#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjx s LEU 4 N 0.00 4.11 0.06 7.52 1.43 -0.28 -4.96 118.68 126.56 1wjx s LEU 4 Ca 0.00 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1wjx s LEU 4 Cb 0.00 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1wjx s LEU 4 CO 0.00 -0.10 -0.19 -1.61 0.23 0.00 0.00 176.35 174.68 1wjx s GLU 5 N 1.56 1.98 -1.01 1.70 2.02 -1.26 -0.80 118.70 122.89 1wjx s GLU 5 Ca 0.16 -1.04 -0.17 0.00 0.02 0.00 0.00 54.97 53.94 1wjx s GLU 5 Cb -0.15 -2.15 0.15 0.00 0.10 0.00 0.00 34.13 32.08 1wjx s GLU 5 CO 0.08 0.52 1.21 1.21 0.02 0.00 0.00 175.26 178.30 1wjx s ASN 6 N -1.59 6.78 0.32 -0.19 3.84 -0.14 -4.86 114.94 119.09 1wjx s ASN 6 Ca 0.15 -2.38 0.01 0.00 0.21 0.00 0.00 52.86 50.85 1wjx s ASN 6 Cb -0.10 -2.39 0.52 0.00 -0.55 0.00 0.00 41.25 38.72 1wjx s ASN 6 CO 0.06 -0.94 1.91 0.03 -2.79 0.00 0.00 177.10 175.37 1wjx h ARG 7 N 8.25 0.79 -0.42 0.43 2.47 -1.96 -2.95 114.38 120.99 1wjx h ARG 7 Ca 0.20 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1wjx h ARG 7 Cb 0.98 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 1wjx h ARG 7 CO 1.13 0.64 0.21 -0.09 0.56 0.00 0.00 179.97 182.42 1wjx h ARG 8 N 0.79 0.59 -0.72 0.04 2.43 -1.99 -2.03 114.38 113.49 1wjx h ARG 8 Ca 0.19 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1wjx h ARG 8 Cb 0.14 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1wjx h ARG 8 CO -0.02 0.51 0.45 0.00 -1.51 0.00 0.00 179.97 179.40 1wjx h ALA 9 N 1.05 0.95 -0.41 2.80 0.00 -1.90 0.24 119.26 122.01 1wjx h ALA 9 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1wjx h ALA 9 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1wjx h ALA 9 CO -0.02 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.25 1wjx h ARG 10 N 0.88 0.80 0.09 0.00 2.47 -1.44 -1.98 114.38 115.20 1wjx h ARG 10 Ca 0.29 -0.32 -0.26 0.00 -1.26 0.00 0.00 59.98 58.43 1wjx h ARG 10 Cb 0.03 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1wjx h ARG 10 CO -0.12 0.94 -1.21 1.25 0.56 0.00 0.00 179.97 181.39 1wjx h HIS 11 N 0.70 0.35 -0.00 3.04 2.76 -1.00 -3.38 115.15 117.61 1wjx h HIS 11 Ca 0.10 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1wjx h HIS 11 Cb 0.73 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1wjx h HIS 11 CO 0.04 1.21 -0.76 -0.25 -1.30 0.00 0.00 177.93 176.87 1wjx n ASP 12 N -3.47 1.08 -4.22 3.26 8.00 0.04 -5.00 116.55 116.23 1wjx n ASP 12 Ca -0.07 -1.04 -0.14 0.00 0.71 0.00 0.00 54.79 54.25 1wjx n ASP 12 Cb 1.00 0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 1wjx n ASP 12 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wjx s TYR 13 N -2.59 1.20 -0.20 1.24 1.51 -0.75 -2.91 117.35 114.85 1wjx s TYR 13 Ca 0.09 -0.71 -0.16 0.00 -1.01 0.00 0.00 57.07 55.28 1wjx s TYR 13 Cb 0.14 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1wjx s TYR 13 CO 0.69 0.05 0.40 -1.21 -1.11 0.00 0.00 175.55 174.37 1wjx s GLU 14 N -3.35 4.17 -0.23 -0.62 2.02 -0.27 -4.69 118.70 115.72 1wjx s GLU 14 Ca 0.12 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.15 1wjx s GLU 14 Cb 0.00 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1wjx s GLU 14 CO 0.00 -0.05 0.38 0.42 0.02 0.00 0.00 175.26 176.04 1wjx s ILE 15 N 1.33 5.19 0.00 -1.63 -1.09 -1.26 -1.36 121.20 122.38 1wjx s ILE 15 Ca 0.19 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1wjx s ILE 15 Cb -0.15 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1wjx s ILE 15 CO 0.08 0.21 0.00 0.18 -1.23 0.00 0.00 174.94 174.18 1wjx n LEU 16 N 4.83 0.00 -4.75 2.97 4.77 0.21 -4.98 117.00 120.05 1wjx n LEU 16 Ca -0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.53 1wjx n LEU 16 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.64 1wjx n LEU 16 CO 0.39 0.00 0.86 -1.61 -1.33 0.00 0.00 177.39 175.70 1wjx s GLU 17 N 2.53 2.83 0.26 3.23 8.01 -1.26 -4.67 118.70 129.63 1wjx s GLU 17 Ca 0.00 1.89 0.10 0.00 0.01 