#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjr s ILE 2 N 0.00 2.54 -0.22 5.18 1.01 -1.26 -4.86 121.20 123.58 1fjr s ILE 2 Ca 0.00 0.50 -0.38 0.00 0.00 0.00 0.00 60.65 60.77 1fjr s ILE 2 Cb 0.00 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.01 1fjr s ILE 2 CO 0.00 0.10 1.84 -0.11 0.00 0.00 0.00 174.94 176.77 1fjr n LEU 3 N 1.38 2.74 -4.16 2.97 7.94 -1.26 -2.56 117.00 124.04 1fjr n LEU 3 Ca 0.03 0.98 -0.35 0.00 -1.11 0.00 0.00 56.01 55.57 1fjr n LEU 3 Cb 0.40 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 1fjr n LEU 3 CO 0.61 -0.32 -0.02 -0.62 -1.11 0.00 0.00 177.39 175.93 1fjr n GLU 4 N 6.09 -3.52 -4.09 1.96 1.02 -1.26 -4.96 120.64 115.88 1fjr n GLU 4 Ca 0.27 0.41 -0.29 0.00 -0.02 0.00 0.00 57.16 57.53 1fjr n GLU 4 Cb 0.19 -5.12 -0.17 0.00 -0.02 0.00 0.00 31.44 26.33 1fjr n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fjr s ASP 6 N 1.43 6.23 0.31 0.00 2.15 -1.26 -4.69 116.67 120.83 1fjr s ASP 6 Ca 0.02 2.44 0.05 0.00 0.43 0.00 0.00 52.55 55.49 1fjr s ASP 6 Cb -0.13 -2.62 0.67 0.00 -0.30 0.00 0.00 42.92 40.54 1fjr s ASP 6 CO -0.08 -0.88 1.83 0.22 -0.17 0.00 0.00 175.17 176.08 1fjr h TYR 7 N 2.33 1.05 0.00 -5.34 3.20 -1.98 -0.68 116.97 115.54 1fjr h TYR 7 Ca -0.49 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1fjr h TYR 7 Cb 1.25 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1fjr h TYR 7 CO 0.53 0.35 0.00 1.19 -1.64 0.00 0.00 178.16 178.60 1fjr n PHE 8 N -4.64 0.00 -0.23 -3.82 3.01 -1.26 -1.42 117.46 109.10 1fjr n PHE 8 Ca 0.20 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.71 1fjr n PHE 8 Cb 0.45 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 40.05 1fjr n PHE 8 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1fjr n ASP 9 N -0.52 2.80 -4.78 4.37 10.43 -0.26 -4.97 116.55 123.62 1fjr n ASP 9 Ca 0.01 -2.11 -0.22 0.00 2.57 0.00 0.00 54.79 55.04 1fjr n ASP 9 Cb 0.00 -0.21 -0.05 0.00 1.84 0.00 0.00 41.12 42.70 1fjr n ASP 9 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1fjr s THR 10 N -1.19 3.45 0.04 -3.53 -4.23 -0.50 -3.38 115.64 106.29 1fjr s THR 10 Ca 0.20 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1fjr s THR 10 Cb 0.12 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1fjr s THR 10 CO 0.12 -0.22 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.25 1fjr s VAL 11 N -2.33 0.20 -0.18 2.29 1.01 -0.49 -4.92 120.40 115.98 1fjr s VAL 11 Ca 0.38 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1fjr s VAL 11 Cb -0.05 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1fjr s VAL 11 CO 0.24 -0.72 1.10 -0.62 0.00 0.00 0.00 175.10 175.10 1fjr s ASP 12 N -2.15 7.08 -0.09 3.32 -1.08 -1.26 -0.67 116.67 121.83 1fjr s ASP 12 Ca -0.05 1.52 0.12 0.00 -0.52 0.00 0.00 52.55 53.63 1fjr s ASP 12 Cb -0.02 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.19 1fjr s ASP 12 CO -0.05 -0.64 1.21 2.30 0.52 0.00 0.00 175.17 178.51 1fjr n ILE 13 N 5.13 1.61 0.28 4.11 -5.35 -0.28 -4.69 119.36 120.16 1fjr n ILE 13 Ca 0.12 -1.60 0.18 0.00 -0.27 0.00 0.00 62.75 61.17 1fjr n ILE 13 Cb 0.46 0.08 0.89 0.00 -1.74 0.00 0.00 39.64 39.33 1fjr n ILE 13 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1fjr h SER 14 N 0.93 0.00 -0.26 7.28 4.64 -1.86 0.36 113.55 124.63 1fjr h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fjr h SER 14 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1fjr h SER 14 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1fjr n ALA 15 N -2.07 2.47 -1.91 5.18 0.00 -1.26 -4.94 120.51 117.97 1fjr n ALA 15 Ca -0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 53.44 52.39 1fjr n ALA 15 Cb 0.34 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 1fjr n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjr s ALA 16 N -1.67 3.13 -0.25 0.00 0.00 0.13 -5.00 121.76 118.09 1fjr s ALA 16 Ca 0.35 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1fjr s ALA 16 Cb 0.20 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 20.30 1fjr s ALA 16 CO 0.29 -0.45 1.03 -0.65 0.00 0.00 0.00 175.76 175.97 1fjr s GLN 17 N -4.64 4.21 -0.36 0.00 1.11 -0.95 -4.88 119.66 114.14 1fjr s GLN 17 Ca 0.56 1.25 -0.25 0.00 0.01 0.00 0.00 55.36 56.93 1fjr s GLN 17 Cb -0.10 -3.66 0.01 0.00 -1.01 0.00 0.00 33.01 28.24 1fjr s GLN 17 CO 0.43 -0.68 0.87 0.21 0.01 0.00 0.00 175.29 176.13 1fjr s LYS 18 N 3.26 3.83 0.90 2.91 2.20 -1.26 -1.05 119.74 130.53 1fjr s LYS 18 Ca 0.43 0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 56.41 1fjr s LYS 18 Cb -0.14 -3.79 0.14 0.00 -1.51 0.00 0.00 37.83 32.52 1fjr s LYS 18 CO 0.08 -0.88 1.22 -0.51 -0.36 0.00 0.00 175.35 174.90 1fjr s LEU 19 N 3.30 2.44 0.07 5.43 1.43 0.13 -4.98 118.68 126.49 1fjr s LEU 19 Ca 0.35 0.61 -0.35 0.00 -1.03 0.00 0.00 54.13 53.72 1fjr s LEU 19 Cb -0.13 -2.88 -0.20 0.00 0.03 0.00 0.00 46.19 43.02 1fjr s LEU 19 CO 0.17 -2.39 1.61 1.56 0.23 0.00 0.00 176.35 177.53 1fjr h GLN 20 N -1.40 -1.02 0.00 1.70 7.50 -1.96 -2.61 115.11 117.33 1fjr h GLN 20 Ca -0.46 0.07 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1fjr h GLN 20 Cb 1.29 0.23 0.00 0.00 0.05 0.00 0.00 27.48 29.05 1fjr h GLN 20 CO 0.54 -0.68 0.00 0.27 -1.50 0.00 0.00 178.83 177.46 1fjr n ASN 21 N -5.54 0.00 0.00 1.46 0.23 -1.26 -4.79 115.26 105.36 1fjr n ASN 21 Ca -0.15 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.51 1fjr n ASN 21 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1fjr n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fjr n GLY 22 N -0.35 1.57 3.93 4.83 0.00 -0.98 -4.93 105.19 109.26 1fjr n GLY 22 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1fjr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fjr s SER 23 N -2.43 4.16 0.21 1.61 1.04 -1.26 -4.21 113.70 112.81 1fjr s SER 23 Ca 0.00 0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.95 1fjr s SER 23 Cb 0.00 -0.81 -0.05 0.00 0.10 0.00 0.00 66.02 65.27 1fjr s SER 23 CO 0.00 -2.06 -0.19 -0.31 0.98 0.00 0.00 173.24 171.65 1fjr s TYR 24 N -3.53 2.04 -0.38 5.02 1.51 0.22 -0.70 117.35 121.52 1fjr s TYR 24 Ca 0.66 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.29 1fjr s TYR 24 Cb -0.08 -0.96 0.11 0.00 -0.11 0.00 0.00 41.96 40.92 1fjr s TYR 24 CO 0.48 0.49 0.15 -1.17 -1.11 0.00 0.00 175.55 174.39 1fjr s LEU 25 N -3.04 5.07 -0.40 -1.29 2.96 -0.21 0.14 