#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 3.13 0.12 1.61 0.11 -1.26 -3.89 120.40 120.22 1fkr s VAL 2 Ca 0.00 -1.38 0.11 0.00 -2.93 0.00 0.00 61.98 57.77 1fkr s VAL 2 Cb 0.00 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 1fkr s VAL 2 CO 0.00 0.10 -0.26 -1.10 -3.33 0.00 0.00 175.10 170.51 1fkr s GLN 3 N -2.19 1.39 -0.22 1.54 -0.21 -0.97 -4.99 119.66 114.00 1fkr s GLN 3 Ca 0.20 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.27 1fkr s GLN 3 Cb -0.11 -1.84 0.06 0.00 1.00 0.00 0.00 33.01 32.12 1fkr s GLN 3 CO 0.12 0.44 -0.06 0.08 -2.12 0.00 0.00 175.29 173.75 1fkr s VAL 4 N -1.06 1.53 -0.50 1.09 1.01 -1.26 -2.42 120.40 118.80 1fkr s VAL 4 Ca 0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1fkr s VAL 4 Cb -0.10 -1.75 0.13 0.00 0.00 0.00 0.00 36.38 34.66 1fkr s VAL 4 CO 0.06 -0.03 0.34 -1.61 0.00 0.00 0.00 175.10 173.85 1fkr s GLU 5 N 1.41 2.38 0.66 2.72 2.02 -0.85 -4.97 118.70 122.07 1fkr s GLU 5 Ca -0.05 -1.99 -0.15 0.00 0.02 0.00 0.00 54.97 52.81 1fkr s GLU 5 Cb -0.18 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.26 1fkr s GLU 5 CO -0.07 -1.15 1.11 0.99 0.02 0.00 0.00 175.26 176.16 1fkr s THR 6 N 0.92 3.27 0.06 3.63 2.01 -1.26 -0.78 115.64 123.48 1fkr s THR 6 Ca 0.10 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1fkr s THR 6 Cb -0.23 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1fkr s THR 6 CO -0.03 -0.38 0.00 -0.38 -0.69 0.00 0.00 174.62 173.14 1fkr n ILE 7 N -2.47 0.43 -3.82 1.82 5.41 0.01 -4.87 119.36 115.86 1fkr n ILE 7 Ca 0.10 0.14 -0.28 0.00 1.00 0.00 0.00 62.75 63.71 1fkr n ILE 7 Cb 0.52 -1.37 -0.12 0.00 -0.71 0.00 0.00 39.64 37.96 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkr s SER 8 N -5.35 4.17 0.80 4.38 0.01 -1.06 -5.00 113.70 111.65 1fkr s SER 8 Ca 0.00 -3.46 -0.16 0.00 1.31 0.00 0.00 55.95 53.64 1fkr s SER 8 Cb 0.00 -1.42 -0.13 0.00 0.21 0.00 0.00 66.02 64.68 1fkr s SER 8 CO 0.00 -0.14 -0.83 -2.65 0.41 0.00 0.00 173.24 170.02 1fkr n PRO 9 N 2.47 0.00 -2.53 12.44 -0.02 -1.26 -2.25 135.00 143.85 1fkr n PRO 9 Ca 0.17 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.58 1fkr n PRO 9 Cb 0.36 -0.80 -0.01 0.00 -0.02 0.00 0.00 33.50 33.03 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 2.79 3.97 0.36 -1.23 0.00 -1.25 -4.41 105.19 105.41 1fkr n GLY 10 Ca -0.02 -2.24 0.03 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.15 -0.47 0.00 1.61 5.68 -1.25 -4.79 116.55 116.18 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 0.14 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 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 0.47 0.01 6.12 0.00 -1.26 -4.90 105.19 104.07 1fkr n GLY 12 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.91 1.12 -4.02 1.61 1.74 -1.26 -5.02 116.66 108.92 1fkr n ARG 13 Ca 0.00 0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 1fkr n ARG 13 Cb 0.00 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.04 4.60 0.35 0.55 2.01 -1.26 -5.07 115.64 114.77 1fkr s THR 14 Ca -0.02 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.91 1fkr s THR 14 Cb 0.01 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1fkr s THR 14 CO 0.06 0.44 0.08 -0.36 -0.69 0.00 0.00 174.62 174.15 1fkr s PHE 15 N 0.58 1.87 0.15 4.92 0.40 -1.26 -0.93 117.98 123.71 1fkr s PHE 15 Ca 0.02 -1.07 -0.31 