#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j95 s VAL 17 N 0.00 5.19 0.00 1.39 1.01 0.14 -4.13 120.40 124.01 2j95 s VAL 17 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2j95 s VAL 17 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2j95 s VAL 17 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2j95 n GLY 18 N 4.69 -0.64 7.00 4.51 0.00 -1.26 -2.00 105.19 117.49 2j95 n GLY 18 Ca -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2j95 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j95 n GLY 19 N 0.00 0.41 3.42 -0.02 0.00 -1.26 -4.93 105.19 102.81 2j95 n GLY 19 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 2j95 n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2j95 s GLN 20 N 0.00 1.54 0.43 1.61 0.00 -0.32 -5.00 119.66 117.92 2j95 s GLN 20 Ca 0.00 -1.55 -0.24 0.00 -0.00 0.00 0.00 55.36 53.56 2j95 s GLN 20 Cb 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 33.01 33.32 2j95 s GLN 20 CO 0.00 -0.60 1.20 -1.21 0.00 0.00 0.00 175.29 174.68 2j95 s GLU 21 N -3.79 3.89 -0.12 9.60 2.02 -1.26 -0.87 118.70 128.16 2j95 s GLU 21 Ca 0.31 1.89 -0.29 0.00 0.02 0.00 0.00 54.97 56.89 2j95 s GLU 21 Cb 0.02 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 2j95 s GLU 21 CO 0.14 -0.48 1.28 0.00 0.02 0.00 0.00 175.26 176.23 2j95 s LYS 23 N 3.14 1.14 -0.04 0.00 -0.14 -1.26 -4.90 119.74 117.68 2j95 s LYS 23 Ca 0.57 -0.31 -0.33 0.00 -1.36 0.00 0.00 55.97 54.53 2j95 s LYS 23 Cb -0.24 -1.92 -0.12 0.00 -1.68 0.00 0.00 37.83 33.87 2j95 s LYS 23 CO 0.18 -2.07 1.86 -3.47 -0.76 0.00 0.00 175.35 171.09 2j95 n ASP 24 N -3.54 3.55 0.00 2.83 2.03 -1.26 -1.40 116.55 118.76 2j95 n ASP 24 Ca 0.13 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2j95 n ASP 24 Cb 0.60 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 2j95 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j95 n GLY 25 N 4.32 1.31 0.20 0.27 0.00 -1.26 -4.94 105.19 105.08 2j95 n GLY 25 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 2j95 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j95 h GLU 26 N 3.00 0.00 -1.66 1.61 5.08 -1.58 -3.37 114.58 117.65 2j95 h GLU 26 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2j95 h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 2j95 h GLU 26 CO 0.00 0.09 -1.06 0.00 -1.00 0.00 0.00 179.01 177.04 2j95 h PRO 28 N 2.95 0.00 -0.00 0.00 0.13 -1.80 -2.65 132.00 130.62 2j95 h PRO 28 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2j95 h PRO 28 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2j95 h PRO 28 CO 0.59 0.03 -0.03 -2.67 -0.23 0.00 0.00 178.00 175.68 2j95 n TRP 29 N -3.15 0.00 -1.99 1.56 2.14 -1.05 -1.89 117.44 113.06 2j95 n TRP 29 Ca -0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2j95 n TRP 29 Cb 0.27 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.64 2j95 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2j95 s GLN 30 N -2.23 4.24 0.21 -2.67 2.00 -1.00 -0.85 119.66 119.36 2j95 s GLN 30 Ca 0.38 2.30 0.10 0.00 -2.00 0.00 0.00 55.36 56.13 2j95 s GLN 30 Cb 0.21 -3.16 -0.05 0.00 0.80 0.00 0.00 33.01 30.81 2j95 s GLN 30 CO 0.41 -0.54 -0.19 0.00 -0.50 0.00 0.00 175.29 174.47 2j95 s ALA 31 N 0.90 2.31 -0.09 1.58 0.00 -0.72 -4.48 121.76 121.27 2j95 s ALA 31 Ca 0.67 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2j95 s ALA 31 Cb -0.42 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2j95 s ALA 31 CO 0.33 0.24 -0.09 -1.17 0.00 0.00 0.00 175.76 175.08 2j95 s LEU 32 N -3.05 1.38 -0.08 0.00 2.96 -0.24 -1.68 118.68 117.96 2j95 s LEU 32 Ca 0.22 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.62 2j95 s LEU 32 Cb -0.05 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 2j95 s LEU 32 CO 0.10 -0.05 0.70 -0.76 -1.32 0.00 0.00 176.35 175.02 2j95 s LEU 33 N 1.20 4.30 -0.03 -0.68 1.43 0.29 -0.94 118.68 124.25 2j95 s LEU 33 Ca -0.05 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.29 2j95 s LEU 33 Cb -0.14 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2j95 s LEU 33 CO -0.02 -0.14 -0.25 0.27 0.23 0.00 0.00 176.35 176.43 2j95 s ILE 34 N 0.95 1.98 0.57 -0.59 -4.36 -0.16 -1.98 121.20 117.62 2j95 s ILE 34 Ca 0.37 -1.07 -0.07 0.00 -0.26 0.00 0.00 60.65 59.62 2j95 s ILE 34 Cb -0.17 -1.65 0.13 0.00 1.25 0.00 0.00 42.46 42.01 2j95 s ILE 34 CO 0.17 0.56 0.78 -0.46 0.24 0.00 0.00 174.94 176.23 2j95 n ASN 35 N 2.55 0.29 0.23 4.36 0.23 -0.25 -1.62 115.26 121.05 2j95 n ASN 35 Ca -0.16 -1.42 0.12 0.00 -0.53 0.00 0.00 54.58 52.59 2j95 n ASN 35 Cb 0.51 -0.57 0.73 0.00 -2.08 0.00 0.00 39.78 38.37 2j95 n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2j95 h GLU 36 N 0.00 0.00 -0.11 -3.83 5.08 -1.89 0.20 114.58 114.02 2j95 h GLU 36 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2j95 h GLU 36 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2j95 h GLU 36 CO 0.20 