0.00 0.00 54.97 56.97 1wjx s GLU 17 Cb 0.00 -1.90 -0.05 0.00 -4.31 0.00 0.00 34.13 27.87 1wjx s GLU 17 CO 0.00 -1.34 -0.16 0.95 0.01 0.00 0.00 175.26 174.72 1wjx s THR 18 N -1.55 2.12 0.02 3.63 -4.23 -1.26 -1.48 115.64 112.89 1wjx s THR 18 Ca 0.79 -2.30 -0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1wjx s THR 18 Cb -0.32 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 1wjx s THR 18 CO 0.35 -0.46 0.14 -0.31 -0.54 0.00 0.00 174.62 173.81 1wjx s TYR 19 N -2.73 0.07 0.02 3.99 2.02 0.11 -4.98 117.35 115.86 1wjx s TYR 19 Ca 0.27 -0.23 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 1wjx s TYR 19 Cb -0.02 -0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.45 1wjx s TYR 19 CO 0.12 -0.33 -0.19 -2.00 -1.57 0.00 0.00 175.55 171.58 1wjx s GLU 20 N -1.83 2.11 0.10 -0.62 2.12 -1.26 0.22 118.70 119.55 1wjx s GLU 20 Ca -0.11 -0.95 -0.10 0.00 0.36 0.00 0.00 54.97 54.17 1wjx s GLU 20 Cb -0.05 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1wjx s GLU 20 CO -0.00 0.55 0.23 0.00 -0.54 0.00 0.00 175.26 175.50 1wjx s ALA 21 N -0.86 -0.32 0.50 6.30 0.00 -0.69 -4.83 121.76 121.87 1wjx s ALA 21 Ca 0.13 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1wjx s ALA 21 Cb -0.10 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 1wjx s ALA 21 CO 0.04 -0.55 0.76 0.20 0.00 0.00 0.00 175.76 176.21 1wjx s GLY 22 N -2.86 1.57 -0.07 0.00 0.00 0.09 -0.64 107.32 105.42 1wjx s GLY 22 Ca 0.06 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.93 1wjx s GLY 22 CO -0.10 -0.68 -0.20 -0.42 0.00 0.00 0.00 173.10 171.69 1wjx s ILE 23 N -2.71 1.70 -0.61 0.90 1.01 -0.85 -0.16 121.20 120.47 1wjx s ILE 23 Ca 0.50 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1wjx s ILE 23 Cb -0.10 -1.47 0.07 0.00 0.01 0.00 0.00 42.46 40.97 1wjx s ILE 23 CO 0.41 0.48 0.88 0.00 0.00 0.00 0.00 174.94 176.71 1wjx s ALA 24 N 0.18 3.21 0.25 9.38 0.00 -0.27 -4.68 121.76 129.82 1wjx s ALA 24 Ca -0.10 -1.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.02 1wjx s ALA 24 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 1wjx s ALA 24 CO 0.05 -2.56 0.48 -0.51 0.00 0.00 0.00 175.76 173.22 1wjx s LEU 25 N 3.63 4.13 0.13 0.00 1.43 -1.26 -4.47 118.68 122.28 1wjx s LEU 25 Ca 0.21 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1wjx s LEU 25 Cb -0.18 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1wjx s LEU 25 CO 0.11 -0.13 -0.10 -0.54 0.23 0.00 0.00 176.35 175.92 1wjx s LYS 26 N -3.48 0.98 4.16 1.70 1.02 -1.26 -5.00 119.74 117.86 1wjx s LYS 26 Ca 0.41 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1wjx s LYS 26 Cb -0.11 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.63 1wjx s LYS 26 CO 0.30 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 1wjx n GLY 27 N 0.04 2.88 0.15 -3.33 0.00 -1.26 -2.00 105.19 101.67 1wjx n GLY 27 Ca -0.12 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1wjx n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wjx n THR 28 N 0.00 0.02 -0.28 2.61 -2.24 -1.26 -4.31 114.28 108.82 1wjx n THR 28 Ca 0.00 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1wjx n THR 28 Cb 0.00 -0.17 0.23 0.00 -2.10 0.00 0.00 70.33 68.30 1wjx n THR 28 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wjx h GLU 29 N 0.67 0.42 -0.62 -0.78 5.08 -1.77 -1.18 114.58 116.40 1wjx h GLU 29 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1wjx h GLU 29 Cb 0.