0.00 -0.60 0.00 0.00 56.93 54.97 1fkr s PHE 15 Cb -0.13 -1.22 -0.10 0.00 0.51 0.00 0.00 43.02 42.08 1fkr s PHE 15 CO 0.01 -0.10 1.63 -2.14 0.70 0.00 0.00 175.22 175.32 1fkr s PRO 16 N -3.86 4.19 0.38 0.24 0.02 -1.26 -4.90 135.00 129.82 1fkr s PRO 16 Ca 0.32 2.42 0.08 0.00 0.02 0.00 0.00 61.00 63.84 1fkr s PRO 16 Cb 0.07 -3.24 -0.07 0.00 0.02 0.00 0.00 34.50 31.28 1fkr s PRO 16 CO 0.15 -0.67 0.02 0.15 -0.33 0.00 0.00 177.00 176.31 1fkr s LYS 17 N 1.50 2.00 -0.01 5.54 1.02 -1.26 -4.97 119.74 123.56 1fkr s LYS 17 Ca 0.72 -1.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 1fkr s LYS 17 Cb -0.44 -1.78 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 1fkr s LYS 17 CO 0.32 0.03 1.51 0.50 -0.92 0.00 0.00 175.35 176.79 1fkr s ARG 18 N -3.72 4.23 0.00 1.68 6.06 -1.26 -2.58 118.95 123.36 1fkr s ARG 18 Ca 0.35 2.08 0.00 0.00 -2.50 0.00 0.00 55.73 55.67 1fkr s ARG 18 Cb 0.05 -3.69 0.00 0.00 0.06 0.00 0.00 34.95 31.36 1fkr s ARG 18 CO 0.19 -0.69 0.00 0.41 -2.50 0.00 0.00 175.30 172.71 1fkr n GLY 19 N 3.84 2.52 3.87 8.12 0.00 -1.26 -5.09 105.19 117.18 1fkr n GLY 19 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.31 2.24 0.37 1.61 -0.21 -1.07 -5.08 119.66 117.22 1fkr s GLN 20 Ca 0.00 -2.09 0.08 0.00 0.02 0.00 0.00 55.36 53.37 1fkr s GLN 20 Cb 0.00 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1fkr s GLN 20 CO 0.00 -0.54 0.20 0.99 -2.12 0.00 0.00 175.29 173.82 1fkr s THR 21 N -2.79 2.83 0.08 -0.19 2.01 -1.26 -4.03 115.64 112.30 1fkr s THR 21 Ca 0.28 -1.62 0.09 0.00 0.31 0.00 0.00 61.69 60.75 1fkr s THR 21 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1fkr s THR 21 CO 0.17 -0.11 -0.23 0.00 -0.69 0.00 0.00 174.62 173.76 1fkr s VAL 23 N -0.97 1.93 0.07 0.00 1.01 0.14 -1.77 120.40 120.80 1fkr s VAL 23 Ca 0.14 -2.08 0.10 0.00 0.00 0.00 0.00 61.98 60.14 1fkr s VAL 23 Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1fkr s VAL 23 CO 0.05 -0.59 -0.26 0.68 0.00 0.00 0.00 175.10 174.98 1fkr s VAL 24 N 1.09 2.12 0.00 2.92 -7.23 0.46 0.34 120.40 120.10 1fkr s VAL 24 Ca 0.10 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 1fkr s VAL 24 Cb -0.19 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1fkr s VAL 24 CO -0.12 0.28 -0.24 -2.28 -0.31 0.00 0.00 175.10 172.43 1fkr s HIS 25 N -0.87 2.16 0.35 2.82 5.65 -1.05 -0.47 115.29 123.88 1fkr s HIS 25 Ca 0.12 -0.40 -0.17 0.00 0.25 0.00 0.00 55.06 54.85 1fkr s HIS 25 Cb -0.10 -1.35 0.05 0.00 -1.18 0.00 0.00 32.58 30.00 1fkr s HIS 25 CO 0.03 0.02 0.79 1.52 -0.65 0.00 0.00 174.74 176.44 1fkr s TYR 26 N -0.65 0.05 -0.06 3.88 1.13 -1.26 -0.92 117.35 119.53 1fkr s TYR 26 Ca 0.10 -0.67 -0.01 0.00 -1.41 0.00 0.00 57.07 55.07 1fkr s TYR 26 Cb -0.09 0.81 0.03 0.00 -1.10 0.00 0.00 41.96 41.60 1fkr s TYR 26 CO 0.00 -1.48 0.01 0.99 -2.51 0.00 0.00 175.55 172.57 1fkr s THR 27 N -2.63 0.23 -0.30 -3.49 2.01 -1.07 -3.98 115.64 106.41 1fkr s THR 27 Ca 0.15 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 1fkr s THR 27 Cb -0.05 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1fkr s THR 27 CO 0.10 0.22 0.05 -0.83 -0.69 0.00 0.00 174.62 173.48 1fkr s GLY 28 N 1.83 1.77 0.43 4.40 0.00 0.38 -1.99 107.32 114.14 1fkr s GLY 28 Ca 0.02 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.23 1fkr s GLY 28 CO -0.04 0.66 0.03 -0.29 0.00 0.00 0.00 173.10 