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.60 2j95 n GLU 37 N -4.29 1.38 -2.44 2.33 1.02 -1.26 -4.91 120.64 112.47 2j95 n GLU 37 Ca -0.01 -0.58 -0.16 0.00 -0.02 0.00 0.00 57.16 56.40 2j95 n GLU 37 Cb 0.17 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2j95 n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2j95 n ASN 38 N -0.16 -4.76 -4.55 1.62 5.03 0.71 -5.02 115.26 108.14 2j95 n ASN 38 Ca 0.12 -0.07 -0.34 0.00 0.87 0.00 0.00 54.58 55.17 2j95 n ASN 38 Cb 0.18 -3.81 -0.11 0.00 -1.02 0.00 0.00 39.78 35.02 2j95 n ASN 38 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2j95 s GLU 39 N -4.94 3.65 0.16 3.52 2.02 -1.25 -4.84 118.70 117.01 2j95 s GLU 39 Ca 0.06 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 2j95 s GLU 39 Cb -0.03 -2.96 -0.08 0.00 0.10 0.00 0.00 34.13 31.17 2j95 s GLU 39 CO 0.07 0.30 1.21 0.20 0.02 0.00 0.00 175.26 177.07 2j95 s GLY 40 N 0.22 2.57 0.00 -1.39 0.00 -1.26 -1.09 107.32 106.36 2j95 s GLY 40 Ca -0.01 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2j95 s GLY 40 CO 0.02 1.93 0.10 1.97 0.00 0.00 0.00 173.10 177.12 2j95 n PHE 41 N 2.89 0.00 -3.60 1.90 1.16 -0.84 -4.96 117.46 114.02 2j95 n PHE 41 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.56 2j95 n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 2j95 n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2j95 n GLY 43 N -0.37 2.61 3.81 0.00 0.00 0.12 -0.55 105.19 110.81 2j95 n GLY 43 Ca -0.09 -2.28 -0.07 0.00 0.00 0.00 0.00 46.02 43.58 2j95 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j95 s GLY 44 N -4.11 -0.01 -0.09 -0.02 0.00 -0.68 -3.57 107.32 98.83 2j95 s GLY 44 Ca 0.34 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2j95 s GLY 44 CO 0.22 -0.16 -0.20 -1.59 0.00 0.00 0.00 173.10 171.36 2j95 s THR 45 N -3.93 1.79 -0.16 0.90 2.01 -0.00 -1.76 115.64 114.49 2j95 s THR 45 Ca 0.12 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2j95 s THR 45 Cb -0.05 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2j95 s THR 45 CO 0.07 0.50 1.43 -0.63 -0.69 0.00 0.00 174.62 175.30 2j95 s ILE 46 N 0.48 3.97 -0.15 1.82 1.01 -0.03 -0.29 121.20 128.01 2j95 s ILE 46 Ca -0.17 1.16 0.19 0.00 0.00 0.00 0.00 60.65 61.83 2j95 s ILE 46 Cb -0.17 -3.82 -0.27 0.00 0.01 0.00 0.00 42.46 38.21 2j95 s ILE 46 CO 0.07 -0.18 0.20 0.18 0.00 0.00 0.00 174.94 175.20 2j95 n LEU 47 N 7.18 0.01 0.00 2.97 4.77 -0.41 -1.86 117.00 129.66 2j95 n LEU 47 Ca 0.16 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2j95 n LEU 47 Cb 0.45 0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.90 2j95 n LEU 47 CO 0.60 0.36 0.52 -1.54 -1.33 0.00 0.00 177.39 175.99 2j95 n SER 48 N -2.62 -0.94 0.22 -1.43 3.41 -1.16 -4.73 113.62 106.38 2j95 n SER 48 Ca -0.25 -1.43 0.07 0.00 -0.26 0.00 0.00 58.87 57.01 2j95 n SER 48 Cb 0.99 1.51 0.51 0.00 -0.26 0.00 0.00 64.21 66.96 2j95 n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2j95 h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.18 114.58 117.86 2j95 h GLU 49 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2j95 h GLU 49 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2j95 h GLU 49 CO 0.21 0.25 -0.99 1.19 0.07 0.00 0.00 179.01 179.74 2j95 n PHE 50 N -3.83 0.00 -5.08 2.06 3.72 -1.26 -0.25 117.46 112.82 2j95 n PHE 50 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 2j95 n PHE 50 Cb 0.34 -0.10 -0.15 0.00 -0.94 0.00 0.00 39.48 38.63 2j95 n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2j95 s TYR 51 N -2.61 2.10 -0.07 1.38 2.02 -1.20 -1.02 117.35 117.95 2j95 s TYR 51 Ca 0.03 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 2j95 s TYR 51 Cb 0.11 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.34 2j95 s TYR 51 CO 0.63 -0.00 -0.22 0.42 -1.57 0.00 0.00 175.55 174.81 2j95 s ILE 52 N -0.61 1.87 -0.10 2.71 -1.09 -0.69 -1.28 121.20 122.01 2j95 s ILE 52 Ca 0.09 -0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 57.42 2j95 s ILE 52 Cb -0.09 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2j95 s ILE 52 CO -0.00 0.52 0.40 -0.22 -1.23 0.00 0.00 174.94 174.41 2j95 s LEU 53 N 0.16 4.33 0.00 2.97 2.96 0.60 -0.66 118.68 129.03 2j95 s LEU 53 Ca -0.11 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2j95 s LEU 53 Cb -0.15 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.98 2j95 s LEU 53 CO 0.06 0.13 0.07 1.07 -1.32 0.00 0.00 176.35 176.36 2j95 n THR 54 N 3.08 0.00 -3.85 3.68 5.66 0.20 -0.82 114.28 122.23 2j95 n THR 54 Ca -0.11 -0.32 -0.37 0.00 -3.05 0.00 0.00 64.05 60.20 2j95 n THR 54 Cb 0.52 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.43 2j95 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2j95 s ALA 55 N -1.88 3.87 0.36 1.79 0.00 -1.26 -1.44 121.76 123.20 2j95 s ALA 55 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2j95 s ALA 55 Cb -0.00 -2.00 0.67 0.00 0.00 0.00 0.00 23.12 21.79 2j95 s ALA 55 CO 0.04 0.61 2.02 0.00 0.00 0.00 0.00 175.76 178.42 2j95 h ALA 56 N 4.95 1.57 0.00 0.00 0.00 -1.74 -2.26 119.26 121.79 2j95 h ALA 56 Ca -0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2j95 h ALA 56 Cb 1.