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1wjx h GLU 29 CO 0.00 0.28 0.38 0.28 -1.00 0.00 0.00 179.01 178.94 1wjx h VAL 30 N 0.43 1.07 -0.78 3.13 2.07 -1.80 -1.50 116.25 118.87 1wjx h VAL 30 Ca 0.47 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1wjx h VAL 30 Cb 0.79 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1wjx h VAL 30 CO -0.46 0.14 0.35 0.11 0.02 0.00 0.00 177.57 177.73 1wjx h LYS 31 N 0.74 1.14 -0.72 1.57 1.57 -1.55 -2.46 116.57 116.86 1wjx h LYS 31 Ca 0.25 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1wjx h LYS 31 Cb 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1wjx h LYS 31 CO -0.11 0.90 0.22 0.77 -0.57 0.00 0.00 179.45 180.66 1wjx h SER 32 N 1.11 1.05 -0.39 0.86 0.02 -0.88 -2.71 113.55 112.62 1wjx h SER 32 Ca 0.27 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1wjx h SER 32 Cb 0.15 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1wjx h SER 32 CO -0.03 0.98 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.54 1wjx h LEU 33 N 1.08 0.78 -1.68 5.07 3.38 -1.02 -1.65 115.31 121.27 1wjx h LEU 33 Ca 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1wjx h LEU 33 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wjx h LEU 33 CO -0.01 0.86 -0.19 0.03 0.09 0.00 0.00 178.44 179.23 1wjx h ARG 34 N 0.74 0.00 -0.00 1.13 3.08 -1.19 -0.03 114.38 118.11 1wjx h ARG 34 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1wjx h ARG 34 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1wjx h ARG 34 CO 0.03 0.19 -0.21 0.00 -1.07 0.00 0.00 179.97 178.90 1wjx n ALA 35 N -2.41 2.86 -1.42 0.04 0.00 -0.83 -4.93 120.51 113.82 1wjx n ALA 35 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.17 1wjx n ALA 35 Cb 0.27 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1wjx n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wjx n GLY 36 N 1.49 0.50 2.99 0.00 0.00 -0.03 -4.96 105.19 105.18 1wjx n GLY 36 Ca 0.07 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1wjx n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wjx n LYS 37 N -2.38 3.60 -4.13 1.61 5.02 -0.68 -4.93 118.16 116.26 1wjx n LYS 37 Ca -0.04 -3.62 -0.14 0.00 -2.02 0.00 0.00 58.31 52.49 1wjx n LYS 37 Cb 0.25 -2.93 -0.11 0.00 -0.02 0.00 0.00 35.03 32.21 1wjx n LYS 37 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wjx s VAL 38 N 0.52 0.82 -0.07 -0.18 0.11 -1.26 -1.37 120.40 118.97 1wjx s VAL 38 Ca 0.40 -1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1wjx s VAL 38 Cb 0.07 -1.06 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1wjx s VAL 38 CO 0.01 -0.45 -0.02 -0.62 -3.33 0.00 0.00 175.10 170.69 1wjx s ASP 39 N -2.04 1.42 0.01 3.54 2.15 -0.10 -5.01 116.67 116.66 1wjx s ASP 39 Ca -0.01 -0.11 0.26 0.00 0.43 0.00 0.00 52.55 53.11 1wjx s ASP 39 Cb -0.06 -0.47 0.63 0.00 -0.30 0.00 0.00 42.92 42.72 1wjx s ASP 39 CO 0.00 -0.15 1.51 0.49 -0.17 0.00 0.00 175.17 176.85 1wjx n PHE 40 N 4.80 0.06 -1.70 -5.34 3.72 -1.26 -1.89 117.46 115.86 1wjx n PHE 40 Ca -0.13 0.02 -0.57 0.00 -0.05 0.00 0.00 57.45 56.72 1wjx n PHE 40 Cb 0.50 -0.35 -0.07 0.00 -0.94 0.00 0.00 39.48 38.63 1wjx n PHE 40 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1wjx n THR 41 N -1.57 0.25 -1.02 4.37 -1.04 -1.26 -1.23 114.28 112.77 1wjx n THR 41 Ca 0.06 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1wjx n THR 41 Cb 0.35 -1.12 -0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1wjx n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wjx n GLY 42 N 3.93 0.31 3.80 3.41 0.00 -1.26 -4.86 105.19 110.52 1wjx n GLY 42 Ca 0.26 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1wjx n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wjx s SER 43 N -2.05 7.15 0.19 1.61 0.15 -0.37 -4.76 113.70 115.61 1wjx s SER 43 Ca 0.00 1.60 -0.18 0.00 0.70 0.00 0.00 55.95 58.07 1wjx s SER 43 Cb 0.00 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1wjx s SER 43 CO 0.00 -0.05 0.53 0.72 1.20 0.00 0.00 173.24 175.64 1wjx s PHE 44 N -1.63 -0.20 0.03 3.44 -0.12 -0.89 -4.51 117.98 114.10 1wjx s PHE 44 Ca 0.48 -0.13 0.06 0.00 -0.05 0.00 0.00 56.93 57.29 1wjx s PHE 44 Cb -0.17 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1wjx s PHE 44 CO 0.21 -0.90 -0.17 0.00 -0.05 0.00 0.00 175.22 174.32 1wjx s ALA 45 N -3.85 2.64 -0.12 1.99 0.00 0.25 0.15 121.76 122.81 1wjx s ALA 45 Ca 0.07 