173.46 1fkr s MET 29 N 1.42 1.99 0.26 2.90 1.75 -0.97 -3.32 119.30 123.33 1fkr s MET 29 Ca 0.00 -2.19 0.00 0.00 -1.25 0.00 0.00 55.69 52.26 1fkr s MET 29 Cb -0.18 -1.35 0.00 0.00 2.84 0.00 0.00 34.83 36.15 1fkr s MET 29 CO 0.01 -0.24 0.02 1.28 -0.65 0.00 0.00 175.02 175.44 1fkr n LEU 30 N -1.02 0.00 -1.49 4.11 4.77 -1.26 -2.34 117.00 119.77 1fkr n LEU 30 Ca -0.10 -1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 54.24 1fkr n LEU 30 Cb 0.67 0.16 0.13 0.00 -2.33 0.00 0.00 43.42 42.05 1fkr n LEU 30 CO 0.42 -0.24 0.79 1.21 -1.33 0.00 0.00 177.39 178.24 1fkr n GLU 31 N -0.68 2.11 0.00 3.23 2.13 -1.26 -3.95 120.64 122.22 1fkr n GLU 31 Ca -0.10 -1.56 0.00 0.00 0.66 0.00 0.00 57.16 56.16 1fkr n GLU 31 Cb 0.32 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1fkr n ASP 32 N -0.11 0.00 0.00 4.31 5.68 -1.26 -5.08 116.55 120.09 1fkr n ASP 32 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1fkr n ASP 32 Cb 0.98 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 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 2.20 1.98 2.65 6.12 0.00 -1.25 -5.08 105.19 111.81 1fkr n GLY 33 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.32 0.00 1.61 4.01 -1.26 -4.99 118.16 120.80 1fkr n LYS 34 Ca 0.00 -4.68 0.00 0.00 -0.51 0.00 0.00 58.31 53.12 1fkr n LYS 34 Cb 0.00 -2.33 0.00 0.00 -0.51 0.00 0.00 35.03 32.19 1fkr n LYS 34 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1fkr n LYS 35 N 0.74 0.00 0.00 1.97 2.85 -1.26 -4.86 118.16 117.60 1fkr n LYS 35 Ca 0.30 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1fkr n LYS 35 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 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 -3.51 5.58 -1.74 -1.25 -5.01 117.46 111.53 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 -2.43 2.76 0.46 5.98 1.01 -1.21 -5.08 116.67 118.16 1fkr s ASP 37 Ca 0.00 -2.56 0.06 0.00 0.71 0.00 0.00 52.55 50.76 1fkr s ASP 37 Cb 0.00 -0.57 -0.02 0.00 1.01 0.00 0.00 42.92 43.34 1fkr s ASP 37 CO 0.00 -0.26 0.25 -0.44 0.21 0.00 0.00 175.17 174.93 1fkr s SER 38 N 0.58 4.53 0.00 0.27 0.01 -1.26 -0.47 113.70 117.36 1fkr s SER 38 Ca 0.22 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1fkr s SER 38 Cb -0.15 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1fkr s SER 38 CO -0.05 -0.74 0.00 -1.54 0.41 0.00 0.00 173.24 171.32 1fkr n SER 39 N -1.42 0.00 -3.55 2.44 3.41 -1.26 -4.91 113.62 108.33 1fkr n SER 39 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.32 1fkr n SER 39 Cb 0.64 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 1.03 -0.64 4.33 0.63 -1.26 -4.95 116.66 115.80 1fkr n ARG 40 Ca 0.00 -3.78 -0.12 0.00 -0.92 0.00 0.00 57.85 53.04 1fkr n ARG 40 Cb 0.00 -1.89 0.06 0.00 0.45 0.00 0.00 32.46 31.07 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 2.20 4.55 -0.07 6.15 -0.08 -1.26 -3.91 116.55 124.13 1fkr n ASP 41 Ca 0.25 -2.78 -0.05 0.00 -1.51 0.00 0.00 54.79 50.71 1fkr n ASP 41 Cb 0.43 -0.82 -0.02 0.00 2.34 0.00 0.00 41.12 43.06 1fkr n ASP 41 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1fkr n ARG 42 N 0.12 0.42 -0.01 -0.67 0.63 -1.26 -4.92 116.66 110.97 1fkr n ARG 42 Ca 0.25 0.46 -0.02 0.00 -0.92 0.00 0.00 57.85 57.62 1fkr n ARG 42 Cb 0.81 -1.57 -0.01 0.00 0.45 0.00 0.00 32.46 32.14 1fkr n ARG 42 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1fkr