118.68 121.90 1fjr s LEU 25 Ca 0.22 -2.09 -0.12 0.00 -0.22 0.00 0.00 54.13 51.92 1fjr s LEU 25 Cb -0.05 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1fjr s LEU 25 CO 0.10 -0.48 0.27 0.12 -1.32 0.00 0.00 176.35 175.03 1fjr s PHE 26 N 1.04 3.26 -1.38 5.38 5.36 0.14 -2.25 117.98 129.52 1fjr s PHE 26 Ca 0.09 -0.94 -0.14 0.00 -0.96 0.00 0.00 56.93 54.98 1fjr s PHE 26 Cb -0.21 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1fjr s PHE 26 CO -0.06 -0.68 0.36 0.39 -1.46 0.00 0.00 175.22 173.77 1fjr n GLU 27 N 5.06 -1.02 -0.70 10.12 1.02 -1.26 0.12 120.64 133.97 1fjr n GLU 27 Ca -0.11 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1fjr n GLU 27 Cb 0.45 -3.36 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 1fjr n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fjr n GLY 28 N -2.27 1.53 3.64 0.62 0.00 -1.26 -5.02 105.19 102.43 1fjr n GLY 28 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1fjr n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fjr s LEU 29 N 0.00 3.71 -0.26 0.99 2.96 0.12 -5.07 118.68 121.14 1fjr s LEU 29 Ca 0.00 0.09 -0.26 0.00 -0.22 0.00 0.00 54.13 53.74 1fjr s LEU 29 Cb 0.00 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1fjr s LEU 29 CO 0.00 0.24 0.92 -0.22 -1.32 0.00 0.00 176.35 175.97 1fjr s LEU 30 N -0.02 4.07 -0.28 -0.68 2.96 -1.26 0.24 118.68 123.70 1fjr s LEU 30 Ca 0.05 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 55.04 1fjr s LEU 30 Cb -0.12 -3.33 0.04 0.00 0.50 0.00 0.00 46.19 43.28 1fjr s LEU 30 CO 0.01 -0.62 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.72 1fjr s VAL 31 N 3.07 3.01 0.55 1.68 1.01 0.38 -4.95 120.40 125.16 1fjr s VAL 31 Ca 0.39 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 1fjr s VAL 31 Cb -0.15 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1fjr s VAL 31 CO 0.09 -0.01 1.35 -2.84 0.00 0.00 0.00 175.10 173.69 1fjr s PRO 32 N 1.29 3.11 0.28 2.72 0.02 -1.26 0.69 135.00 141.84 1fjr s PRO 32 Ca -0.03 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1fjr s PRO 32 Cb -0.19 -2.23 0.60 0.00 0.02 0.00 0.00 34.50 32.71 1fjr s PRO 32 CO -0.02 -1.20 1.76 0.00 -0.33 0.00 0.00 177.00 177.21 1fjr h ALA 33 N 1.40 1.40 -0.12 -1.55 0.00 -1.91 -0.46 119.26 118.03 1fjr h ALA 33 Ca -0.51 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1fjr h ALA 33 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1fjr h ALA 33 CO 0.57 -0.09 0.10 0.97 0.00 0.00 0.00 179.25 180.80 1fjr h ILE 34 N 0.65 0.73 -0.32 0.00 6.09 -1.92 0.26 117.51 123.00 1fjr h ILE 34 Ca 0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.99 1fjr h ILE 34 Cb 0.75 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1fjr h ILE 34 CO -0.38 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 174.88 1fjr n LEU 35 N -4.19 2.43 -4.62 2.19 4.77 -0.18 -4.36 117.00 113.03 1fjr n LEU 35 Ca -0.00 -1.22 -0.23 0.00 -0.03 0.00 0.00 56.01 54.52 1fjr n LEU 35 Cb 0.21 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1fjr n LEU 35 CO 0.31 0.45 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.61 1fjr s THR 36 N -1.65 3.07 0.00 -5.08 2.01 0.90 -0.95 115.64 113.94 1fjr s THR 36 Ca 0.25 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1fjr s THR 36 Cb 0.15 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1fjr s THR 36 CO 0.13 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1fjr n GLY 37 N -0.89 1.01 3.78 4.40 0.00 -0.90 -4.75 105.19 107.84 1fjr n GLY 37 Ca -0.05 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1fjr n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fjr s GLU 38 N -2.00 4.33 -0.03 1.61 2.12 -1.26 -1.19 118.70 122.28 1fjr s GLU 38 Ca 0.00 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.22 1fjr s GLU 38 Cb 0.00 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1fjr s GLU 38 CO 0.00 0.51 -0.16 0.71 -0.54 0.00 0.00 175.26 175.78 1fjr s TYR 39 N -0.74 1.59 -0.19 5.30 1.51 0.58 -4.93 117.35 120.47 1fjr s TYR 39 Ca 0.32 -0.42 0.13 0.00 -1.01 0.00 0.00 57.07 56.09 1fjr s TYR 39 Cb -0.20 -1.06 0.42 0.00 -0.11 0.00 0.00 41.96 41.01 1fjr s TYR 39 CO 0.20 -0.13 1.21 -0.40 -1.11 0.00 0.00 175.55 175.33 1fjr n ASP 40 N 3.05 1.64 -3.73 2.29 5.75 -1.26 -1.11 116.55 123.18 1fjr n ASP 40 Ca -0.17 -3.70 -0.04 0.00 -0.01 0.00 0.00 54.79 50.87 1fjr n ASP 40 Cb 0.53 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1fjr n ASP 40 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1fjr s PHE 41 N -2.88 -0.17 0.03 2.11 -0.12 -1.25 -1.07 117.98 114.63 1fjr s PHE 41 Ca 0.37 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.15 1fjr s PHE 41 Cb 0.37 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 43.38 1fjr s PHE 41 CO -0.08 -0.83 -0.09 -0.98 -0.05 0.00 0.00 175.22 173.19 1fjr s ARG 42 N -3.33 0.63 -0.21 1.99 1.70 0.10 -4.81 118.95 115.02 1fjr s ARG 42 Ca 0.11 -0.63 -0.14 0.00 -0.47 0.00 0.00 55.73 54.60 1fjr s ARG 42 Cb -0.02 -0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 33.80 1fjr s ARG 42 CO 0.01 0.12 0.33 0.42 -1.08 0.00 0.00 175.30 175.10 1fjr s ILE 43 N -0.92 5.24 0.74 4.99 1.01 -1.26 -1.07 121.20 129.93 1fjr s ILE 43 Ca -0.04 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.06 1fjr s ILE 43 Cb -0.07 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1fjr s ILE 43 CO 0.01 0.27 1.08 -0.76 0.00 0.00 0.00 174.94 175.54 1fjr s LEU 44 N 1.27 2.85 0.58 2.97 1.43 0.15 -4.71 118.68 123.23 1fjr s LEU 44 Ca 0.16 1.37 0.29 0.00 -1.03 0.00 0.00 54.13 54.91 1fjr s LEU 44 Cb -0.14 -4.12 1.49 0.00 0.03 0.00 0.00 46.19 43.45 1fjr s LEU 44 CO 0.07 -1.62 1.92 1.55 0.23 0.00 0.00 176.35 178.50 1fjr h PRO 45 N -0.84 0.00 -0.60 1.29 0.13 -1.85 0.49 132.00 130.62 1fjr h PRO 45 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1fjr h PRO 45 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fjr h PRO 45 CO 0.60 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 1fjr n ASP 46 N -3.77 2.83 0.00 1.44 5.75 -1.26 -4.89 116.55 116.65 1fjr n ASP 46 Ca 0.08 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1fjr n ASP 46 Cb 0.64 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1fjr n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1fjr n ASP 47 N 0.47 0.00 -4.72 -1.12 8.00 0.17 -5.01 116.55 114.33 1fjr n ASP 47 Ca 0.14 