -0.19 0.22 -0.36 0.00 0.00 0.00 175.10 174.97 1fkr s PHE 99 N 1.71 3.28 -0.41 5.22 0.40 -0.77 -1.78 117.98 125.63 1fkr s PHE 99 Ca -0.02 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1fkr s PHE 99 Cb -0.18 -1.55 0.12 0.00 0.51 0.00 0.00 43.02 41.93 1fkr s PHE 99 CO -0.08 0.51 0.18 -0.51 0.70 0.00 0.00 175.22 176.02 1fkr s ASP 100 N -3.38 4.02 0.17 1.36 1.11 -0.82 -0.85 116.67 118.28 1fkr s ASP 100 Ca 0.33 -2.40 0.06 0.00 0.18 0.00 0.00 52.55 50.72 1fkr s ASP 100 Cb -0.10 -1.19 -0.04 0.00 1.07 0.00 0.00 42.92 42.66 1fkr s ASP 100 CO 0.26 -0.31 0.07 -0.69 1.18 0.00 0.00 175.17 175.67 1fkr s VAL 101 N 0.61 4.09 -0.30 -1.27 1.01 -0.38 -2.09 120.40 122.08 1fkr s VAL 101 Ca 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1fkr s VAL 101 Cb -0.22 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.17 1fkr s VAL 101 CO -0.06 -0.11 0.06 -0.70 0.00 0.00 0.00 175.10 174.28 1fkr s GLU 102 N -3.04 1.00 -0.01 2.72 2.12 -0.16 -0.64 118.70 120.70 1fkr s GLU 102 Ca 0.29 -1.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 1fkr s GLU 102 Cb -0.10 -2.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 1fkr s GLU 102 CO 0.21 -0.89 1.33 -1.17 -0.54 0.00 0.00 175.26 174.20 1fkr s LEU 103 N 1.46 4.31 -0.21 2.70 2.96 -0.90 -2.54 118.68 126.46 1fkr s LEU 103 Ca 0.07 2.03 -0.16 0.00 -0.22 0.00 0.00 54.13 55.85 1fkr s LEU 103 Cb -0.18 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.86 1fkr s LEU 103 CO -0.17 -0.66 -0.22 0.18 -1.32 0.00 0.00 176.35 174.15 1fkr n LEU 104 N 5.19 1.90 -3.85 -0.68 4.77 0.89 -2.29 117.00 122.94 1fkr n LEU 104 Ca 0.12 0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 56.47 1fkr n LEU 104 Cb 0.44 -0.83 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1fkr n LEU 104 CO 0.57 0.03 0.73 -0.75 -1.33 0.00 0.00 177.39 176.64 1fkr s LYS 105 N -2.56 1.50 0.13 3.23 2.20 -1.04 -4.42 119.74 118.77 1fkr s LYS 105 Ca -0.29 -0.95 0.08 0.00 -0.36 0.00 0.00 55.97 54.46 1fkr s LYS 105 Cb 0.07 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.78 1fkr s LYS 105 CO 0.43 -0.70 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.08 1fkr s LEU 106 N -3.25 2.89 0.00 5.43 1.43 -1.26 0.04 118.68 123.96 1fkr s LEU 106 Ca 0.19 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1fkr s LEU 106 Cb -0.03 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1fkr s LEU 106 CO 0.06 0.16 0.20 -0.62 0.23 0.00 0.00 176.35 176.38