n ASN 43 N -4.39 0.59 -4.40 6.15 4.05 -1.26 -5.08 115.26 110.93 1fkr n ASN 43 Ca -0.07 0.09 -0.26 0.00 0.45 0.00 0.00 54.58 54.78 1fkr n ASN 43 Cb 0.27 -0.35 -0.12 0.00 1.23 0.00 0.00 39.78 40.81 1fkr n ASN 43 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1fkr s LYS 44 N -1.56 1.45 0.00 1.20 1.02 -1.26 -5.15 119.74 115.45 1fkr s LYS 44 Ca -0.05 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1fkr s LYS 44 Cb 0.01 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1fkr s LYS 44 CO 0.08 0.38 0.00 -0.35 -0.92 0.00 0.00 175.35 174.54 1fkr n PRO 45 N 0.38 2.14 -3.72 -1.68 -0.04 -1.25 -4.39 135.00 126.44 1fkr n PRO 45 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1fkr n PRO 45 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.87 3.50 -0.03 0.54 5.36 0.38 -4.86 117.98 123.74 1fkr s PHE 46 Ca 0.00 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.47 1fkr s PHE 46 Cb 0.00 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 1fkr s PHE 46 CO 0.00 0.48 0.08 0.15 -1.46 0.00 0.00 175.22 174.47 1fkr s LYS 47 N -2.51 0.06 0.26 10.12 1.02 -1.26 -0.41 119.74 127.02 1fkr s LYS 47 Ca 0.38 0.18 -0.07 0.00 0.02 0.00 0.00 55.97 56.48 1fkr s LYS 47 Cb -0.12 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 1fkr s LYS 47 CO 0.24 -0.08 0.39 -0.59 -0.92 0.00 0.00 175.35 174.40 1fkr s PHE 48 N 0.51 0.73 0.10 3.18 -0.12 -0.73 -4.93 117.98 116.72 1fkr s PHE 48 Ca -0.04 -1.03 0.08 0.00 -0.05 0.00 0.00 56.93 55.90 1fkr s PHE 48 Cb -0.06 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1fkr s PHE 48 CO -0.02 -0.95 -0.18 1.41 -0.05 0.00 0.00 175.22 175.44 1fkr s MET 49 N -3.81 1.85 -0.27 1.99 -2.45 -1.26 0.29 119.30 115.65 1fkr s MET 49 Ca 0.28 -1.13 -0.19 0.00 -1.25 0.00 0.00 55.69 53.40 1fkr s MET 49 Cb 0.01 -2.13 -0.02 0.00 1.25 0.00 0.00 34.83 33.94 1fkr s MET 49 CO 0.13 0.49 0.59 -1.17 1.05 0.00 0.00 175.02 176.11 1fkr s LEU 50 N -1.99 4.08 0.00 4.11 2.96 -1.26 -3.97 118.68 122.61 1fkr s LEU 50 Ca 0.17 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1fkr s LEU 50 Cb -0.11 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1fkr s LEU 50 CO 0.09 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 1fkr n GLY 51 N 4.30 1.48 1.42 7.98 0.00 -1.26 -4.59 105.19 114.52 1fkr n GLY 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.47 0.00 0.00 1.61 4.81 -1.25 -5.10 118.16 117.75 1fkr n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1fkr n LYS 52 Cb 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 34.75 1fkr n LYS 52 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1fkr n GLN 53 N -3.09 0.00 -0.06 1.64 -0.06 -1.26 -5.06 117.38 109.49 1fkr n GLN 53 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 1fkr n GLN 53 Cb 0.17 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.29 1fkr n GLN 53 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1fkr n GLU 54 N 0.00 1.01 -4.38 3.69 -0.58 -1.26 -5.02 120.64 114.10 1fkr n GLU 54 Ca 0.00 0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.51 1fkr n GLU 54 Cb 0.00 -1.26 -0.12 0.00 -0.57 0.00 0.00 31.44 29.50 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fkr s VAL 55 N -2.25 2.51 0.51 2.62 -7.23 -1.26 -5.13 120.40 110.16 1fkr s VAL 55 Ca -0.13 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1fkr