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.29 1fjr n ASP 47 Cb 0.55 -0.25 0.10 0.00 -0.02 0.00 0.00 41.12 41.50 1fjr n ASP 47 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1fjr s SER 48 N -3.40 4.12 -0.14 -2.24 0.15 -1.25 -4.70 113.70 106.23 1fjr s SER 48 Ca 0.00 2.38 -0.04 0.00 0.70 0.00 0.00 55.95 58.98 1fjr s SER 48 Cb 0.00 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1fjr s SER 48 CO 0.00 -2.32 0.02 -0.54 1.20 0.00 0.00 173.24 171.60 1fjr s LYS 49 N -3.91 3.51 -0.14 5.44 1.02 -1.26 -0.67 119.74 123.72 1fjr s LYS 49 Ca 0.75 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.35 1fjr s LYS 49 Cb -0.30 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1fjr s LYS 49 CO 0.46 0.45 -0.19 -1.14 -0.92 0.00 0.00 175.35 174.01 1fjr s GLN 50 N -0.17 2.72 0.38 1.68 0.74 -0.23 -4.96 119.66 119.81 1fjr s GLN 50 Ca 0.06 -0.74 -0.27 0.00 0.05 0.00 0.00 55.36 54.46 1fjr s GLN 50 Cb -0.12 -2.30 -0.10 0.00 1.10 0.00 0.00 33.01 31.60 1fjr s GLN 50 CO 0.02 -0.11 1.32 0.15 -0.55 0.00 0.00 175.29 176.12 1fjr s LYS 51 N 1.08 4.12 0.06 1.67 3.01 -1.26 -0.72 119.74 127.70 1fjr s LYS 51 Ca -0.02 2.22 -0.11 0.00 -1.01 0.00 0.00 55.97 57.05 1fjr s LYS 51 Cb -0.14 -2.89 0.01 0.00 -1.01 0.00 0.00 37.83 33.79 1fjr s LYS 51 CO -0.06 -0.39 0.24 0.54 0.51 0.00 0.00 175.35 176.20 1fjr s VAL 52 N -1.20 0.11 0.32 3.17 0.11 -0.23 -4.84 120.40 117.83 1fjr s VAL 52 Ca 0.53 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 1fjr s VAL 52 Cb -0.40 -1.07 -0.13 0.00 -1.53 0.00 0.00 36.38 33.25 1fjr s VAL 52 CO 0.52 -0.49 1.27 0.00 -3.33 0.00 0.00 175.10 173.07 1fjr n ALA 53 N 0.34 1.05 -1.73 1.54 0.00 -1.26 -3.83 120.51 116.62 1fjr n ALA 53 Ca -0.17 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 1fjr n ALA 53 Cb 0.61 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 1fjr n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjr n ARG 54 N 0.85 2.51 -3.50 0.00 1.74 -1.26 -4.71 116.66 112.30 1fjr n ARG 54 Ca 0.07 0.89 -0.11 0.00 -0.77 0.00 0.00 57.85 57.92 1fjr n ARG 54 Cb 0.35 -2.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.14 1fjr n ARG 54 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1fjr s HIS 55 N -0.29 -0.43 -0.18 -1.55 -3.43 -0.26 -4.97 115.29 104.18 1fjr s HIS 55 Ca 0.62 0.18 -0.18 0.00 -0.80 0.00 0.00 55.06 54.88 1fjr s HIS 55 Cb -0.53 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.07 1fjr s HIS 55 CO 0.52 -0.83 0.50 -1.50 -2.00 0.00 0.00 174.74 171.43 1fjr s ILE 56 N -3.77 5.13 0.20 -5.38 1.10 -1.26 -0.31 121.20 116.91 1fjr s ILE 56 Ca 0.02 0.93 0.09 0.00 -0.51 0.00 0.00 60.65 61.18 1fjr s ILE 56 Cb -0.00 -3.82 -0.04 0.00 0.15 0.00 0.00 42.46 38.74 1fjr s ILE 56 CO -0.12 0.22 -0.11 -0.13 -2.11 0.00 0.00 174.94 172.69 1fjr s ARG 57 N 1.37 2.01 0.01 3.50 0.52 -0.33 -1.12 118.95 124.91 1fjr s ARG 57 Ca 0.24 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 1fjr s ARG 57 Cb -0.15 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 1fjr s ARG 57 CO 0.10 0.42 -0.14 0.20 0.02 0.00 0.00 175.30 175.89 1fjr s GLY 58 N -2.94 0.73 -1.43 -3.53 0.00 0.15 -2.13 107.32 98.16 1fjr s GLY 58 Ca 0.25 -0.70 -0.08 0.00 0.00 0.00 0.00 44.72 44.20 1fjr s GLY 58 CO 0.15 -0.64 2.55 0.00 0.00 0.00 0.00 173.10 175.16 1fjr h VAL 60 N 2.87 0.76 0.00 0.00 -1.51 -1.86 -2.89 116.25 113.62 1fjr h VAL 60 Ca 0.74 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1fjr h VAL 60 Cb 0.33 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1fjr h VAL 60 CO 1.61 0.16 0.00 0.00 -1.23 0.00 0.00 177.57 178.11 1fjr n LYS 62 N -2.54 0.18 -0.09 0.00 5.02 -1.09 -3.93 118.16 115.71 1fjr n LYS 62 Ca -0.02 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1fjr n LYS 62 Cb 0.07 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 1fjr n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fjr n LEU 63 N -1.90 1.19 -3.82 -0.35 4.77 0.73 -4.99 117.00 112.62 1fjr n LEU 63 Ca 0.05 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1fjr n LEU 63 Cb 0.40 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1fjr n LEU 63 CO 0.34 0.64 -0.06 -0.54 -1.33 0.00 0.00 177.39 176.44 1fjr s LYS 64 N -2.52 0.75 0.35 3.23 1.02 -0.63 -5.14 119.74 116.80 1fjr s LYS 64 Ca -0.17 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 1fjr s LYS 64 Cb 0.07 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 1fjr s LYS 64 CO 0.76 -0.23 1.31 -1.25 -0.92 0.00 0.00 175.35 175.02 1fjr s PRO 65 N -2.75 4.26 0.17 -1.68 0.04 -1.26 -4.11 135.00 129.67 1fjr s PRO 65 Ca -0.04 2.21 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1fjr s PRO 65 Cb -0.00 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1fjr s PRO 65 CO -0.05 -0.27 -0.02 0.00 0.04 0.00 0.00 177.00 176.70 1fjr s VAL 67 N -1.67 1.93 -0.56 0.00 -7.23 -0.63 -4.62 120.40 107.62 1fjr s VAL 67 Ca 0.27 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.25 1fjr s VAL 67 Cb -0.09 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.21 1fjr s VAL 67 CO 0.18 0.53 0.98 -0.60 -0.31 0.00 0.00 175.10 175.88 1fjr s ARG 68 N 0.41 3.36 0.27 4.82 6.06 -1.26 -1.57 118.95 131.03 1fjr s ARG 68 Ca -0.18 -0.19 0.05 0.00 -2.50 0.00 0.00 55.73 52.92 1fjr s ARG 68 Cb -0.18 -4.05 -0.02 0.00 0.06 0.00 0.00 34.95 30.76 1fjr s ARG 68 CO 0.08 -1.52 0.40 -0.06 -2.50 0.00 0.00 175.30 171.69 1fjr s PHE 69 N 4.11 3.34 0.00 5.12 0.40 -0.32 -0.60 117.98 130.04 1fjr s PHE 69 Ca 0.32 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.65 1fjr s PHE 69 Cb -0.12 -1.71 -0.23 0.00 0.51 0.00 0.00 43.02 41.47 1fjr s PHE 69 CO 0.20 0.30 0.83 0.00 0.70 0.00 0.00 175.22 177.25 1fjr n PRO 72 N -0.44 -1.10 -0.11 0.00 -0.02 -1.26 -4.68 135.00 127.39 1fjr n PRO 72 Ca 0.03 -0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.37 1fjr n PRO 72 Cb 0.64 -2.12 0.51 0.00 -0.02 0.00 0.00 33.50 32.50 1fjr n PRO 72 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1fjr h HIS 73 N -2.06 0.44 -0.61 6.00 2.07 -1.97 -2.56 115.15 116.46 1fjr h HIS 73 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1fjr h HIS 73 Cb 1.30 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1fjr h HIS 73 CO 0.37 0.20 0.00 -0.40 -3.07 0.00 0.00 177.93 175.03 1fjr n ASP 74 N -4.47 5.44 -4.95 3.10 5.68 -1.26 -4.90 116.55 115.19 1fjr n ASP 74 Ca 0.11 -2.76 -0.23 