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2j95 h ALA 56 CO 0.58 0.40 -0.06 1.12 0.00 0.00 0.00 179.25 181.29 2j95 h HIS 57 N 0.80 0.00 0.00 0.00 2.07 -1.93 -2.35 115.15 113.75 2j95 h HIS 57 Ca 0.22 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.69 2j95 h HIS 57 Cb -0.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.89 2j95 h HIS 57 CO 0.00 0.06 -0.20 0.00 -3.07 0.00 0.00 177.93 174.72 2j95 n LEU 59 N -3.45 1.32 0.00 0.00 4.77 -0.88 -2.34 117.00 116.41 2j95 n LEU 59 Ca -0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2j95 n LEU 59 Cb 0.38 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2j95 n LEU 59 CO 0.32 0.26 0.00 -1.22 -1.33 0.00 0.00 177.39 175.42 2j95 n TYR 60 N 0.34 0.00 1.09 -1.77 4.02 -1.24 -4.81 117.16 114.79 2j95 n TYR 60 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 2j95 n TYR 60 Cb 0.26 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.76 2j95 n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2j95 n GLN 61 N -0.22 1.69 -3.64 -0.72 6.02 -0.99 -4.82 117.38 114.70 2j95 n GLN 61 Ca 0.00 -1.06 -0.06 0.00 -0.01 0.00 0.00 57.00 55.86 2j95 n GLN 61 Cb 0.01 -1.26 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 2j95 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j95 s ALA 61 N -1.63 -2.10 -0.01 -1.58 0.00 -1.26 -5.05 121.76 110.12 2j95 s ALA 61 Ca 0.22 1.93 -0.25 0.00 0.00 0.00 0.00 51.96 53.86 2j95 s ALA 61 Cb 0.12 -1.57 -0.19 0.00 0.00 0.00 0.00 23.12 21.48 2j95 s ALA 61 CO 0.16 -0.25 1.25 0.87 0.00 0.00 0.00 175.76 177.79 2j95 h LYS 62 N 4.54 -0.08 -5.05 0.00 1.57 -1.95 -3.44 116.57 112.15 2j95 h LYS 62 Ca -0.28 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.03 2j95 h LYS 62 Cb 1.18 0.02 -0.30 0.00 0.08 0.00 0.00 32.23 33.21 2j95 h LYS 62 CO 0.14 0.36 -0.81 1.03 -0.57 0.00 0.00 179.45 179.60 2j95 s ARG 63 N -4.33 1.21 0.11 3.15 0.52 -1.26 -5.12 118.95 113.22 2j95 s ARG 63 Ca -0.15 -0.46 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 2j95 s ARG 63 Cb 0.02 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 2j95 s ARG 63 CO 0.64 0.23 0.17 -0.59 0.02 0.00 0.00 175.30 175.77 2j95 s PHE 64 N -0.08 0.35 0.39 -0.53 -0.71 -1.26 -3.99 117.98 112.14 2j95 s PHE 64 Ca 0.01 -0.77 0.04 0.00 -1.04 0.00 0.00 56.93 55.16 2j95 s PHE 64 Cb -0.08 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.54 2j95 s PHE 64 CO 0.00 -0.57 0.06 0.15 -1.34 0.00 0.00 175.22 173.52 2j95 s LYS 65 N -3.92 1.85 -0.16 1.99 1.02 -0.64 -4.56 119.74 115.32 2j95 s LYS 65 Ca 0.11 -2.08 0.01 0.00 0.02 0.00 0.00 55.97 54.03 2j95 s LYS 65 Cb 0.05 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.34 2j95 s LYS 65 CO -0.06 -0.26 -0.19 0.08 -0.92 0.00 0.00 175.35 173.99 2j95 s VAL 66 N -3.12 2.23 -0.13 3.17 1.01 -0.07 -0.98 120.40 122.51 2j95 s VAL 66 Ca 0.29 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2j95 s VAL 66 Cb 0.06 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2j95 s VAL 66 CO 0.14 0.53 0.03 -0.60 0.00 0.00 0.00 175.10 175.20 2j95 s ARG 67 N 0.99 3.42 0.25 2.72 3.52 -0.12 -0.35 118.95 129.38 2j95 s ARG 67 Ca -0.03 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2j95 s ARG 67 Cb -0.15 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 2j95 s ARG 67 CO -0.05 0.53 -0.01 0.14 -0.81 0.00 0.00 175.30 175.10 2j95 s VAL 68 N -0.38 1.21 -0.83 7.11 -7.23 -0.38 -1.08 120.40 118.82 2j95 s VAL 68 Ca 0.08 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2j95 s VAL 68 Cb -0.12 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2j95 s VAL 68 CO 0.02 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 2j95 n GLY 69 N -0.49 0.53 3.49 2.32 0.00 -1.25 -1.42 105.19 108.37 2j95 n GLY 69 Ca -0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2j95 n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j95 s ASP 70 N -2.76 4.16 0.00 1.61 2.15 -1.26 -3.36 116.67 117.21 2j95 s ASP 70 Ca 0.00 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.81 2j95 s ASP 70 Cb 0.00 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 2j95 s ASP 70 CO 0.00 0.33 0.00 0.54 -0.17 0.00 0.00 175.17 175.87 2j95 n ARG 71 N 2.43 2.14 -3.69 4.34 1.74 -1.26 -4.86 116.66 117.50 2j95 n ARG 71 Ca -0.17 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.63 2j95 n ARG 71 Cb 0.52 -0.82 -0.17 0.00 -1.02 0.00 0.00 32.46 30.98 2j95 n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2j95 s ASN 72 N -1.29 2.79 0.00 0.55 3.84 -1.26 -1.10 114.94 118.48 2j95 s ASN 72 Ca 0.00 -0.80 0.19 0.00 0.21 0.00 0.00 52.86 52.46 2j95 s ASN 72 Cb 0.00 -0.49 1.13 0.00 -0.55 0.00 0.00 41.25 41.34 