s VAL 55 Cb 0.04 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.91 1fkr s VAL 55 CO 0.34 -0.03 0.24 2.30 -0.31 0.00 0.00 175.10 177.64 1fkr n ILE 56 N 0.50 0.00 -0.07 -0.62 -5.35 -1.26 -4.65 119.36 107.91 1fkr n ILE 56 Ca -0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1fkr n ILE 56 Cb 0.55 -0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.11 1fkr n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkr h ARG 57 N 0.00 0.00 -0.11 6.28 2.43 -1.74 -2.92 114.38 118.32 1fkr h ARG 57 Ca -0.11 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1fkr h ARG 57 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1fkr h ARG 57 CO 0.06 0.54 0.97 0.78 -1.51 0.00 0.00 179.97 180.81 1fkr h GLY 58 N -1.00 0.00 0.00 2.80 0.00 -1.88 0.37 103.07 103.36 1fkr h GLY 58 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1fkr h GLY 58 CO -0.05 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.28 1fkr n TRP 59 N -2.61 0.00 -0.28 5.60 7.02 -1.25 -1.97 117.44 123.94 1fkr n TRP 59 Ca 0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.57 1fkr n TRP 59 Cb 1.00 -0.06 0.15 0.00 -2.42 0.00 0.00 31.31 29.98 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 -1.47 -0.07 0.05 -0.99 2.13 -0.69 0.28 120.64 119.87 1fkr n GLU 60 Ca 0.00 1.21 -0.10 0.00 0.66 0.00 0.00 57.16 58.93 1fkr n GLU 60 Cb 0.00 -1.85 -0.07 0.00 0.27 0.00 0.00 31.44 29.79 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fkr h GLU 61 N 0.00 -0.20 0.00 5.31 4.57 -0.53 -2.57 114.58 121.15 1fkr h GLU 61 Ca 0.41 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1fkr h GLU 61 Cb 0.70 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1fkr h GLU 61 CO -0.79 0.23 0.00 0.41 -1.18 0.00 0.00 179.01 177.68 1fkr n GLY 62 N 0.69 -3.04 0.18 1.92 0.00 0.35 -2.80 105.19 102.48 1fkr n GLY 62 Ca -0.07 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.59 -0.22 -0.15 1.61 0.31 0.78 0.81 118.33 120.89 1fkr n VAL 63 Ca 0.00 1.15 -0.12 0.00 -0.01 0.00 0.00 64.34 65.36 1fkr n VAL 63 Cb 0.00 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.18 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 1.04 -0.63 0.00 3.52 0.00 -1.29 0.55 119.26 122.45 1fkr h ALA 64 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1fkr h ALA 64 Cb 0.63 1.05 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1fkr h ALA 64 CO -0.49 -0.98 0.24 0.94 0.00 0.00 0.00 179.25 178.96 1fkr n GLN 65 N -5.39 0.00 -3.98 0.00 7.27 0.24 -4.45 117.38 111.07 1fkr n GLN 65 Ca -0.02 0.25 -0.25 0.00 0.07 0.00 0.00 57.00 57.05 1fkr n GLN 65 Cb 0.35 -1.74 -0.03 0.00 2.41 0.00 0.00 30.24 31.22 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 -2.48 3.32 0.10 3.69 -1.94 0.19 -5.11 119.30 117.06 1fkr s MET 66 Ca 0.00 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 1fkr s MET 66 Cb 0.00 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1fkr s MET 66 CO 0.00 0.49 -0.17 -1.54 -0.01 0.00 0.00 175.02 173.78 1fkr s SER 67 N -3.42 3.91 -0.97 3.03 1.04 -1.26 -4.40 113.70 111.63 1fkr s SER 67 Ca 0.34 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1fkr s SER 67 Cb -0.10 -0.58 -0.27 0.00 0.10 0.00 0.00 66.02 65.16 1fkr s SER 67 CO 0.28 0.20 2.41 0.52 0.98 0.00 0.00 173.24 177.62 1fkr n VAL 68 N 0.95 -0.00 0.00 5.02 0.31 -0.11 0.12 118.33 124.62 1fkr n VAL 