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1wjx s ALA 45 Cb -0.01 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.37 1wjx s ALA 45 CO -0.05 0.57 0.57 0.50 0.00 0.00 0.00 175.76 177.36 1wjx s ARG 46 N -1.36 0.82 0.35 0.00 3.52 -0.37 -4.54 118.95 117.38 1wjx s ARG 46 Ca 0.15 0.43 -0.25 0.00 -0.13 0.00 0.00 55.73 55.92 1wjx s ARG 46 Cb -0.11 0.39 -0.10 0.00 -1.56 0.00 0.00 34.95 33.58 1wjx s ARG 46 CO 0.05 -0.19 0.98 -0.06 -0.81 0.00 0.00 175.30 175.27 1wjx s PHE 47 N -0.54 3.54 -0.23 5.12 0.40 -1.26 -1.38 117.98 123.63 1wjx s PHE 47 Ca -0.07 1.73 -0.05 0.00 -0.60 0.00 0.00 56.93 57.95 1wjx s PHE 47 Cb -0.03 -2.99 0.12 0.00 0.51 0.00 0.00 43.02 40.63 1wjx s PHE 47 CO 0.05 -0.08 0.42 -2.00 0.70 0.00 0.00 175.22 174.31 1wjx s GLU 48 N -2.22 0.36 -1.39 0.44 2.12 0.66 -4.94 118.70 113.73 1wjx s GLU 48 Ca 0.53 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 56.61 1wjx s GLU 48 Cb -0.20 0.00 0.04 0.00 0.26 0.00 0.00 34.13 34.23 1wjx s GLU 48 CO 0.25 -0.46 0.94 -0.25 -0.54 0.00 0.00 175.26 175.20 1wjx n ASP 49 N 5.38 -3.68 0.00 -1.70 8.00 -1.26 -2.32 116.55 120.98 1wjx n ASP 49 Ca -0.06 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1wjx n ASP 49 Cb 0.50 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 1wjx n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wjx n GLY 50 N -1.66 0.87 3.24 0.44 0.00 -1.26 -5.03 105.19 101.79 1wjx n GLY 50 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1wjx n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjx s GLU 51 N -0.16 1.18 -0.09 1.61 0.41 -0.98 -5.12 118.70 115.55 1wjx s GLU 51 Ca 0.00 -1.00 -0.17 0.00 -0.41 0.00 0.00 54.97 53.38 1wjx s GLU 51 Cb 0.00 -1.33 -0.05 0.00 -1.78 0.00 0.00 34.13 30.98 1wjx s GLU 51 CO 0.00 0.32 0.46 -1.17 -0.49 0.00 0.00 175.26 174.39 1wjx s LEU 52 N -1.51 4.32 0.06 1.80 2.96 -1.26 -0.25 118.68 124.81 1wjx s LEU 52 Ca 0.05 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 54.90 1wjx s LEU 52 Cb -0.09 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1wjx s LEU 52 CO 0.03 0.08 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.60 1wjx s TYR 53 N 0.23 1.96 -0.29 5.38 1.51 -0.48 -0.63 117.35 125.03 1wjx s TYR 53 Ca 0.25 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.80 1wjx s TYR 53 Cb -0.16 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1wjx s TYR 53 CO 0.11 0.14 0.23 -1.17 -1.11 0.00 0.00 175.55 173.75 1wjx s LEU 54 N -1.37 4.15 0.07 -1.29 2.96 0.82 -1.24 118.68 122.78 1wjx s LEU 54 Ca 0.09 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1wjx s LEU 54 Cb -0.09 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1wjx s LEU 54 CO 0.03 -0.12 0.03 -1.61 -1.32 0.00 0.00 176.35 173.36 1wjx s GLU 55 N 1.80 2.72 -1.85 1.98 2.02 0.12 -1.64 118.70 123.85 1wjx s GLU 55 Ca 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1wjx s GLU 55 Cb -0.16 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1wjx s GLU 55 CO 0.11 0.56 0.00 -1.71 0.02 0.00 0.00 175.26 174.24 1wjx n ASN 56 N 0.65 -5.74 -4.71 -0.19 5.15 -1.26 -2.09 115.26 107.07 1wjx n ASN 56 Ca -0.10 0.11 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 1wjx n ASN 56 Cb 0.52 -4.82 -0.05 0.00 -0.53 0.00 0.00 39.78 34.89 1wjx n ASN 56 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1wjx s LEU 57 N -5.60 4.27 -0.21 1.20 2.96 -1.26 -4.08 118.68 115.96 1wjx s LEU 57 Ca 0.00 0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 54.72 1wjx s LEU 57 Cb 0.00 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1wjx s LEU 57 CO 0.00 -0.08 0.37 -0.47 -1.32 0.00 0.00 176.35 174.85 1wjx s TYR 58 N 0.85 3.36 -0.21 5.38 6.14 -0.79 -4.24 117.35 127.83 1wjx s TYR 58 Ca 0.31 0.55 0.01 0.00 0.64 0.00 0.00 57.07 58.58 1wjx s TYR 58 Cb -0.16 -2.50 0.04 0.00 0.42 0.00 0.00 41.96 39.76 1wjx s TYR 58 CO 0.13 -0.02 -0.13 0.42 0.64 0.00 0.00 175.55 176.60 1wjx s ILE 59 N 1.34 