2j95 s ASN 72 CO 0.00 -0.33 1.53 0.35 -2.79 0.00 0.00 177.10 175.87 2j95 n THR 73 N 5.12 0.00 0.62 -5.21 -2.24 -0.16 -3.11 114.28 109.29 2j95 n THR 73 Ca -0.08 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.77 2j95 n THR 73 Cb 0.47 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 68.12 2j95 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2j95 n GLU 74 N -0.96 1.19 -3.89 -0.78 1.02 -1.26 -5.01 120.64 110.96 2j95 n GLU 74 Ca 0.14 -1.27 -0.11 0.00 -0.02 0.00 0.00 57.16 55.91 2j95 n GLU 74 Cb 0.06 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 2j95 n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2j95 s GLN 75 N -1.32 0.50 -0.50 3.49 -0.21 -1.18 -5.12 119.66 115.31 2j95 s GLN 75 Ca 0.16 -0.48 -0.18 0.00 0.02 0.00 0.00 55.36 54.88 2j95 s GLN 75 Cb 0.12 0.20 0.07 0.00 1.00 0.00 0.00 33.01 34.40 2j95 s GLN 75 CO 0.21 -0.12 0.55 -1.21 -2.12 0.00 0.00 175.29 172.61 2j95 s GLU 76 N -1.63 3.07 0.29 2.91 2.02 -1.26 -4.78 118.70 119.32 2j95 s GLU 76 Ca -0.13 -1.10 0.24 0.00 0.02 0.00 0.00 54.97 54.00 2j95 s GLU 76 Cb -0.07 -4.13 0.47 0.00 0.10 0.00 0.00 34.13 30.50 2j95 s GLU 76 CO 0.00 -1.19 1.57 0.93 0.02 0.00 0.00 175.26 176.59 2j95 h GLU 77 N 8.93 0.00 0.00 1.61 4.39 -1.94 -3.48 114.58 124.09 2j95 h GLU 77 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2j95 h GLU 77 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2j95 h GLU 77 CO 0.95 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.21 2j95 n GLY 78 N 1.21 0.18 0.33 -3.84 0.00 -1.26 -4.94 105.19 96.86 2j95 n GLY 78 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2j95 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j95 n GLY 79 N -1.84 -0.18 3.77 -0.02 0.00 -1.26 -5.02 105.19 100.64 2j95 n GLY 79 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2j95 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j95 s GLU 80 N -2.32 3.69 -0.17 1.61 8.01 -1.21 -4.45 118.70 123.86 2j95 s GLU 80 Ca 0.14 1.77 -0.11 0.00 0.01 0.00 0.00 54.97 56.78 2j95 s GLU 80 Cb 0.15 -2.36 0.05 0.00 -4.31 0.00 0.00 34.13 27.66 2j95 s GLU 80 CO 0.55 -0.61 0.41 0.00 0.01 0.00 0.00 175.26 175.63 2j95 s ALA 81 N -1.56 -1.05 -0.11 5.21 0.00 -0.51 -4.99 121.76 118.75 2j95 s ALA 81 Ca 0.65 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.97 2j95 s ALA 81 Cb -0.29 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2j95 s ALA 81 CO 0.34 -0.24 0.04 0.08 0.00 0.00 0.00 175.76 175.98 2j95 s VAL 82 N 0.95 4.65 -0.03 0.00 1.01 -1.26 -1.25 120.40 124.47 2j95 s VAL 82 Ca -0.06 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2j95 s VAL 82 Cb -0.06 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 2j95 s VAL 82 CO -0.08 0.58 -0.12 -1.00 0.00 0.00 0.00 175.10 174.48 2j95 s HIS 83 N -0.66 1.19 0.38 5.22 3.76 0.53 -4.98 115.29 120.73 2j95 s HIS 83 Ca 0.11 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.55 2j95 s HIS 83 Cb -0.12 -0.81 -0.10 0.00 1.11 0.00 0.00 32.58 32.66 2j95 s HIS 83 CO 0.02 -0.09 0.84 -1.21 -0.85 0.00 0.00 174.74 173.45 2j95 s GLU 84 N 0.02 4.09 -0.16 1.40 2.02 -1.26 -0.89 118.70 123.93 2j95 s GLU 84 Ca -0.01 0.87 -0.15 0.00 0.02 0.00 0.00 54.97 55.71 2j95 s GLU 84 Cb -0.08 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 2j95 s GLU 84 CO 0.01 0.05 0.33 0.08 0.02 0.00 0.00 175.26 175.75 2j95 s VAL 85 N -2.11 5.28 -0.16 2.63 1.01 -1.26 -0.97 120.40 124.82 2j95 s VAL 85 Ca 0.58 0.63 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 2j95 s VAL 85 Cb -0.10 -3.67 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 2j95 s VAL 85 CO 0.16 0.37 0.32 -0.08 0.00 0.00 0.00 175.10 175.88 2j95 h GLU 86 N 6.74 0.14 -3.90 2.72 4.81 -0.65 -3.44 114.58 121.00 2j95 h GLU 86 Ca -0.41 -0.24 -0.31 0.00 -0.13 0.00 0.00 59.36 58.27 2j95 h GLU 86 Cb 1.17 0.09 -0.31 0.00 0.63 0.00 0.00 28.75 30.33 2j95 h GLU 86 CO 0.75 1.11 -0.74 0.08 -0.73 0.00 0.00 179.01 179.49 2j95 s VAL 87 N -2.46 0.21 -0.27 0.32 1.01 -1.04 -5.02 120.40 113.16 2j95 s VAL 87 Ca -0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2j95 s VAL 87 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2j95 s VAL 87 CO 0.69 0.10 0.08 -0.69 0.00 0.00 0.00 175.10 175.28 2j95 s VAL 88 N 0.45 4.16 -0.43 2.92 1.01 -1.26 -1.23 120.40 126.01 2j95 s VAL 88 Ca -0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2j95 s VAL 88 Cb -0.07 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.38 2j95 s VAL 88 CO -0.01 0.22 0.27 -0.63 0.00 0.00 0.00 175.10 174.95 2j95 s ILE 89 N 1.57 3.83 -0.02 2.22 1.01 0.37 -5.02 121.20 125.15 2j95 s ILE 89 Ca 0.05 -1.81 -0.06 0.00 0.00 0.00 0.00 60.65 58.83 2j95 s ILE 89 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2j95 s ILE 89 CO 0.03 -0.68 0.23 -0.75 0.00 0.00 0.00 174.94 173.77 2j95 s LYS 90 N 1.29 3.54 0.16 2.79 2.20 -1.26 -0.60 119.74 127.85 2j95 s LYS 90 Ca 