68 Ca -0.16 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1fkr n VAL 68 Cb 0.53 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 6.00 1.56 3.67 2.92 0.00 -0.92 -3.83 105.19 114.59 1fkr n GLY 69 Ca 0.65 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.10 2.78 -0.02 1.61 0.74 0.31 -3.89 119.66 121.09 1fkr s GLN 70 Ca 0.00 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 54.86 1fkr s GLN 70 Cb 0.00 -2.66 -0.01 0.00 1.10 0.00 0.00 33.01 31.44 1fkr s GLN 70 CO 0.00 0.63 -0.18 0.50 -0.55 0.00 0.00 175.29 175.69 1fkr s ARG 71 N -1.46 1.48 0.31 1.67 3.52 -0.96 -1.75 118.95 121.77 1fkr s ARG 71 Ca 0.18 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1fkr s ARG 71 Cb -0.11 -1.41 -0.00 0.00 -1.56 0.00 0.00 34.95 31.86 1fkr s ARG 71 CO 0.09 0.37 0.44 0.00 -0.81 0.00 0.00 175.30 175.38 1fkr s ALA 72 N -0.36 0.66 -0.28 6.12 0.00 0.07 -0.81 121.76 127.15 1fkr s ALA 72 Ca 0.06 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1fkr s ALA 72 Cb -0.07 1.17 0.08 0.00 0.00 0.00 0.00 23.12 24.30 1fkr s ALA 72 CO -0.00 -0.78 0.03 0.21 0.00 0.00 0.00 175.76 175.22 1fkr s LYS 73 N -3.34 1.19 0.03 0.00 2.20 0.04 -1.23 119.74 118.63 1fkr s LYS 73 Ca 0.30 -1.19 -0.05 0.00 -0.36 0.00 0.00 55.97 54.66 1fkr s LYS 73 Cb 0.00 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1fkr s LYS 73 CO 0.18 -0.82 0.27 -0.51 -0.36 0.00 0.00 175.35 174.10 1fkr s LEU 74 N 1.39 4.36 -0.29 5.43 1.02 -0.46 -2.01 118.68 128.11 1fkr s LEU 74 Ca 0.04 0.51 0.03 0.00 0.02 0.00 0.00 54.13 54.73 1fkr s LEU 74 Cb -0.18 -2.78 0.07 0.00 0.02 0.00 0.00 46.19 43.32 1fkr s LEU 74 CO -0.14 0.22 -0.05 -0.89 0.02 0.00 0.00 176.35 175.51 1fkr s THR 75 N -1.37 2.30 -0.10 5.49 2.01 -1.01 -1.95 115.64 121.01 1fkr s THR 75 Ca 0.30 -1.81 -0.05 0.00 0.31 0.00 0.00 61.69 60.44 1fkr s THR 75 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1fkr s THR 75 CO 0.19 -0.20 0.11 -0.63 -0.69 0.00 0.00 174.62 173.39 1fkr s ILE 76 N 1.06 5.18 0.18 1.82 1.01 -0.36 -2.29 121.20 127.79 1fkr s ILE 76 Ca -0.03 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.74 1fkr s ILE 76 Cb -0.20 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1fkr s ILE 76 CO -0.05 0.58 -0.03 -0.94 0.00 0.00 0.00 174.94 174.50 1fkr s SER 77 N -1.09 4.59 0.20 3.58 1.04 -1.25 -1.94 113.70 118.82 1fkr s SER 77 Ca 0.16 -0.46 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 1fkr s SER 77 Cb -0.12 -0.91 0.18 0.00 0.10 0.00 0.00 66.02 65.27 1fkr s SER 77 CO 0.05 0.09 1.36 -0.81 0.98 0.00 0.00 173.24 174.91 1fkr n PRO 78 N -0.08 -0.23 -0.27 4.02 -0.04 -1.26 -0.58 135.00 136.57 1fkr n PRO 78 Ca -0.10 1.35 0.25 0.00 -0.04 0.00 0.00 63.50 64.96 1fkr n PRO 78 Cb 0.55 -2.00 0.44 0.00 -0.04 0.00 0.00 33.50 32.46 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 -5.27 0.21 -0.10 3.54 5.75 -1.26 -0.84 116.55 118.57 1fkr n ASP 79 Ca 0.08 1.10 -0.21 0.00 -0.01 0.00 0.00 54.79 55.75 1fkr n ASP 79 Cb 0.34 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1fkr n TYR 80 N -4.41 0.00 0.00 2.11 4.02 0.25 -4.67 117.16 114.47 1fkr n TYR 80 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1fkr n TYR 80 Cb 0.99 -0.73 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr n ALA 81 N -4.00 0.00 0.00 -0.72 0.00 -0.71 -3.43 120.51 111.65 1fkr n ALA 81 