0.00 -0.50 0.00 0.00 54.79 51.41 1fjr n ASP 74 Cb 0.43 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1fjr n ASP 74 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1fjr s HIS 75 N -2.45 3.49 0.35 2.11 3.76 -0.97 -4.34 115.29 117.24 1fjr s HIS 75 Ca 0.54 0.25 0.08 0.00 -0.15 0.00 0.00 55.06 55.78 1fjr s HIS 75 Cb 0.39 -1.81 -0.07 0.00 1.11 0.00 0.00 32.58 32.21 1fjr s HIS 75 CO 0.19 0.22 -0.07 -1.50 -0.85 0.00 0.00 174.74 172.74 1fjr s ILE 76 N -2.21 2.08 -0.16 0.60 1.10 -0.23 -4.28 121.20 118.10 1fjr s ILE 76 Ca 0.38 -2.15 -0.01 0.00 -0.51 0.00 0.00 60.65 58.36 1fjr s ILE 76 Cb -0.09 -2.70 -0.01 0.00 0.15 0.00 0.00 42.46 39.81 1fjr s ILE 76 CO 0.34 -0.17 -0.10 -0.32 -2.11 0.00 0.00 174.94 172.58 1fjr s MET 77 N -3.65 3.38 -0.23 3.50 1.75 -1.26 -0.55 119.30 122.24 1fjr s MET 77 Ca 0.33 -0.66 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 1fjr s MET 77 Cb 0.04 -2.77 0.04 0.00 2.84 0.00 0.00 34.83 34.99 1fjr s MET 77 CO 0.16 0.07 -0.14 0.34 -0.65 0.00 0.00 175.02 174.80 1fjr s ASP 78 N 0.75 3.91 -1.34 1.11 3.68 0.53 -4.78 116.67 120.52 1fjr s ASP 78 Ca -0.04 -1.03 -0.06 0.00 2.13 0.00 0.00 52.55 53.54 1fjr s ASP 78 Cb -0.15 -1.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.78 1fjr s ASP 78 CO 0.02 -0.11 0.51 -3.20 0.13 0.00 0.00 175.17 172.52 1fjr n ASN 79 N 4.54 -1.58 0.00 -0.34 5.15 -1.26 -1.41 115.26 120.36 1fjr n ASN 79 Ca -0.17 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 1fjr n ASN 79 Cb 0.46 -3.04 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 1fjr n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fjr n GLY 80 N -1.93 0.80 3.25 8.20 0.00 -1.26 -4.99 105.19 109.26 1fjr n GLY 80 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1fjr n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjr s VAL 81 N -3.31 1.90 0.37 1.61 1.01 -0.50 -4.94 120.40 116.54 1fjr s VAL 81 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 1fjr s VAL 81 Cb 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1fjr s VAL 81 CO 0.00 0.53 1.36 0.00 0.00 0.00 0.00 175.10 176.99 1fjr s TYR 83 N -1.17 0.33 -1.23 0.00 5.04 0.29 -4.83 117.35 115.78 1fjr s TYR 83 Ca 0.52 -0.07 -0.14 0.00 -2.44 0.00 0.00 57.07 54.95 1fjr s TYR 83 Cb -0.41 -0.65 0.16 0.00 0.35 0.00 0.00 41.96 41.40 1fjr s TYR 83 CO 0.55 -0.33 1.53 -3.47 -1.34 0.00 0.00 175.55 172.49 1fjr n ASP 84 N 5.23 5.16 -1.24 4.32 2.03 -1.26 -1.07 116.55 129.72 1fjr n ASP 84 Ca -0.05 -2.98 0.02 0.00 0.52 0.00 0.00 54.79 52.30 1fjr n ASP 84 Cb 0.50 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1fjr n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1fjr n ASN 85 N 5.85 0.65 -4.71 1.67 5.15 -1.26 -5.04 115.26 117.56 1fjr n ASN 85 Ca 0.39 -1.98 -0.41 0.00 -0.60 0.00 0.00 54.58 51.97 1fjr n ASN 85 Cb 0.42 -0.24 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1fjr n ASN 85 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1fjr s MET 86 N 0.00 4.51 0.81 1.20 -1.94 -1.26 -5.04 119.30 117.57 1fjr s MET 86 Ca 0.24 1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 55.36 1fjr s MET 86 Cb 0.28 -3.46 0.08 0.00 2.01 0.00 0.00 34.83 33.73 1fjr s MET 86 CO -0.12 -0.04 1.09 -1.54 -0.01 0.00 0.00 175.02 174.40 1fjr s SER 87 N 0.96 4.20 0.52 3.03 1.04 -1.26 -4.79 113.70 117.40 1fjr s SER 87 Ca 0.47 1.76 0.19 0.00 0.48 0.00 0.00 55.95 58.85 1fjr s SER 87 Cb -0.20 -2.44 1.31 0.00 0.10 0.00 0.00 66.02 64.79 1fjr s SER 87 CO 0.24 -2.22 2.09 0.44 0.98 0.00 0.00 173.24 174.77 1fjr h ASP 88 N -1.26 0.01 0.18 7.02 3.32 -1.98 -1.10 116.42 122.61 1fjr h ASP 88 Ca -0.45 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1fjr h ASP 88 Cb 1.24 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1fjr h ASP 88 CO 0.52 0.01 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.88 1fjr h GLU 89 N 0.01 -0.24 -0.80 3.56 4.81 -1.99 -2.23 114.58 117.70 1fjr h GLU 89 Ca 0.10 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1fjr h GLU 89 Cb 0.38 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1fjr h GLU 89 CO -0.00 0.06 0.53 0.93 -0.73 0.00 0.00 179.01 179.79 1fjr h GLU 90 N -0.53 1.01 0.00 1.92 5.08 -1.74 0.11 114.58 120.43 1fjr h GLU 90 Ca -0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1fjr h GLU 90 Cb 0.40 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1fjr h GLU 90 CO 0.04 0.67 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.50 1fjr h LEU 91 N 1.04 0.00 0.17 1.33 3.38 -1.09 -0.71 115.31 119.42 1fjr h LEU 91 Ca 0.30 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.93 1fjr h LEU 91 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1fjr h LEU 91 CO -0.08 0.15 -1.71 0.00 0.09 0.00 0.00 178.44 176.89 1fjr h ALA 92 N 1.85 0.20 0.00 1.53 0.00 -0.45 -3.37 119.26 119.01 1fjr h ALA 92 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1fjr h ALA 92 Cb 0.29 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1fjr h ALA 92 CO 0.02 1.07 -0.39 -0.85 0.00 0.00 0.00 179.25 179.09 1fjr n GLU 93 N -3.55 0.27 -2.18 0.00 0.28 -0.15 -4.93 120.64 110.38 1fjr n GLU 93 Ca -0.23 0.13 -0.36 0.00 -0.16 0.00 0.00 57.16 56.54 1fjr n GLU 93 Cb 1.07 -1.72 0.01 0.00 1.43 0.00 0.00 31.44 32.22 1fjr n GLU 93 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1fjr s LEU 94 N -4.29 3.83 -0.50 -1.84 2.34 -0.29 -4.74 118.68 113.19 1fjr s LEU 94 Ca 0.08 2.31 -0.26 0.00 0.06 0.00 0.00 54.13 56.32 1fjr s LEU 94 Cb 0.13 -4.45 0.03 0.00 -0.56 0.00 0.00 46.19 41.35 1fjr s LEU 94 CO 0.67 -1.21 0.98 -0.62 -1.06 0.00 0.00 176.35 175.11 1fjr s ASP 95 N -1.54 6.47 0.00 1.48 -1.08 -0.46 -4.91 116.67 116.63 1fjr s ASP 95 Ca 0.70 0.05 0.19 0.00 -0.52 0.00 0.00 52.55 52.98 1fjr s ASP 95 Cb -0.28 -2.47 0.84 0.00 -1.46 0.00 0.00 42.92 39.55 1fjr s ASP 95 CO 0.32 -1.16 1.58 -0.81 0.52 0.00 0.00 175.17 175.63 1fjr n PRO 96 N 7.44 1.46 -3.84 4.34 -0.04 -1.26 -4.20 135.00 138.89 1fjr n PRO 96 Ca 0.06 -0.69 -0.37 0.00 -0.04 0.00 0.00 63.50 62.46 1fjr n PRO 96 Cb 0.48 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1fjr n PRO 96 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1fjr s PHE 97 N -1.86 3.61 0.00 0.54 0.40 -1.26 -0.40 117.98 119.01 1fjr s PHE 97 Ca 0.30 0.56 0.07 0.00 -0.60 0.00 0.00 56.93 57.26 1fjr s PHE 97 Cb 0.15 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1fjr