0.06 -0.11 -0.31 0.00 -0.36 0.00 0.00 55.97 55.24 2j95 s LYS 90 Cb -0.24 -3.11 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 2j95 s LYS 90 CO -0.02 0.69 1.46 -1.58 -0.36 0.00 0.00 175.35 175.54 2j95 s HIS 91 N -1.23 3.15 0.28 4.03 5.65 -0.96 -4.89 115.29 121.31 2j95 s HIS 91 Ca 0.24 0.86 0.20 0.00 0.25 0.00 0.00 55.06 56.62 2j95 s HIS 91 Cb -0.13 -3.79 0.94 0.00 -1.18 0.00 0.00 32.58 28.42 2j95 s HIS 91 CO 0.14 -2.77 1.86 -2.95 -0.65 0.00 0.00 174.74 170.37 2j95 h ASN 92 N 6.43 0.00 -0.07 9.88 7.08 -1.93 -2.64 115.58 134.34 2j95 h ASN 92 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 2j95 h ASN 92 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2j95 h ASN 92 CO 0.86 0.28 0.00 0.54 -2.08 0.00 0.00 177.43 177.03 2j95 n ARG 93 N -3.67 1.28 -1.68 4.14 1.74 -1.26 -4.92 116.66 112.29 2j95 n ARG 93 Ca -0.01 -0.42 -0.39 0.00 -0.77 0.00 0.00 57.85 56.26 2j95 n ARG 93 Cb 0.40 -1.32 0.04 0.00 -1.02 0.00 0.00 32.46 30.56 2j95 n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2j95 n PHE 94 N -0.35 1.66 -3.69 -1.55 7.35 -1.00 -4.70 117.46 115.18 2j95 n PHE 94 Ca 0.14 0.45 -0.11 0.00 -0.76 0.00 0.00 57.45 57.18 2j95 n PHE 94 Cb 0.16 -2.27 -0.11 0.00 0.35 0.00 0.00 39.48 37.61 2j95 n PHE 94 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2j95 s THR 95 N -1.35 -0.20 -0.09 -2.13 -1.32 -1.11 -5.02 115.64 104.43 2j95 s THR 95 Ca 0.71 0.14 0.29 0.00 -1.21 0.00 0.00 61.69 61.63 2j95 s THR 95 Cb -0.44 -0.56 0.31 0.00 -1.51 0.00 0.00 72.50 70.31 2j95 s THR 95 CO 0.50 0.06 1.88 0.11 -2.21 0.00 0.00 174.62 174.96 2j95 h LYS 96 N 7.49 0.00 -0.65 7.08 1.57 -1.96 0.86 116.57 130.96 2j95 h LYS 96 Ca -0.31 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2j95 h LYS 96 Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2j95 h LYS 96 CO 0.26 0.00 0.10 0.93 -0.57 0.00 0.00 179.45 180.17 2j95 h GLU 97 N 0.00 1.08 0.00 3.15 4.39 -1.98 -3.36 114.58 117.86 2j95 h GLU 97 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2j95 h GLU 97 Cb 0.28 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2j95 h GLU 97 CO 0.00 0.99 -0.38 0.25 -1.16 0.00 0.00 179.01 178.72 2j95 n THR 98 N -4.24 0.00 -1.71 1.13 -2.24 -1.18 -5.02 114.28 101.02 2j95 n THR 98 Ca 0.04 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2j95 n THR 98 Cb 0.29 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 2j95 n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2j95 n TYR 99 N -0.94 -0.22 -2.30 4.78 0.53 0.29 -4.98 117.16 114.32 2j95 n TYR 99 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.51 2j95 n TYR 99 Cb 0.00 -2.09 -0.01 0.00 -1.03 0.00 0.00 39.34 36.21 2j95 n TYR 99 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2j95 s ASP 100 N -2.74 6.15 -1.33 7.72 2.15 -1.22 -3.27 116.67 124.13 2j95 s ASP 100 Ca 0.00 2.24 -0.04 0.00 0.43 0.00 0.00 52.55 55.18 2j95 s ASP 100 Cb 0.00 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2j95 s ASP 100 CO 0.00 -0.93 0.93 0.49 -0.17 0.00 0.00 175.17 175.49 2j95 n PHE 101 N -0.61 -2.24 -2.86 -5.34 3.01 -1.26 -2.73 117.46 105.42 2j95 n PHE 101 Ca 0.08 0.91 -0.44 0.00 1.01 0.00 0.00 57.45 59.02 2j95 n PHE 101 Cb 0.49 -4.64 -0.00 0.00 -0.01 0.00 0.00 39.48 35.32 2j95 n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2j95 s ASP 102 N -3.99 7.00 -0.22 4.37 2.15 -1.20 -4.19 116.67 120.59 2j95 s ASP 102 Ca 0.23 -2.82 -0.17 0.00 0.43 0.00 0.00 52.55 50.22 2j95 s ASP 102 Cb -0.11 -2.44 0.06 0.00 -0.30 0.00 0.00 42.92 40.13 2j95 s ASP 102 CO 0.78 -0.86 0.57 -0.51 -0.17 0.00 0.00 175.17 174.97 2j95 s ILE 103 N 2.26 -0.00 0.03 4.11 2.07 -1.26 -4.18 121.20 124.22 2j95 s ILE 103 Ca 0.45 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.61 2j95 s ILE 103 Cb -0.01 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.78 2j95 s ILE 103 CO 0.01 0.01 0.19 0.00 -1.91 0.00 0.00 174.94 173.24 2j95 s ALA 104 N 0.74 -0.39 -0.05 1.50 0.00 -0.52 -2.27 121.76 120.77 2j95 s ALA 104 Ca -0.03 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.78 2j95 s ALA 104 Cb -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2j95 s ALA 104 CO -0.05 -0.32 -0.21 0.08 0.00 0.00 0.00 175.76 175.26 2j95 s VAL 105 N -2.18 1.77 -0.17 0.00 1.01 0.23 -0.63 120.40 120.44 2j95 s VAL 105 Ca -0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2j95 s VAL 105 Cb -0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2j95 s VAL 105 CO -0.02 0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 2j95 s LEU 106 N -0.07 3.23 -0.21 3.92 1.43 0.16 -0.48 118.68 126.67 2j95 s LEU 106 Ca -0.04 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2j95 s LEU 106 Cb -0.13 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2j95 s LEU 106 CO 0.03 0.14 0.18 -0.60 0.23 0.00 0.00 176.35 176.33 2j95 s ARG 107 N 0.54 4.16 0.30 1.70 3.52 -0.37 -1.70 118.95 127.11 2j95 s ARG 107 