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1fkr n ALA 81 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1fkr n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkr n TYR 82 N 0.00 0.00 0.00 0.00 4.01 -1.22 -4.30 117.16 115.65 1fkr n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fkr n TYR 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.70 0.53 1.43 2.72 0.00 -0.02 -4.81 105.19 106.74 1fkr n GLY 83 Ca 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.00 4.13 -2.47 4.61 0.00 -1.26 -4.33 120.51 120.19 1fkr n ALA 84 Ca 0.00 -2.64 -0.15 0.00 0.00 0.00 0.00 53.44 50.65 1fkr n ALA 84 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 19.45 18.53 1fkr n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 85 N -0.67 1.84 -0.82 0.00 -1.04 -1.26 -4.78 114.28 107.56 1fkr n THR 85 Ca 0.35 -3.77 -0.24 0.00 -2.04 0.00 0.00 64.05 58.35 1fkr n THR 85 Cb 1.16 -0.11 0.06 0.00 -1.82 0.00 0.00 70.33 69.62 1fkr n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fkr n GLY 86 N -0.51 -2.30 3.48 3.41 0.00 -1.26 -4.96 105.19 103.05 1fkr n GLY 86 Ca 0.26 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1fkr n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkr s HIS 87 N -2.04 2.61 0.50 1.61 5.04 0.75 -4.62 115.29 119.14 1fkr s HIS 87 Ca 0.28 -0.22 -0.20 0.00 -1.54 0.00 0.00 55.06 53.38 1fkr s HIS 87 Cb 0.03 -1.48 -0.07 0.00 0.04 0.00 0.00 32.58 31.09 1fkr s HIS 87 CO 0.43 0.28 1.09 -1.25 -2.34 0.00 0.00 174.74 172.94 1fkr s PRO 88 N -1.48 3.65 0.00 2.88 0.04 -1.26 -1.46 135.00 137.38 1fkr s PRO 88 Ca 0.15 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1fkr s PRO 88 Cb -0.11 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1fkr s PRO 88 CO 0.06 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1fkr n GLY 89 N 0.03 3.10 0.89 0.56 0.00 -1.26 -4.74 105.19 103.76 1fkr n GLY 89 Ca 0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 1.00 -3.88 -0.61 5.41 -1.26 -4.96 119.36 115.07 1fkr n ILE 90 Ca 0.00 0.31 -0.31 0.00 1.00 0.00 0.00 62.75 63.75 1fkr n ILE 90 Cb 0.00 -1.57 -0.12 0.00 -0.71 0.00 0.00 39.64 37.24 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 -1.89 2.95 0.76 1.39 -1.09 -1.13 -5.04 121.20 117.16 1fkr s ILE 91 Ca -0.03 -3.61 -0.13 0.00 -2.23 0.00 0.00 60.65 54.65 1fkr s ILE 91 Cb 0.00 -2.98 0.19 0.00 -1.58 0.00 0.00 42.46 38.10 1fkr s ILE 91 CO 0.05 -0.89 0.57 -2.65 -1.23 0.00 0.00 174.94 170.79 1fkr n PRO 92 N 2.75 -2.87 -0.60 2.79 -0.02 -0.53 0.27 135.00 136.78 1fkr n PRO 92 Ca 0.11 -0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 60.35 1fkr n PRO 92 Cb 0.34 -1.00 0.20 0.00 -0.02 0.00 0.00 33.50 33.02 1fkr n PRO 92 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1fkr n PRO 93 N -3.76 -1.98 -1.37 0.52 -0.02 -1.26 -3.97 135.00 123.16 1fkr n PRO 93 Ca 0.08 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1fkr n PRO 93 Cb 0.34 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1fkr n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1fkr n HIS 94 N -4.64 0.00 -3.18 6.00 -0.00 -1.26 -4.79 115.22 107.35 1fkr n HIS 94 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1fkr n HIS 94 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.53 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fkr n ALA 95 N -0.30 4.41 -0.66 1.57 0.00 -1.25 -5.07 120.51 