s PHE 97 CO 0.24 0.72 -0.21 -0.51 0.70 0.00 0.00 175.22 176.16 1fjr s LEU 98 N -1.13 2.40 -0.44 -0.37 1.43 -0.54 -4.81 118.68 115.23 1fjr s LEU 98 Ca 0.17 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1fjr s LEU 98 Cb -0.13 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1fjr s LEU 98 CO 0.06 0.30 0.52 0.20 0.23 0.00 0.00 176.35 177.66 1fjr s ASN 99 N -1.00 6.23 -0.13 2.29 0.01 -1.26 -1.39 114.94 119.70 1fjr s ASN 99 Ca 0.12 -0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 51.61 1fjr s ASN 99 Cb -0.10 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1fjr s ASN 99 CO 0.02 -0.69 -0.05 0.68 -1.51 0.00 0.00 177.10 175.54 1fjr s VAL 100 N 2.39 3.77 -0.15 1.60 -7.23 -0.24 -4.48 120.40 116.06 1fjr s VAL 100 Ca 0.15 -0.42 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 1fjr s VAL 100 Cb -0.17 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1fjr s VAL 100 CO 0.15 0.53 0.62 -0.89 -0.31 0.00 0.00 175.10 175.20 1fjr s THR 101 N -0.01 5.05 0.72 5.32 2.01 0.38 -1.05 115.64 128.07 1fjr s THR 101 Ca 0.00 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.15 1fjr s THR 101 Cb -0.13 -3.95 0.08 0.00 0.01 0.00 0.00 72.50 68.51 1fjr s THR 101 CO 0.03 0.18 1.03 -0.76 -0.69 0.00 0.00 174.62 174.40 1fjr s LEU 102 N 1.45 2.86 0.55 4.42 1.43 0.64 -1.40 118.68 128.63 1fjr s LEU 102 Ca 0.30 0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.97 1fjr s LEU 102 Cb -0.16 -2.85 1.62 0.00 0.03 0.00 0.00 46.19 44.83 1fjr s LEU 102 CO 0.12 -1.72 2.17 0.44 0.23 0.00 0.00 176.35 177.58 1fjr h ASP 103 N -0.66 0.00 -0.10 2.29 3.32 -1.97 -0.38 116.42 118.93 1fjr h ASP 103 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1fjr h ASP 103 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1fjr h ASP 103 CO 0.55 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 1fjr n ASP 104 N -3.82 0.77 0.00 6.45 5.68 -1.26 -4.88 116.55 119.50 1fjr n ASP 104 Ca -0.03 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1fjr n ASP 104 Cb 0.15 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1fjr n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fjr n GLY 105 N 0.88 1.44 3.91 6.12 0.00 -0.15 -5.05 105.19 112.34 1fjr n GLY 105 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1fjr n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fjr s SER 106 N -3.09 4.75 -0.09 1.61 1.04 -1.26 -4.76 113.70 111.90 1fjr s SER 106 Ca 0.00 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.13 1fjr s SER 106 Cb 0.00 -1.29 -0.02 0.00 0.10 0.00 0.00 66.02 64.80 1fjr s SER 106 CO 0.00 -1.71 -0.11 -0.69 0.98 0.00 0.00 173.24 171.71 1fjr s VAL 107 N -3.41 3.34 0.00 5.02 1.01 -1.26 -0.26 120.40 124.83 1fjr s VAL 107 Ca 0.61 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1fjr s VAL 107 Cb -0.11 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1fjr s VAL 107 CO 0.48 0.56 -0.08 -0.55 0.00 0.00 0.00 175.10 175.51 1fjr s SER 108 N -0.34 0.89 -0.26 3.32 0.15 -0.21 -4.98 113.70 112.28 1fjr s SER 108 Ca 0.04 -0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.30 1fjr s SER 108 Cb -0.13 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1fjr s SER 108 CO 0.02 0.05 0.58 -0.13 1.20 0.00 0.00 173.24 174.97 1fjr s ARG 109 N -0.38 4.09 -0.10 5.44 0.52 -1.26 -1.07 118.95 126.18 1fjr s ARG 109 Ca 0.01 0.45 0.04 0.00 -0.52 0.00 0.00 55.73 55.71 1fjr s ARG 109 Cb -0.04 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.78 1fjr s ARG 109 CO -0.00 -0.39 -0.23 1.03 0.02 0.00 0.00 175.30 175.73 1fjr s ARG 110 N 2.42 2.99 -0.00 3.54 1.81 -0.48 -4.96 118.95 124.26 1fjr s ARG 110 Ca 0.24 -0.86 -0.30 0.00 -1.72 0.00 0.00 55.73 53.09 1fjr s ARG 110 Cb -0.16 -2.28 -0.06 0.00 -0.45 0.00 0.00 34.95 32.00 1fjr s ARG 110 CO 0.09 0.15 1.61 -1.58 -0.68 0.00 0.00 175.30 174.89 1fjr s HIS 111 N 0.42 2.27 0.35 -0.53 5.65 -1.26 -1.46 115.29 120.72 1fjr s HIS 111 Ca -0.17 0.34 0.13 0.00 0.25 0.00 0.00 55.06 55.60 1fjr s HIS 111 Cb -0.18 -3.89 0.97 0.00 -1.18 0.00 0.00 32.58 28.30 1fjr s HIS 111 CO 0.07 -3.63 1.74 0.27 -0.65 0.00 0.00 174.74 172.55 1fjr h PHE 112 N 8.85 0.88 0.04 3.88 -5.15 -1.08 -1.41 116.94 122.94 1fjr h PHE 112 Ca -0.40 0.03 -0.38 0.00 -0.20 0.00 0.00 57.97 57.02 1fjr h PHE 112 Cb 1.19 -0.25 -0.05 0.00 0.22 0.00 0.00 35.95 37.05 1fjr h PHE 112 CO 0.83 0.07 -2.20 1.17 -2.00 0.00 0.00 178.31 176.17 1fjr n LYS 113 N -4.78 0.66 0.05 6.09 4.81 -1.26 -4.03 118.16 119.70 1fjr n LYS 113 Ca 0.26 0.26 -0.08 0.00 -0.87 0.00 0.00 58.31 57.88 1fjr n LYS 113 Cb 0.80 -1.60 -0.13 0.00 0.02 0.00 0.00 35.03 34.12 1fjr n LYS 113 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1fjr h ASN 114 N -0.29 0.04 -0.01 3.14 2.35 -1.94 -3.36 115.58 115.51 1fjr h ASN 114 Ca -0.53 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1fjr h ASN 114 Cb 1.81 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1fjr h ASN 114 CO -0.12 1.04 -0.49 -0.62 -1.65 0.00 0.00 177.43 175.60 1fjr n GLU 115 N -3.31 1.44 -4.14 0.81 1.02 -0.54 -4.98 120.64 110.95 1fjr n GLU 115 Ca -0.04 -0.68 -0.11 0.00 -0.02 0.00 0.00 57.16 56.30 1fjr n GLU 115 Cb 0.97 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.94 1fjr n GLU 115 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1fjr s LEU 116 N -2.34 2.45 -0.30 -4.62 1.43 -1.21 -4.90 118.68 109.18 1fjr s LEU 116 Ca 0.13 -0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1fjr s LEU 116 Cb 0.15 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 1fjr s LEU 116 CO 0.53 -0.41 0.45 -0.63 0.23 0.00 0.00 176.35 176.52 1fjr s ILE 117 N -3.08 5.10 -0.15 -0.59 1.01 -0.99 -4.51 121.20 117.99 1fjr s ILE 117 Ca 0.06 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1fjr s ILE 117 Cb 0.02 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1fjr s ILE 117 CO -0.04 0.00 1.08 -0.69 0.00 0.00 0.00 174.94 175.30 1fjr s VAL 118 N 2.23 4.61 -0.32 2.92 1.01 -1.26 -1.61 120.40 127.98 1fjr s VAL 118 Ca 0.18 1.91 -0.12 0.00 0.00 0.00 0.00 61.98 63.94 1fjr s VAL 118 Cb -0.16 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1fjr s VAL 118 CO 0.11 -0.08 0.22 -1.10 0.00 0.00 0.00 175.10 174.25 1fjr s GLN 119 N 2.64 3.62 0.00 2.72 -0.21 -0.61 -4.91 119.66 122.92 1fjr s GLN 119 Ca 0.49 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1fjr