Ca -0.03 -0.16 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 2j95 s ARG 107 Cb -0.14 -3.47 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 2j95 s ARG 107 CO 0.03 0.19 0.65 -0.51 -0.81 0.00 0.00 175.30 174.85 2j95 s LEU 108 N 0.66 4.04 0.17 -0.88 1.43 -0.19 0.04 118.68 123.95 2j95 s LEU 108 Ca 0.10 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.13 2j95 s LEU 108 Cb -0.12 -3.84 0.04 0.00 0.03 0.00 0.00 46.19 42.29 2j95 s LEU 108 CO 0.02 -0.20 1.61 0.11 0.23 0.00 0.00 176.35 178.11 2j95 h LYS 109 N 2.03 1.00 -6.63 1.70 1.57 -1.35 -3.42 116.57 111.47 2j95 h LYS 109 Ca -0.47 -0.34 -0.66 0.00 -1.87 0.00 0.00 60.65 57.31 2j95 h LYS 109 Cb 1.18 -0.08 -0.24 0.00 0.08 0.00 0.00 32.23 33.17 2j95 h LYS 109 CO 0.66 1.02 -0.86 0.95 -0.57 0.00 0.00 179.45 180.65 2j95 s THR 110 N -4.95 2.06 0.46 -0.16 -4.23 -1.26 -5.03 115.64 102.53 2j95 s THR 110 Ca -0.12 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 58.64 2j95 s THR 110 Cb 0.13 -1.81 -0.08 0.00 1.34 0.00 0.00 72.50 72.08 2j95 s THR 110 CO 0.85 0.17 1.06 -2.16 -0.54 0.00 0.00 174.62 174.00 2j95 s PRO 111 N -1.67 3.87 0.11 3.99 0.04 -1.26 -4.88 135.00 135.19 2j95 s PRO 111 Ca 0.11 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2j95 s PRO 111 Cb -0.10 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 2j95 s PRO 111 CO 0.04 -0.39 1.13 0.42 0.04 0.00 0.00 177.00 178.24 2j95 s ILE 112 N -1.83 4.06 -0.41 0.56 1.01 0.66 -5.01 121.20 120.24 2j95 s ILE 112 Ca 0.65 1.60 -0.19 0.00 0.00 0.00 0.00 60.65 62.70 2j95 s ILE 112 Cb -0.20 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2j95 s ILE 112 CO 0.24 0.19 0.56 -0.89 0.00 0.00 0.00 174.94 175.04 2j95 s THR 113 N 0.47 4.94 0.53 2.92 2.01 -1.26 -4.76 115.64 120.48 2j95 s THR 113 Ca 0.54 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 2j95 s THR 113 Cb -0.28 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2j95 s THR 113 CO 0.32 -0.45 1.23 -0.36 -0.69 0.00 0.00 174.62 174.67 2j95 s PHE 114 N 2.55 2.53 0.00 4.92 0.08 -1.26 -4.96 117.98 121.84 2j95 s PHE 114 Ca 0.19 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2j95 s PHE 114 Cb -0.15 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 2j95 s PHE 114 CO 0.16 -2.15 0.00 2.89 -0.10 0.00 0.00 175.22 176.02 2j95 n ARG 115 N -1.04 0.00 -1.71 0.44 1.85 -0.62 -5.01 116.66 110.57 2j95 n ARG 115 Ca 0.10 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.52 2j95 n ARG 115 Cb 0.48 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.87 2j95 n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2j95 n MET 116 N 0.00 2.31 -1.05 2.89 0.00 -1.26 -1.20 117.12 118.82 2j95 n MET 116 Ca 0.00 0.82 -0.02 0.00 -0.00 0.00 0.00 57.70 58.50 2j95 n MET 116 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 33.22 30.71 2j95 n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2j95 n ASN 117 N 1.70 -5.38 -3.49 6.12 3.02 -1.26 -4.95 115.26 111.01 2j95 n ASN 117 Ca 0.08 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.43 2j95 n ASN 117 Cb 0.35 -3.02 -0.13 0.00 -0.61 0.00 0.00 39.78 36.36 2j95 n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j95 s VAL 118 N -1.33 -0.20 0.09 2.41 1.01 -0.34 -3.79 120.40 118.25 2j95 s VAL 118 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2j95 s VAL 118 Cb 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.48 2j95 s VAL 118 CO 0.00 -0.60 0.52 0.00 0.00 0.00 0.00 175.10 175.03 2j95 s ALA 119 N 2.21 -1.34 0.49 5.51 0.00 -0.79 -1.59 121.76 126.24 2j95 s ALA 119 Ca 0.09 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 2j95 s ALA 119 Cb -0.15 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 2j95 s ALA 119 CO -0.34 -0.60 0.85 -1.25 0.00 0.00 0.00 175.76 174.43 2j95 s PRO 120 N -3.01 3.67 0.30 0.00 0.04 -1.26 -2.53 135.00 132.21 2j95 s PRO 120 Ca -0.02 0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.40 2j95 s PRO 120 Cb -0.00 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 2j95 s PRO 120 CO -0.06 -0.24 0.63 0.00 0.04 0.00 0.00 177.00 177.37 2j95 s ALA 121 N -2.71 3.50 0.23 8.56 0.00 -0.78 -4.86 121.76 125.70 2j95 s ALA 121 Ca 0.51 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 2j95 s ALA 121 Cb -0.10 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 2j95 s ALA 121 CO 0.41 0.27 0.83 0.00 0.00 0.00 0.00 175.76 177.27 2j95 s LEU 123 N -1.54 4.27 0.74 0.00 1.43 -1.26 -0.58 118.68 121.73 2j95 s LEU 123 Ca 0.42 1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2j95 s LEU 123 Cb -0.21 -2.95 0.12 0.00 0.03 0.00 0.00 46.19 43.18 2j95 s LEU 123 CO 0.26 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.58 2j95 s PRO 124 N 0.99 1.67 0.23 1.29 0.04 -1.26 -4.98 135.00 132.97 2j95 s PRO 124 Ca 0.33 -0.87 -0.19 0.00 0.04 0.00 0.00 61.00 60.31 2j95 s PRO 124 Cb -0.17 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 