1.85 0.47 3.14 1.01 -0.54 -0.92 121.20 127.56 1wjx s ILE 59 Ca 0.17 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1wjx s ILE 59 Cb -0.15 -1.86 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 1wjx s ILE 59 CO 0.08 0.22 1.16 0.00 0.00 0.00 0.00 174.94 176.40 1wjx n ALA 60 N 4.62 0.85 -0.61 9.38 0.00 -0.47 -4.62 120.51 129.65 1wjx n ALA 60 Ca -0.16 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1wjx n ALA 60 Cb 0.46 -2.20 0.20 0.00 0.00 0.00 0.00 19.45 17.91 1wjx n ALA 60 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wjx n PRO 61 N -0.27 -1.27 -1.28 0.00 -0.02 -1.26 -4.79 135.00 126.10 1wjx n PRO 61 Ca 0.09 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1wjx n PRO 61 Cb 0.42 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1wjx n PRO 61 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wjx n VAL 70 N -4.49 -5.09 -1.66 -1.45 0.31 -1.26 -4.98 118.33 99.71 1wjx n VAL 70 Ca 0.07 1.84 -0.42 0.00 -0.01 0.00 0.00 64.34 65.82 1wjx n VAL 70 Cb 0.53 -2.92 -0.03 0.00 -0.91 0.00 0.00 33.84 30.52 1wjx n VAL 70 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wjx s ASP 71 N -1.43 6.23 0.55 4.52 -1.08 -1.26 -4.83 116.67 119.37 1wjx s ASP 71 Ca 0.00 2.49 0.37 0.00 -0.52 0.00 0.00 52.55 54.89 1wjx s ASP 71 Cb 0.00 -2.53 1.96 0.00 -1.46 0.00 0.00 42.92 40.90 1wjx s ASP 71 CO 0.00 -1.26 2.12 -0.65 0.52 0.00 0.00 175.17 175.91 1wjx h PRO 72 N 11.59 0.00 -0.04 4.34 0.11 -1.94 -2.05 132.00 144.01 1wjx h PRO 72 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1wjx h PRO 72 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wjx h PRO 72 CO 0.95 0.00 -0.40 0.54 -0.21 0.00 0.00 178.00 178.88 1wjx n ARG 73 N -2.82 1.59 -1.31 1.05 1.74 -1.26 -1.47 116.66 114.19 1wjx n ARG 73 Ca -0.02 -3.21 -0.33 0.00 -0.77 0.00 0.00 57.85 53.52 1wjx n ARG 73 Cb 0.08 -1.63 0.10 0.00 -1.02 0.00 0.00 32.46 29.99 1wjx n ARG 73 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1wjx s ARG 74 N -3.20 2.05 0.16 5.56 1.70 -0.77 -4.24 118.95 120.20 1wjx s ARG 74 Ca 0.38 1.55 -0.30 0.00 -0.47 0.00 0.00 55.73 56.89 1wjx s ARG 74 Cb 0.36 -1.84 -0.07 0.00 -0.57 0.00 0.00 34.95 32.83 1wjx s ARG 74 CO -0.05 -1.86 1.14 0.21 -1.08 0.00 0.00 175.30 173.65 1wjx s LYS 75 N -4.26 4.54 -0.07 3.89 2.20 -1.26 -4.61 119.74 120.17 1wjx s LYS 75 Ca 0.69 1.76 0.05 0.00 -0.36 0.00 0.00 55.97 58.11 1wjx s LYS 75 Cb -0.24 -3.28 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1wjx s LYS 75 CO 0.49 -0.02 -0.22 1.03 -0.36 0.00 0.00 175.35 176.26 1wjx s ARG 76 N -0.06 2.48 0.18 4.03 0.52 -0.65 -4.96 118.95 120.48 1wjx s ARG 76 Ca 0.52 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 1wjx s ARG 76 Cb -0.30 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.07 1wjx s ARG 76 CO 0.34 0.27 1.18 0.21 0.02 0.00 0.00 175.30 177.32 1wjx s LYS 77 N 0.08 4.51 -0.01 3.54 2.20 -1.26 -0.13 119.74 128.66 1wjx s LYS 77 Ca -0.09 1.84 -0.02 0.00 -0.36 0.00 0.00 55.97 57.35 1wjx s LYS 77 Cb -0.15 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1wjx s LYS 77 CO 0.05 -0.07 0.13 -0.51 -0.36 0.00 0.00 175.35 174.59 1wjx s LEU 78 N -0.20 4.14 -0.26 5.43 1.43 0.20 -1.11 118.68 128.32 1wjx s LEU 78 Ca 0.52 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1wjx s LEU 78 Cb -0.32 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1wjx s LEU 78 CO 0.36 0.27 0.07 -0.76 0.23 0.00 0.00 176.35 176.52 1wjx s LEU 79 N -1.81 3.49 -0.05 1.79 1.43 0.77 -4.44 118.68 119.86 1wjx s LEU 79 Ca 0.25 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1wjx s LEU 79 Cb -0.12 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1wjx s LEU 79 CO 0.16 -0.06 -0.17 -0.76 0.23 0.00 0.00 176.35 175.75 1wjx s LEU 80 N 1.60 2.55 0.56 1.79 1.43 -1.26 -0.73 118.68 124.61 1wjx s LEU 80 Ca 0.06 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 1wjx s LEU 80 Cb -0.15 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1wjx s LEU 80 CO 0.03 0.32 1.01 -1.00 0.23 0.00 0.00 176.35 176.94 1wjx s HIS 81 N -0.56 3.38 0.27 0.29 3.76 -1.26 -4.84 115.29 116.33 1wjx s HIS 81 Ca 0.08 1.44 -0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1wjx s HIS 81 Cb -0.11 -2.82 0.57 0.00 1.11 0.00 0.00 32.58 31.32 1wjx s HIS 81 CO 0.01 -0.62 1.76 0.87 -0.85 0.00 0.00 174.74 175.91 1wjx h LYS 82 N 0.49 0.60 -0.37 1.40 1.57 -1.99 -1.47 116.57 116.79 1wjx h LYS 82 Ca -0.46 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 1wjx h LYS 82 Cb 1.