s GLN 119 Cb -0.18 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.07 1fjr s GLN 119 CO 0.14 -0.36 0.15 -2.67 -2.12 0.00 0.00 175.29 170.42 1fjr n TRP 120 N 5.09 0.00 0.21 0.91 4.27 -1.26 -1.17 117.44 125.48 1fjr n TRP 120 Ca -0.13 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.58 1fjr n TRP 120 Cb 0.50 0.00 0.27 0.00 -1.36 0.00 0.00 31.31 30.72 1fjr n TRP 120 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 1fjr n ASP 121 N -0.43 3.19 -4.80 -0.67 3.85 -1.26 -4.54 116.55 111.89 1fjr n ASP 121 Ca 0.00 -1.97 -0.33 0.00 -0.71 0.00 0.00 54.79 51.78 1fjr n ASP 121 Cb 0.03 -0.35 -0.02 0.00 -1.35 0.00 0.00 41.12 39.44 1fjr n ASP 121 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1fjr s LEU 122 N -1.17 3.69 0.52 -2.12 1.43 -1.26 -4.99 118.68 114.78 1fjr s LEU 122 Ca 0.40 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.12 1fjr s LEU 122 Cb 0.21 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.83 1fjr s LEU 122 CO 0.29 -0.91 1.36 -2.16 0.23 0.00 0.00 176.35 175.16 1fjr s PRO 123 N -3.63 3.31 0.29 1.29 0.04 -1.26 -4.92 135.00 130.12 1fjr s PRO 123 Ca 0.65 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.64 1fjr s PRO 123 Cb -0.16 -2.36 -0.11 0.00 0.04 0.00 0.00 34.50 31.91 1fjr s PRO 123 CO 0.27 -1.05 1.57 1.41 0.04 0.00 0.00 177.00 179.24 1fjr s MET 124 N -2.78 4.14 0.48 4.56 1.75 -1.26 -4.89 119.30 121.30 1fjr s MET 124 Ca 0.68 2.54 0.19 0.00 -1.25 0.00 0.00 55.69 57.85 1fjr s MET 124 Cb -0.40 -3.03 1.20 0.00 2.84 0.00 0.00 34.83 35.43 1fjr s MET 124 CO 0.49 -0.60 1.99 -1.00 -0.65 0.00 0.00 175.02 175.24 1fjr h PRO 125 N 4.86 0.21 -1.34 4.11 0.13 -1.90 -3.44 132.00 134.63 1fjr h PRO 125 Ca -0.47 -0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.01 1fjr h PRO 125 Cb 1.22 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1fjr h PRO 125 CO 0.79 0.14 0.92 0.00 -0.23 0.00 0.00 178.00 179.62 1fjr s ASP 127 N -3.13 6.36 -1.18 0.00 1.01 -1.26 -4.39 116.67 114.09 1fjr s ASP 127 Ca 0.17 1.25 -0.17 0.00 0.71 0.00 0.00 52.55 54.51 1fjr s ASP 127 Cb 0.05 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1fjr s ASP 127 CO -0.05 -0.64 0.74 0.61 0.21 0.00 0.00 175.17 176.03 1fjr n GLY 128 N -2.12 -0.85 3.85 0.21 0.00 -1.26 -4.97 105.19 100.05 1fjr n GLY 128 Ca 0.04 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1fjr n GLY 128 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fjr s MET 129 N -6.07 3.52 0.22 1.61 -1.94 -1.26 -4.78 119.30 110.60 1fjr s MET 129 Ca 0.39 0.85 0.09 0.00 -1.71 0.00 0.00 55.69 55.30 1fjr s MET 129 Cb -0.14 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 1fjr s MET 129 CO 0.86 -0.63 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.64 1fjr s PHE 130 N -3.02 2.76 0.21 -0.03 -0.12 -0.37 -4.92 117.98 112.48 1fjr s PHE 130 Ca 0.57 -0.19 0.09 0.00 -0.05 0.00 0.00 56.93 57.35 1fjr s PHE 130 Cb -0.12 -1.28 -0.04 0.00 -0.63 0.00 0.00 43.02 40.95 1fjr s PHE 130 CO 0.49 0.56 -0.04 1.52 -0.05 0.00 0.00 175.22 177.70 1fjr s TYR 131 N -2.01 2.70 -0.14 3.49 -0.85 -1.26 -0.90 117.35 118.38 1fjr s TYR 131 Ca 0.29 -0.20 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 1fjr s TYR 131 Cb -0.08 -1.28 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 1fjr s TYR 131 CO 0.19 0.55 0.08 -0.51 -1.52 0.00 0.00 175.55 174.34 1fjr s LEU 132 N -3.14 3.96 -0.46 -3.49 1.43 -0.53 -4.98 118.68 111.47 1fjr s LEU 132 Ca 0.28 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1fjr s LEU 132 Cb -0.08 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.29 1fjr s LEU 132 CO 0.18 0.29 0.25 -0.62 0.23 0.00 0.00 176.35 176.67 1fjr s ASP 133 N -0.30 5.16 0.00 2.29 -1.08 -1.26 -4.31 116.67 117.17 1fjr s ASP 133 Ca 0.09 -2.29 0.04 0.00 -0.52 0.00 0.00 52.55 49.87 1fjr s ASP 133 Cb -0.12 -1.81 0.25 0.00 -1.46 0.00 0.00 42.92 39.78 1fjr s ASP 133 CO 0.01 -0.47 0.61 -0.46 0.52 0.00 0.00 175.17 175.38 1fjr n ASN 134 N 4.22 0.00 0.19 -0.34 6.94 -1.26 -1.31 115.26 123.70 1fjr n ASN 134 Ca 0.01 -0.45 0.08 0.00 -0.02 0.00 0.00 54.58 54.20 1fjr n ASN 134 Cb 0.40 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 37.95 1fjr n ASN 134 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1fjr h ARG 135 N 0.00 0.00 -6.08 -3.83 3.08 -1.93 -3.43 114.38 102.20 1fjr h ARG 135 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1fjr h ARG 135 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1fjr h ARG 135 CO 0.00 0.23 -0.09 -1.21 -1.07 0.00 0.00 179.97 177.83 1fjr s GLU 136 N -3.13 4.16 0.57 0.04 0.41 -0.43 -4.99 118.70 115.34 1fjr s GLU 136 Ca 0.05 0.61 0.26 0.00 -0.41 0.00 0.00 54.97 55.48 1fjr s GLU 136 Cb 0.06 -3.28 1.55 0.00 -1.78 0.00 0.00 34.13 30.68 1fjr s GLU 136 CO 0.70 0.54 2.09 1.05 -0.49 0.00 0.00 175.26 179.15 1fjr h GLU 137 N 5.09 0.00 0.00 1.61 4.11 -1.87 -1.66 114.58 121.86 1fjr h GLU 137 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1fjr h GLU 137 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1fjr h GLU 137 CO 0.66 0.00 -0.47 1.04 0.07 0.00 0.00 179.01 180.30 1fjr n GLN 138 N -4.04 0.22 -0.21 1.06 3.00 -1.26 -3.99 117.38 112.16 1fjr n GLN 138 Ca 0.02 0.09 0.10 0.00 -0.01 0.00 0.00 57.00 57.20 1fjr n GLN 138 Cb 0.34 -1.66 0.26 0.00 0.00 0.00 0.00 30.24 29.18 1fjr n GLN 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1fjr n ASP 139 N -2.00 2.79 -4.76 1.08 9.92 -0.62 -4.21 116.55 118.75 1fjr n ASP 139 Ca 0.04 -1.94 -0.38 0.00 -0.53 0.00 0.00 54.79 51.98 1fjr n ASP 139 Cb 0.42 -0.28 0.02 0.00 -0.64 0.00 0.00 41.12 40.64 1fjr n ASP 139 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1fjr s LYS 140 N -1.44 3.41 0.18 -1.24 -0.14 -1.24 -4.15 119.74 115.12 1fjr s LYS 140 Ca 0.36 2.18 -0.13 0.00 -1.36 0.00 0.00 55.97 57.02 1fjr s LYS 140 Cb 0.20 -2.40 0.01 0.00 -1.68 0.00 0.00 37.83 33.96 1fjr s LYS 140 CO 0.27 -0.95 0.41 1.52 -0.76 0.00 0.00 175.35 175.83 1fjr s TYR 141 N -1.32 0.12 -0.06 3.18 -0.85 -1.26 -1.94 117.35 115.22 1fjr s TYR 141 Ca 0.67 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.78 1fjr s TYR 141 Cb -0.39 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.14 1fjr s TYR 141 CO 0.47 -0.82 -0.16 0.99 -1.52 0.00 0.00 175.55 174.51 1fjr s THR 142 N -3.91 1.38 -0.28 -3.49 2.01 -0.34 -4.96 115.64 106.05 1fjr s THR 142 Ca 0.13 