2j95 s PRO 124 CO 0.14 -1.50 0.72 -1.21 0.04 0.00 0.00 177.00 175.20 2j95 s GLU 124 N -5.23 4.23 0.07 4.56 2.02 -1.26 -5.00 118.70 118.09 2j95 s GLU 124 Ca 0.66 0.85 -0.32 0.00 0.02 0.00 0.00 54.97 56.18 2j95 s GLU 124 Cb -0.06 -2.84 -0.16 0.00 0.10 0.00 0.00 34.13 31.17 2j95 s GLU 124 CO 0.45 0.38 1.49 -0.09 0.02 0.00 0.00 175.26 177.51 2j95 h ARG 125 N 3.33 -0.89 -0.22 1.61 2.43 -1.99 -1.50 114.38 117.15 2j95 h ARG 125 Ca -0.48 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 2j95 h ARG 125 Cb 1.19 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 2j95 h ARG 125 CO 0.65 -0.60 0.08 -0.44 -1.51 0.00 0.00 179.97 178.16 2j95 h ASP 126 N -0.93 0.10 -0.59 -3.80 3.32 -1.96 -1.90 116.42 110.67 2j95 h ASP 126 Ca -0.06 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2j95 h ASP 126 Cb 0.79 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2j95 h ASP 126 CO -0.02 0.09 0.37 -0.25 -1.72 0.00 0.00 179.24 177.71 2j95 h TRP 127 N 0.19 0.70 -0.82 4.55 7.01 -1.99 -2.00 115.95 123.59 2j95 h TRP 127 Ca 0.09 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.13 2j95 h TRP 127 Cb 0.05 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 2j95 h TRP 127 CO -0.11 0.42 0.54 0.00 -2.79 0.00 0.00 178.44 176.49 2j95 h ALA 128 N 1.24 1.06 -0.40 2.65 0.00 -0.96 -0.39 119.26 122.46 2j95 h ALA 128 Ca 0.23 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2j95 h ALA 128 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2j95 h ALA 128 CO -0.08 0.41 -0.30 0.93 0.00 0.00 0.00 179.25 180.21 2j95 h GLU 129 N 1.08 0.92 0.00 0.00 5.08 -1.15 0.22 114.58 120.73 2j95 h GLU 129 Ca 0.31 -0.45 -0.22 0.00 -1.00 0.00 0.00 59.36 58.00 2j95 h GLU 129 Cb -0.07 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2j95 h GLU 129 CO -0.09 1.10 -1.22 0.66 -1.00 0.00 0.00 179.01 178.47 2j95 h SER 130 N 0.74 0.00 0.00 1.42 4.64 -1.30 -3.38 113.55 115.67 2j95 h SER 130 Ca 0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 2j95 h SER 130 Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 2j95 h SER 130 CO 0.08 0.92 -1.58 0.41 -0.87 0.00 0.00 176.83 175.79 2j95 n THR 131 N -3.20 0.58 -0.08 2.95 -1.04 -0.16 -4.44 114.28 108.89 2j95 n THR 131 Ca -0.06 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.05 61.55 2j95 n THR 131 Cb 0.95 -0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 68.48 2j95 n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2j95 h LEU 131 N 0.00 0.01 0.00 -4.42 3.38 -1.09 -3.35 115.31 109.85 2j95 h LEU 131 Ca -0.23 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.87 2j95 h LEU 131 Cb 1.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2j95 h LEU 131 CO -0.03 1.14 0.00 0.23 0.09 0.00 0.00 178.44 179.87 2j95 n MET 131 N -4.55 0.66 -0.12 1.13 2.81 0.59 -1.55 117.12 116.08 2j95 n MET 131 Ca -0.16 0.01 0.09 0.00 -1.81 0.00 0.00 57.70 55.84 2j95 n MET 131 Cb 0.54 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.70 2j95 n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2j95 n THR 132 N -1.06 0.43 -1.38 2.03 -2.24 -1.26 -4.98 114.28 105.83 2j95 n THR 132 Ca 0.16 -0.72 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 2j95 n THR 132 Cb 0.10 0.99 0.13 0.00 -2.10 0.00 0.00 70.33 69.45 2j95 n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2j95 s GLN 133 N -1.27 1.38 0.16 -0.78 -1.52 -0.60 -4.97 119.66 112.05 2j95 s GLN 133 Ca 0.28 0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 54.19 2j95 s GLN 133 Cb 0.17 -1.84 0.02 0.00 -0.22 0.00 0.00 33.01 31.14 2j95 s GLN 133 CO 0.23 -2.11 1.58 0.87 -0.25 0.00 0.00 175.29 175.62 2j95 h LYS 134 N -1.44 0.95 -4.26 2.91 1.57 -1.94 -3.43 116.57 110.94 2j95 h LYS 134 Ca -0.50 -0.35 -0.14 0.00 -1.87 0.00 0.00 60.65 57.79 2j95 h LYS 134 Cb 1.29 -0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 2j95 h LYS 134 CO 0.58 1.02 -0.61 0.95 -0.57 0.00 0.00 179.45 180.82 2j95 s THR 135 N -4.86 0.15 0.45 -0.16 -4.23 -1.26 -2.26 115.64 103.47 2j95 s THR 135 Ca -0.12 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2j95 s THR 135 Cb 0.12 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2j95 s THR 135 CO 0.85 -0.67 0.05 -0.83 -0.54 0.00 0.00 174.62 173.48 2j95 s GLY 136 N -2.98 2.78 -0.08 3.99 0.00 -0.10 -4.76 107.32 106.17 2j95 s GLY 136 Ca 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.96 2j95 s GLY 136 CO -0.04 -2.03 -0.19 -0.42 0.00 0.00 0.00 173.10 170.42 2j95 s ILE 137 N -3.01 1.63 0.11 0.90 1.01 0.89 -0.46 121.20 122.28 2j95 s ILE 137 Ca 0.16 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2j95 s ILE 137 Cb 0.03 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2j95 s ILE 137 CO 0.09 0.47 -0.12 0.54 0.00 0.00 0.00 174.94 175.92 2j95 s VAL 138 N 0.46 3.25 0.06 2.92 0.11 -0.44 -1.11 120.40 125.64 2j95 s VAL 138 Ca -0.16 -1.33 -0.09 0.00 -2.93 0.00 0.00 