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1wjx h LYS 82 CO 0.61 0.39 0.03 1.12 -0.57 0.00 0.00 179.45 181.03 1wjx h HIS 83 N 0.61 0.59 -0.01 -1.35 2.07 -2.00 -1.35 115.15 113.71 1wjx h HIS 83 Ca 0.48 -0.05 -0.24 0.00 -2.85 0.00 0.00 60.37 57.71 1wjx h HIS 83 Cb 0.71 -0.17 0.01 0.00 2.57 0.00 0.00 27.41 30.52 1wjx h HIS 83 CO -0.09 0.55 -0.96 1.49 -3.07 0.00 0.00 177.93 175.85 1wjx h GLU 84 N 0.55 0.55 -0.70 5.12 4.57 -1.69 -2.82 114.58 120.16 1wjx h GLU 84 Ca 0.12 -0.57 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1wjx h GLU 84 Cb 0.31 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1wjx h GLU 84 CO 0.01 1.19 0.46 1.25 -1.18 0.00 0.00 179.01 180.74 1wjx h LEU 85 N 0.32 0.81 -1.31 1.64 5.85 -0.99 -1.38 115.31 120.24 1wjx h LEU 85 Ca -0.09 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wjx h LEU 85 Cb 1.60 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1wjx h LEU 85 CO 0.18 0.59 0.29 -0.09 -0.34 0.00 0.00 178.44 179.07 1wjx h ARG 86 N 0.95 0.76 -0.39 1.25 2.43 -1.21 0.29 114.38 118.45 1wjx h ARG 86 Ca 0.26 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1wjx h ARG 86 Cb -0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1wjx h ARG 86 CO -0.05 0.57 -0.35 0.00 -1.51 0.00 0.00 179.97 178.63 1wjx h ARG 87 N 0.77 0.92 -0.03 0.20 3.08 -1.14 -3.34 114.38 114.84 1wjx h ARG 87 Ca 0.20 -0.47 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 1wjx h ARG 87 Cb 0.04 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1wjx h ARG 87 CO -0.03 1.13 -0.45 1.25 -1.07 0.00 0.00 179.97 180.80 1wjx h LEU 88 N 0.74 0.44 -9.13 3.04 5.85 -0.75 -3.45 115.31 112.06 1wjx h LEU 88 Ca 0.07 -0.72 -0.76 0.00 0.84 0.00 0.00 57.88 57.30 1wjx h LEU 88 Cb 0.94 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.86 1wjx h LEU 88 CO 0.09 1.10 0.72 0.18 -0.34 0.00 0.00 178.44 180.19 1wjx n LEU 89 N -4.33 1.85 0.00 2.25 4.77 0.04 -0.94 117.00 120.63 1wjx n LEU 89 Ca -0.09 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1wjx n LEU 89 Cb 0.59 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1wjx n LEU 89 CO 0.44 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 1wjx n GLY 90 N 3.67 0.98 0.02 -0.72 0.00 -1.26 -4.88 105.19 102.99 1wjx n GLY 90 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1wjx n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wjx n LYS 91 N -2.00 0.63 -0.01 1.61 4.01 -0.12 -4.60 118.16 117.68 1wjx n LYS 91 Ca 0.00 -0.13 -0.10 0.00 -0.51 0.00 0.00 58.31 57.58 1wjx n LYS 91 Cb 0.00 -1.38 -0.04 0.00 -0.51 0.00 0.00 35.03 33.10 1wjx n LYS 91 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1wjx h VAL 92 N 0.00 0.86 -2.79 -0.18 2.07 -1.90 -3.30 116.25 111.01 1wjx h VAL 92 Ca -0.05 0.00 -0.76 0.00 0.82 0.00 0.00 66.70 66.71 1wjx h VAL 92 Cb 0.89 0.86 -0.22 0.00 -1.52 0.00 0.00 31.29 31.30 1wjx h VAL 92 CO 0.00 0.00 0.90 -1.61 0.02 0.00 0.00 177.57 176.89 1wjx s GLU 93 N -6.20 4.05 -0.00 1.57 0.41 -1.26 -4.71 118.70 112.56 1wjx s GLU 93 Ca -0.13 -2.71 0.04 0.00 -0.41 0.00 0.00 54.97 51.75 1wjx s GLU 93 Cb 0.09 -4.83 -0.01 0.00 -1.78 0.00 0.00 34.13 27.60 1wjx s GLU 93 CO 0.68 -1.55 -0.12 -0.65 -0.49 0.00 0.00 175.26 173.12 1wjx s GLN 94 N 0.61 0.98 -0.25 1.61 -0.21 -1.25 -5.06 119.66 116.09 1wjx s GLN 94 Ca 0.36 -0.49 -0.42 0.00 0.02 0.00 