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 1fjr s THR 142 Cb 0.01 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.35 1fjr s THR 142 CO -0.02 0.41 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.06 1fjr s LEU 143 N 0.33 3.68 0.34 4.42 2.96 -1.26 -0.81 118.68 128.34 1fjr s LEU 143 Ca -0.10 -1.25 -0.19 0.00 -0.22 0.00 0.00 54.13 52.37 1fjr s LEU 143 Cb -0.14 -1.66 -0.10 0.00 0.50 0.00 0.00 46.19 44.79 1fjr s LEU 143 CO 0.04 -0.22 0.83 -0.36 -1.32 0.00 0.00 176.35 175.31 1fjr s PHE 144 N 1.22 3.44 0.46 5.38 0.40 -0.19 -0.47 117.98 128.22 1fjr s PHE 144 Ca -0.06 1.44 0.16 0.00 -0.60 0.00 0.00 56.93 57.88 1fjr s PHE 144 Cb -0.19 -2.70 1.14 0.00 0.51 0.00 0.00 43.02 41.77 1fjr s PHE 144 CO -0.03 0.08 2.00 1.49 0.70 0.00 0.00 175.22 179.47 1fjr h GLU 145 N 2.44 0.27 0.00 0.44 4.81 -1.54 -1.42 114.58 119.58 1fjr h GLU 145 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1fjr h GLU 145 Cb 1.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1fjr h GLU 145 CO 0.64 0.18 0.00 0.27 -0.73 0.00 0.00 179.01 179.36 1fjr n ASN 146 N -4.46 0.00 0.00 1.04 0.23 -1.26 -4.43 115.26 106.38 1fjr n ASN 146 Ca 0.08 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 1fjr n ASN 146 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 1fjr n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fjr n GLY 147 N 0.48 3.42 3.75 4.83 0.00 -0.53 -5.00 105.19 112.13 1fjr n GLY 147 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1fjr n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjr s THR 148 N -2.94 3.06 -0.10 2.61 2.01 -1.26 -4.50 115.64 114.52 1fjr s THR 148 Ca 0.00 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1fjr s THR 148 Cb 0.00 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1fjr s THR 148 CO 0.00 0.16 -0.15 0.12 -0.69 0.00 0.00 174.62 174.06 1fjr s PHE 149 N -0.21 2.75 -0.16 4.92 5.36 -0.79 -1.03 117.98 128.82 1fjr s PHE 149 Ca 0.55 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1fjr s PHE 149 Cb -0.37 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1fjr s PHE 149 CO 0.42 -0.12 -0.15 0.12 -1.46 0.00 0.00 175.22 174.02 1fjr s PHE 150 N 0.05 2.37 -0.32 10.12 5.36 0.01 0.07 117.98 135.63 1fjr s PHE 150 Ca -0.05 -1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 54.37 1fjr s PHE 150 Cb -0.15 -1.69 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 1fjr s PHE 150 CO 0.04 -0.72 0.45 0.50 -1.46 0.00 0.00 175.22 174.04 1fjr s ARG 151 N 1.42 3.72 0.11 10.12 3.52 0.15 -1.19 118.95 136.80 1fjr s ARG 151 Ca 0.04 -0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 55.33 1fjr s ARG 151 Cb -0.13 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 1fjr s ARG 151 CO -0.11 -0.51 1.59 0.45 -0.81 0.00 0.00 175.30 175.90 1fjr h HIS 152 N 8.36 0.55 -0.99 5.12 3.86 -1.69 0.40 115.15 130.77 1fjr h HIS 152 Ca -0.29 -0.07 0.13 0.00 -1.16 0.00 0.00 60.37 58.97 1fjr h HIS 152 Cb 1.14 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 29.31 1fjr h HIS 152 CO 0.72 0.59 -0.48 0.35 0.86 0.00 0.00 177.93 179.98 1fjr h PHE 153 N 0.35 -1.44 -0.29 2.45 3.57 -1.75 -1.01 116.94 118.82 1fjr h PHE 153 Ca 0.10 0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1fjr h PHE 153 Cb 0.33 0.77 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1fjr h PHE 153 CO 0.02 -0.39 0.00 -0.40 -2.23 0.00 0.00 178.31 175.31 1fjr n ASP 154 N -5.38 3.29 -4.15 0.41 5.75 -1.25 -4.99 116.55 110.24 1fjr n ASP 154 Ca 0.07 -2.46 -0.30 0.00 -0.01 0.00 0.00 54.79 52.09 1fjr n ASP 154 Cb 0.34 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1fjr n ASP 154 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1fjr n ARG 155 N -0.01 -2.32 -4.15 0.11 1.74 0.08 -4.95 116.66 107.16 1fjr n ARG 155 Ca 0.15 0.28 -0.32 0.00 -0.77 0.00 0.00 57.85 57.19 1fjr n ARG 155 Cb 0.62 -4.28 -0.08 0.00 -1.02 0.00 0.00 32.46 27.71 1fjr n ARG 155 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1fjr s VAL 156 N -3.99 4.42 -0.20 1.55 -7.23 -0.88 -4.90 120.40 109.17 1fjr s VAL 156 Ca 0.14 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 1fjr s VAL 156 Cb -0.08 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 1fjr s VAL 156 CO 0.94 0.27 0.11 -0.89 -0.31 0.00 0.00 175.10 175.22 1fjr s THR 157 N -1.23 5.20 -0.05 5.32 2.01 -1.26 -0.68 115.64 124.96 1fjr s THR 157 Ca 0.24 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.40 1fjr s THR 157 Cb -0.12 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1fjr s THR 157 CO 0.15 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.58 1fjr s LEU 158 N 0.42 2.47 0.56 4.42 1.43 0.11 -4.99 118.68 123.11 1fjr s LEU 158 Ca 0.06 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1fjr s LEU 158 Cb -0.12 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1fjr s LEU 158 CO -0.01 0.31 0.79 -0.13 0.23 0.00 0.00 176.35 177.54 1fjr s ARG 159 N -0.54 2.40 0.38 1.70 0.52 -1.26 -1.88 118.95 120.27 1fjr s ARG 159 Ca 0.07 -1.01 0.19 0.00 -0.52 0.00 0.00 55.73 54.47 1fjr s ARG 159 Cb -0.11 -2.52 1.04 0.00 0.52 0.00 0.00 34.95 33.88 1fjr s ARG 159 CO 0.01 -0.80 1.53 0.87 0.02 0.00 0.00 175.30 176.93 1fjr h LYS 160 N 0.06 0.00 -0.02 3.54 1.57 -1.88 0.11 116.57 119.96 1fjr h LYS 160 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1fjr h LYS 160 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1fjr h LYS 160 CO 0.47 0.00 -0.13 2.89 -0.57 0.00 0.00 179.45 182.11 1fjr n ARG 161 N -2.25 1.49 -0.02 3.15 1.85 -1.26 -3.99 116.66 115.61 1fjr n ARG 161 Ca -0.01 -1.00 0.05 0.00 -1.00 0.00 0.00 57.85 55.89 1fjr n ARG 161 Cb 0.22 -1.48 0.06 0.00 -1.05 0.00 0.00 32.46 30.21 1fjr n ARG 161 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1fjr n GLU 162 N 0.11 0.77 -3.77 2.89 1.02 0.39 -4.48 120.64 117.57 1fjr n GLU 162 Ca 0.15 -1.23 -0.10 0.00 -0.02 0.00 0.00 57.16 55.96 1fjr n GLU 162 Cb 0.41 -1.