119.21 1fkr n ALA 95 Ca 0.00 -4.75 -0.24 0.00 0.00 0.00 0.00 53.44 48.45 1fkr n ALA 95 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 0.33 0.41 -3.98 0.00 -1.04 -1.26 -4.92 114.28 103.82 1fkr n THR 96 Ca 0.31 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.05 61.87 1fkr n THR 96 Cb 0.40 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.62 4.21 -0.18 -4.42 1.43 -0.82 -4.37 118.68 115.15 1fkr s LEU 97 Ca 0.36 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1fkr s LEU 97 Cb -0.50 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 43.49 1fkr s LEU 97 CO 0.26 0.33 -0.01 -0.69 0.23 0.00 0.00 176.35 176.46 1fkr s VAL 98 N -1.16 0.84 0.31 -1.59 1.01 -0.99 -1.22 120.40 117.60 1fkr s VAL 98 Ca 0.21 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1fkr s VAL 98 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1fkr s VAL 98 CO 0.11 -0.04 0.25 -0.36 0.00 0.00 0.00 175.10 175.06 1fkr s PHE 99 N 1.73 2.97 -0.44 5.22 0.40 -0.82 -2.30 117.98 124.74 1fkr s PHE 99 Ca -0.01 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1fkr s PHE 99 Cb -0.16 -1.65 0.13 0.00 0.51 0.00 0.00 43.02 41.85 1fkr s PHE 99 CO -0.07 0.30 0.23 -0.51 0.70 0.00 0.00 175.22 175.87 1fkr s ASP 100 N -3.94 3.71 0.10 1.36 1.01 -0.84 -1.36 116.67 116.71 1fkr s ASP 100 Ca 0.38 -2.61 0.04 0.00 0.71 0.00 0.00 52.55 51.06 1fkr s ASP 100 Cb -0.06 -1.07 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 1fkr s ASP 100 CO 0.26 -0.27 0.09 -0.69 0.21 0.00 0.00 175.17 174.77 1fkr s VAL 101 N 0.36 4.50 -0.29 -1.27 1.01 -0.36 -2.59 120.40 121.75 1fkr s VAL 101 Ca 0.17 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1fkr s VAL 101 Cb -0.24 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1fkr s VAL 101 CO -0.00 0.06 0.04 -0.70 0.00 0.00 0.00 175.10 174.50 1fkr s GLU 102 N -2.59 1.17 -0.11 2.72 2.12 -0.09 -0.75 118.70 121.15 1fkr s GLU 102 Ca 0.30 -1.23 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 1fkr s GLU 102 Cb -0.12 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1fkr s GLU 102 CO 0.22 -0.85 1.37 -1.17 -0.54 0.00 0.00 175.26 174.30 1fkr s LEU 103 N 1.38 4.24 -0.17 2.70 2.96 -0.72 -2.54 118.68 126.52 1fkr s LEU 103 Ca 0.05 1.88 -0.15 0.00 -0.22 0.00 0.00 54.13 55.69 1fkr s LEU 103 Cb -0.18 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 1fkr s LEU 103 CO -0.14 -0.79 -0.01 0.18 -1.32 0.00 0.00 176.35 174.27 1fkr n LEU 104 N 6.53 1.83 -3.83 -0.68 4.77 0.15 -2.17 117.00 123.60 1fkr n LEU 104 Ca 0.14 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.62 1fkr n LEU 104 Cb 0.44 -0.91 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1fkr n LEU 104 CO 0.58 -0.14 0.70 -0.75 -1.33 0.00 0.00 177.39 176.45 1fkr s LYS 105 N -2.30 1.52 0.06 3.23 2.20 -1.04 -4.30 119.74 119.12 1fkr s LYS 105 Ca -0.21 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 54.54 1fkr s LYS 105 Cb 0.04 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.78 1fkr s LYS 105 CO 0.38 -0.71 -0.20 -0.51 -0.36 0.00 0.00 175.35 173.95 1fkr s LEU 106 N -3.16 2.51 0.00 5.43 1.43 -1.26 0.28 118.68 123.92 1fkr s LEU 106 Ca 0.17 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1fkr s LEU 106 Cb -0.03 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1fkr s LEU 106 CO 0.06 0.24 0.20 -0.62 0.23 0.00 0.00 176.35 176.45