0.00 55.36 54.84 1wjx s GLN 94 Cb -0.06 -0.95 -0.18 0.00 1.00 0.00 0.00 33.01 32.83 1wjx s GLN 94 CO -0.04 0.26 1.57 0.36 -2.12 0.00 0.00 175.29 175.31 1wjx n LYS 95 N 2.64 0.70 -0.86 2.91 2.85 -1.26 -1.62 118.16 123.52 1wjx n LYS 95 Ca -0.15 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1wjx n LYS 95 Cb 0.56 -1.86 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1wjx n LYS 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wjx n GLY 96 N 3.58 0.51 3.60 2.58 0.00 -1.26 -5.01 105.19 109.19 1wjx n GLY 96 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1wjx n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wjx s LEU 97 N 0.00 3.14 -0.02 0.99 1.43 -0.64 -4.33 118.68 119.25 1wjx s LEU 97 Ca 0.00 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1wjx s LEU 97 Cb 0.00 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1wjx s LEU 97 CO 0.00 0.22 -0.08 -0.89 0.23 0.00 0.00 176.35 175.84 1wjx s THR 98 N -1.13 0.66 -0.41 5.49 2.01 -0.68 -4.61 115.64 116.96 1wjx s THR 98 Ca 0.20 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.68 1wjx s THR 98 Cb -0.11 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1wjx s THR 98 CO 0.12 0.21 0.75 -0.22 -0.69 0.00 0.00 174.62 174.79 1wjx s LEU 99 N 0.20 4.25 0.14 4.42 2.96 -1.26 -0.02 118.68 129.37 1wjx s LEU 99 Ca -0.03 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.99 1wjx s LEU 99 Cb -0.08 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 1wjx s LEU 99 CO 0.00 -0.81 -0.21 0.68 -1.32 0.00 0.00 176.35 174.69 1wjx s VAL 100 N 3.11 1.89 -0.00 1.68 -7.23 -0.40 -0.58 120.40 118.86 1wjx s VAL 100 Ca 0.29 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1wjx s VAL 100 Cb -0.13 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1wjx s VAL 100 CO 0.20 -0.15 1.21 -2.16 -0.31 0.00 0.00 175.10 173.89 1wjx s PRO 101 N -2.37 4.38 -0.22 4.82 0.04 -1.26 -1.04 135.00 139.35 1wjx s PRO 101 Ca 0.13 1.73 0.13 0.00 0.04 0.00 0.00 61.00 63.03 1wjx s PRO 101 Cb -0.08 -3.47 -0.22 0.00 0.04 0.00 0.00 34.50 30.76 1wjx s PRO 101 CO 0.06 -0.37 -0.03 1.28 0.04 0.00 0.00 177.00 177.98 1wjx n LEU 102 N 4.68 0.98 -3.50 -3.56 4.77 0.12 -4.69 117.00 115.79 1wjx n LEU 102 Ca 0.10 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 1wjx n LEU 102 Cb 0.46 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1wjx n LEU 102 CO 0.56 0.64 0.50 -1.59 -1.33 0.00 0.00 177.39 176.17 1wjx s LYS 103 N -2.50 1.03 -0.03 3.23 -2.85 -1.20 -0.97 119.74 116.46 1wjx s LYS 103 Ca -0.18 -0.02 0.03 0.00 -1.00 0.00 0.00 55.97 54.79 1wjx s LYS 103 Cb 0.07 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1wjx s LYS 103 CO 0.75 -0.38 -0.11 0.42 0.10 0.00 0.00 175.35 176.13 1wjx s ILE 104 N -2.11 0.96 0.29 3.79 1.01 0.02 -1.06 121.20 124.11 1wjx s ILE 104 Ca -0.05 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1wjx s ILE 104 Cb -0.00 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1wjx s ILE 104 CO 0.00 0.29 0.67 -0.72 0.00 0.00 0.00 174.94 175.19 1wjx s TYR 105 N 0.13 0.02 -0.07 3.97 -0.85 -0.67 -1.12 117.35 118.76 1wjx s TYR 105 Ca -0.03 -0.49 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 1wjx s TYR 105 Cb -0.09 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1wjx s TYR 105 CO 0.01 -1.24 -0.15 -0.06 -1.52 0.00 0.00 175.55 172.59 1wjx s PHE 106 N -3.64 2.71 0.76 -3.49 0.40 -1.26 -0.06 117.98 113.39 1wjx s PHE 106 Ca 0.15 -0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 1wjx s PHE 106 Cb -0.05 -1.69 0.17 0.00 0.51 0.00 0.00 43.02 41.96 1wjx s PHE 106 CO 0.09 0.04 1.03 0.27 0.70 0.00 0.00 175.22 177.35 1wjx n ASN 107 N 2.71 0.47 -0.36 1.36 0.23 -0.71 -4.89 115.26 114.07 1wjx n ASN 107 Ca -0.17 -1.61 0.08 0.00 -0.53 0.00 0.00 54.58 52.34 1wjx n ASN 107 Cb 0.52 -0.75 0.25 0.00 -2.08 0.00 0.00 39.78 37.72 1wjx n ASN 107 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wjx