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.59 1fjr n GLU 162 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1fjr s TYR 163 N -0.86 -0.03 -0.16 -0.32 -0.85 -1.21 -4.18 117.35 109.74 1fjr s TYR 163 Ca 0.13 -0.31 -0.28 0.00 -0.52 0.00 0.00 57.07 56.08 1fjr s TYR 163 Cb 0.09 0.32 0.09 0.00 0.38 0.00 0.00 41.96 42.83 1fjr s TYR 163 CO 0.13 -0.88 0.79 0.00 -1.52 0.00 0.00 175.55 174.06 1fjr s LEU 165 N -0.53 4.09 -0.14 0.00 1.43 0.24 -0.46 118.68 123.31 1fjr s LEU 165 Ca -0.04 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1fjr s LEU 165 Cb -0.02 -2.70 0.09 0.00 0.03 0.00 0.00 46.19 43.58 1fjr s LEU 165 CO 0.04 0.18 0.78 -1.58 0.23 0.00 0.00 176.35 176.00 1fjr s GLN 166 N -2.39 0.87 0.49 1.70 2.00 -0.88 -0.81 119.66 120.65 1fjr s GLN 166 Ca 0.31 0.44 -0.23 0.00 -2.00 0.00 0.00 55.36 53.89 1fjr s GLN 166 Cb -0.13 0.42 -0.08 0.00 0.80 0.00 0.00 33.01 34.02 1fjr s GLN 166 CO 0.24 -0.23 1.14 0.72 -0.50 0.00 0.00 175.29 176.66 1fjr n HIS 167 N 1.41 1.56 -3.69 1.67 8.25 -1.26 -1.87 115.22 121.29 1fjr n HIS 167 Ca -0.16 0.48 -0.14 0.00 -0.26 0.00 0.00 57.72 57.64 1fjr n HIS 167 Cb 0.57 -2.27 -0.08 0.00 1.12 0.00 0.00 29.99 29.32 1fjr n HIS 167 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fjr s LEU 168 N -1.80 0.24 -0.26 2.41 0.20 -0.31 -4.29 118.68 114.86 1fjr s LEU 168 Ca 0.67 0.58 -0.22 0.00 0.69 0.00 0.00 54.13 55.86 1fjr s LEU 168 Cb -0.48 1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 46.98 1fjr s LEU 168 CO 0.53 -0.37 0.69 -0.89 -0.29 0.00 0.00 176.35 176.02 1fjr s THR 169 N -0.67 4.92 0.05 3.68 2.01 -1.26 -2.10 115.64 122.28 1fjr s THR 169 Ca -0.08 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.14 1fjr s THR 169 Cb -0.03 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1fjr s THR 169 CO 0.04 -0.05 0.10 -0.36 -0.69 0.00 0.00 174.62 173.66 1fjr s PHE 170 N 2.65 3.27 -0.25 4.92 0.40 0.67 -4.96 117.98 124.69 1fjr s PHE 170 Ca 0.29 0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.63 1fjr s PHE 170 Cb -0.15 -1.68 0.08 0.00 0.51 0.00 0.00 43.02 41.78 1fjr s PHE 170 CO 0.09 0.54 0.59 0.00 0.70 0.00 0.00 175.22 177.14 1fjr s ALA 171 N -1.36 -1.61 -0.00 5.36 0.00 -1.26 -1.46 121.76 121.43 1fjr s ALA 171 Ca 0.29 2.10 -0.01 0.00 0.00 0.00 0.00 51.96 54.34 1fjr s ALA 171 Cb -0.12 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 1fjr s ALA 171 CO 0.21 -0.43 -0.01 -0.25 0.00 0.00 0.00 175.76 175.27 1fjr n ASP 172 N 4.50 0.14 -3.82 0.00 8.00 -1.21 -4.99 116.55 119.17 1fjr n ASP 172 Ca -0.19 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.03 1fjr n ASP 172 Cb 0.56 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 1fjr n ASP 172 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1fjr s GLY 173 N -3.13 2.06 0.00 0.44 0.00 -1.26 -4.84 107.32 100.58 1fjr s GLY 173 Ca -0.01 -2.94 0.00 0.00 0.00 0.00 0.00 44.72 41.77 1fjr s GLY 173 CO 0.02 1.30 0.00 0.70 0.00 0.00 0.00 173.10 175.12 1fjr n ASN 174 N 3.27 -3.97 -4.18 1.64 3.02 -1.26 -4.91 115.26 108.87 1fjr n ASN 174 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 1fjr n ASN 174 Cb 0.34 -2.62 -0.17 0.00 -0.61 0.00 0.00 39.78 36.72 1fjr n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fjr s ALA 175 N -0.74 2.04 0.01 5.41 0.00 -1.26 -5.13 121.76 122.09 1fjr s ALA 175 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1fjr s ALA 175 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1fjr s ALA 175 CO 0.00 0.21 -0.26 -0.08 0.00 0.00 0.00 175.76 175.63 1fjr s THR 176 N 0.48 2.06 0.04 0.00 -1.32 -1.26 -3.36 115.64 112.27 1fjr s THR 176 Ca -0.16 -1.24 -0.08 0.00 -1.21 0.00 0.00 61.69 58.99 1fjr s THR 176 Cb -0.17 -1.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1fjr s THR 176 CO 0.06 0.45 0.17 -0.94 -2.21 0.00 0.00 174.62 172.16 1fjr s SER 177 N -0.93 0.07 -0.14 8.08 1.04 -0.53 -4.99 113.70 116.29 1fjr s SER 177 Ca 0.11 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 1fjr s SER 177 Cb -0.10 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1fjr s SER 177 CO 0.01 -0.55 -0.10 -0.63 0.98 0.00 0.00 173.24 172.95 1fjr s ILE 178 N -2.58 3.35 0.06 -1.02 1.01 -1.26 -0.24 121.20 120.53 1fjr s ILE 178 Ca -0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1fjr s ILE 178 Cb -0.01 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 1fjr s ILE 178 CO -0.04 0.52 0.08 -0.60 0.00 0.00 0.00 174.94 174.89 1fjr s ARG 179 N 0.31 0.67 -0.11 2.79 3.52 -0.89 -1.35 118.95 123.89 1fjr s ARG 179 Ca -0.08 -0.98 -0.27 0.00 -0.13 0.00 0.00 55.73 54.27 1fjr s ARG 179 Cb -0.15 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1fjr s ARG 179 CO 0.05 -0.17 0.90 0.42 -0.81 0.00 0.00 175.30 175.68 1fjr s ILE 180 N -3.44 4.87 0.04 4.11 1.01 -1.26 -1.16 121.20 125.37 1fjr s ILE 180 Ca 0.02 1.81 0.06 0.00 0.00 0.00 0.00 60.65 62.55 1fjr s ILE 180 Cb 0.04 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1fjr s ILE 180 CO -0.08 0.07 -0.18 0.00 0.00 0.00 0.00 174.94 174.75 1fjr s ALA 181 N 1.73 1.52 0.41 9.38 0.00 -0.78 -4.91 121.76 129.11 1fjr s ALA 181 Ca 0.44 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 1fjr s ALA 181 Cb -0.18 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 1fjr s ALA 181 CO 0.18 0.32 0.91 -1.25 0.00 0.00 0.00 175.76 175.92 1fjr s PRO 182 N -1.20 4.18 -0.07 0.00 0.04 -1.26 -2.07 135.00 134.63 1fjr s PRO 182 Ca 0.05 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.18 1fjr s PRO 182 Cb -0.08 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1fjr s PRO 182 CO 0.02 -0.00 -0.24 -1.01 0.04 0.00 0.00 177.00 175.81 1fjr s HIS 183 N -2.15 2.41 0.30 0.56 3.76 0.39 -1.45 115.29 119.12 1fjr s HIS 183 Ca 0.60 -0.81 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 1fjr s HIS 183 Cb -0.09 -1.60 -0.06 0.00 1.11 0.00 0.00 32.58 31.94 1fjr s HIS 183 CO 0.14 -0.28 -0.02 -0.80 -0.85 0.00 0.00 174.74 172.94 1fjr s ASN 184 N 0.02 2.74 -0.11 1.40 0.01 -0.08 -2.50 114.94 116.42 1fjr s ASN 184 Ca -0.09 -1.26 -0.03 0.00 -0.71 0.00 0.00 52.86 50.77 1fjr s ASN 184 Cb -0.15 -0.16 -0.03 0.00 0.41 0.00 0.00 41.25 41.31 1fjr s ASN 184 CO 0.05 -0.44 0.02 0.00 -1.51 0.00 0.00 177.10 175.23 1fjr h LEU 186 N 5.41 0.53 -8.29 0.00 5.85 -1.94 -3.37 115.31 113.50 1fjr h LEU 186 Ca -0.48 0.01 -0.68 0.00 0.84 0.00 0.00 57.88 57.57 1fjr h LEU 186 Cb 1.19 -0.10 -0.28 0.00 0.37 0.00 0.00 40.66 41.85 1fjr h LEU 186 CO 0.57 0.36 -0.63 -0.51 -0.34 0.00 0.00 178.44 177.89 1fjr s ILE 187 N -6.13 3.76 -2.00 4.05 1.10 -1.26 -5.20 121.20 115.53 1fjr s ILE 187 Ca -0.13 -0.90 0.13 0.00 -0.51 0.00 0.00 60.65 59.25 1fjr s ILE 187 Cb 0.14 -3.01 0.38 0.00 0.15 0.00 0.00 42.46 40.12 1fjr s ILE 187 CO 0.75 -0.00 1.23 0.52 -2.11 0.00 0.00 174.94 175.32