h GLU 108 N 0.00 0.94 -0.03 -3.83 3.07 -2.00 -1.00 114.58 111.73 1wjx h GLU 108 Ca -0.34 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1wjx h GLU 108 Cb 1.02 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1wjx h GLU 108 CO 0.27 0.62 0.00 0.54 -1.40 0.00 0.00 179.01 179.05 1wjx n ARG 109 N -4.62 1.10 -0.97 2.33 1.74 -1.26 -4.89 116.66 110.09 1wjx n ARG 109 Ca 0.19 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1wjx n ARG 109 Cb 0.37 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1wjx n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wjx n GLY 110 N 0.69 0.46 3.73 -0.13 0.00 -0.38 -5.03 105.19 104.52 1wjx n GLY 110 Ca 0.07 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1wjx n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wjx s TYR 111 N -2.00 3.74 0.03 1.61 1.51 -1.26 -4.81 117.35 116.17 1wjx s TYR 111 Ca 0.00 1.67 -0.30 0.00 -1.01 0.00 0.00 57.07 57.43 1wjx s TYR 111 Cb 0.00 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.80 1wjx s TYR 111 CO 0.00 0.15 1.04 0.00 -1.11 0.00 0.00 175.55 175.64 1wjx s ALA 112 N 0.32 3.24 0.10 3.71 0.00 -1.26 -1.73 121.76 126.13 1wjx s ALA 112 Ca 0.46 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.13 1wjx s ALA 112 Cb -0.22 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1wjx s ALA 112 CO 0.27 -0.28 -0.19 0.15 0.00 0.00 0.00 175.76 175.72 1wjx s LYS 113 N 0.93 1.05 -0.05 0.00 -0.14 0.91 -2.01 119.74 120.43 1wjx s LYS 113 Ca 0.54 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 1wjx s LYS 113 Cb -0.24 -1.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.71 1wjx s LYS 113 CO 0.29 0.28 -0.12 0.54 -0.76 0.00 0.00 175.35 175.57 1wjx s VAL 114 N -1.28 1.08 -0.25 3.17 0.11 0.19 -1.67 120.40 121.75 1wjx s VAL 114 Ca 0.05 -0.48 -0.15 0.00 -2.93 0.00 0.00 61.98 58.47 1wjx s VAL 114 Cb -0.10 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1wjx s VAL 114 CO 0.04 0.33 0.36 -0.22 -3.33 0.00 0.00 175.10 172.28 1wjx s LEU 115 N 0.41 4.07 0.11 2.54 2.96 -0.22 -1.70 118.68 126.84 1wjx s LEU 115 Ca -0.09 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1wjx s LEU 115 Cb -0.13 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1wjx s LEU 115 CO 0.02 -0.14 0.09 -0.76 -1.32 0.00 0.00 176.35 174.25 1wjx s LEU 116 N 1.82 3.79 -0.01 -0.68 1.43 0.13 0.11 118.68 125.27 1wjx s LEU 116 Ca 0.15 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1wjx s LEU 116 Cb -0.15 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1wjx s LEU 116 CO 0.09 0.14 0.09 -0.83 0.23 0.00 0.00 176.35 176.08 1wjx s GLY 117 N -2.60 0.03 -0.23 -3.19 0.00 -0.20 -0.71 107.32 100.41 1wjx s GLY 117 Ca 0.30 -0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 1wjx s GLY 117 CO 0.22 -0.12 0.96 1.08 0.00 0.00 0.00 173.10 175.24 1wjx s LEU 118 N -0.79 4.09 -0.09 0.66 1.43 -0.55 -1.27 118.68 122.16 1wjx s LEU 118 Ca -0.09 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1wjx s LEU 118 Cb -0.05 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1wjx s LEU 118 CO 0.00 -0.61 -0.05 0.00 0.23 0.00 0.00 176.35 175.93 1wjx s ALA 119 N 3.05 3.05 0.01 4.21 0.00 0.97 -0.62 121.76 132.43 1wjx s ALA 119 Ca 0.40 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1wjx s ALA 119 Cb -0.15 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1wjx s ALA 119 CO 0.07 0.52 -0.22 0.50 0.00 0.00 0.00 175.76 176.63 1wjx s ARG 120 N -0.64 1.59 0.01 0.00 3.52 -0.47 -1.68 118.95 121.28 1wjx s ARG 120 Ca 0.10 -0.87 -0.36 0.00 -0.13 0.00 0.00 55.73 54.47 1wjx s ARG 120 Cb -0.12 -1.63 -0.14 0.00 -1.56 0.00 0.00 34.95 31.50 1wjx s ARG 120 CO 0.02 0.43 1.61 0.41 -0.81 0.00 0.00 175.30 176.96 1wjx n GLY 121 N 2.19 0.97 0.51 8.12 0.00 -1.26 -1.12 105.19 114.61 1wjx n GLY 121 Ca -0.16 0.76 0.14 0.00 0.00 0.00 0.00 46.02 46.76 1wjx n GLY 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49