61.98 57.46 2j95 s VAL 138 Cb -0.17 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 2j95 s VAL 138 CO 0.06 0.10 0.20 -0.94 -3.33 0.00 0.00 175.10 171.19 2j95 s SER 139 N -2.22 0.06 0.00 3.54 1.04 -1.13 -1.11 113.70 113.88 2j95 s SER 139 Ca 0.21 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.17 2j95 s SER 139 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2j95 s SER 139 CO 0.13 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2j95 n GLY 140 N 0.39 -0.10 1.45 7.32 0.00 -0.02 -4.35 105.19 109.87 2j95 n GLY 140 Ca -0.17 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 44.83 2j95 n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2j95 n PHE 141 N -0.54 1.41 -1.00 1.61 3.72 -1.26 -1.57 117.46 119.83 2j95 n PHE 141 Ca 0.00 -0.65 -0.11 0.00 -0.05 0.00 0.00 57.45 56.64 2j95 n PHE 141 Cb 0.00 -0.27 0.08 0.00 -0.94 0.00 0.00 39.48 38.35 2j95 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j95 n GLY 142 N 0.78 -1.95 3.62 1.37 0.00 -1.26 -1.83 105.19 105.91 2j95 n GLY 142 Ca 0.24 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2j95 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j95 n ARG 143 N -2.39 1.37 0.00 1.61 1.74 -0.11 -2.35 116.66 116.54 2j95 n ARG 143 Ca 0.06 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.76 2j95 n ARG 143 Cb 0.21 -2.07 0.37 0.00 -1.02 0.00 0.00 32.46 29.95 2j95 n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2j95 n THR 144 N -0.52 0.00 -3.58 0.55 -2.24 -1.12 -1.10 114.28 106.27 2j95 n THR 144 Ca 0.09 -0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 2j95 n THR 144 Cb 0.39 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 2j95 n THR 144 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2j95 s HIS 145 N -2.52 -0.22 0.31 4.78 0.00 -1.26 -4.44 115.29 111.94 2j95 s HIS 145 Ca 0.24 0.27 0.07 0.00 -3.00 0.00 0.00 55.06 52.64 2j95 s HIS 145 Cb 0.19 0.49 0.89 0.00 -4.00 0.00 0.00 32.58 30.16 2j95 s HIS 145 CO 0.53 -0.27 1.63 1.49 -1.00 0.00 0.00 174.74 177.12 2j95 h GLU 147 N 2.18 0.17 -0.30 -0.38 4.81 -1.91 -0.65 114.58 118.50 2j95 h GLU 147 Ca -0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2j95 h GLU 147 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2j95 h GLU 147 CO 0.26 0.11 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 2j95 n LYS 148 N -5.23 2.96 -0.76 1.92 5.02 -1.26 -4.97 118.16 115.84 2j95 n LYS 148 Ca 0.26 -2.58 -0.03 0.00 -2.02 0.00 0.00 58.31 53.94 2j95 n LYS 148 Cb 0.85 -1.66 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 2j95 n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j95 n GLY 149 N -0.12 0.53 3.99 0.72 0.00 -0.25 -5.12 105.19 104.94 2j95 n GLY 149 Ca 0.18 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 2j95 n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j95 s ARG 150 N -2.75 2.63 0.65 1.61 3.52 -1.26 -4.84 118.95 118.52 2j95 s ARG 150 Ca 0.07 -0.99 -0.15 0.00 -0.13 0.00 0.00 55.73 54.53 2j95 s ARG 150 Cb -0.00 -2.60 -0.00 0.00 -1.56 0.00 0.00 34.95 30.79 2j95 s ARG 150 CO 0.05 -0.56 1.11 -0.65 -0.81 0.00 0.00 175.30 174.44 2j95 s GLN 151 N -4.60 2.82 0.24 5.12 -0.21 -1.26 -2.81 119.66 118.96 2j95 s GLN 151 Ca 0.57 1.40 -0.30 0.00 0.02 0.00 0.00 55.36 57.05 2j95 s GLN 151 Cb -0.10 -1.95 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 2j95 s GLN 151 CO 0.36 -1.24 0.97 0.45 -2.12 0.00 0.00 175.29 173.71 2j95 s SER 152 N -2.55 7.58 0.00 5.90 0.15 -0.76 -4.86 113.70 119.16 2j95 s SER 152 Ca 0.67 2.00 0.26 0.00 0.70 0.00 0.00 55.95 59.58 2j95 s SER 152 Cb -0.21 -2.61 0.64 0.00 -1.71 0.00 0.00 66.02 62.13 2j95 s SER 152 CO 0.41 0.10 1.49 0.35 1.20 0.00 0.00 173.24 176.80 2j95 n THR 153 N 1.48 0.00 -4.91 6.45 -2.24 -1.26 -4.76 114.28 109.03 2j95 n THR 153 Ca -0.02 -0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 2j95 n THR 153 Cb 0.47 0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 2j95 n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2j95 s ARG 154 N -2.71 2.68 0.08 -0.78 1.81 -1.26 -0.99 118.95 117.78 2j95 s ARG 154 Ca 0.19 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 53.17 2j95 s ARG 154 Cb 0.18 -2.40 -0.08 0.00 -0.45 0.00 0.00 34.95 32.20 2j95 s ARG 154 CO 0.60 0.52 1.59 -1.17 -0.68 0.00 0.00 175.30 176.15 2j95 s LEU 155 N -0.46 4.36 0.22 2.53 2.96 -0.25 -4.69 118.68 123.35 2j95 s LEU 155 Ca 0.06 2.45 0.10 0.00 -0.22 0.00 0.00 54.13 56.52 2j95 s LEU 155 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2j95 s LEU 155 CO 0.02 -0.84 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.53 2j95 s LYS 156 N 2.24 1.89 0.15 1.98 1.02 -0.61 -1.27 119.74 125.13 2j95 s LYS 156 Ca 0.71 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 55.28 2j95 s LYS 156 Cb -0.39 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 2j95 s LYS 156 CO 0.31 0.39 -0.09 0.00 -0.92 0.00 0.00 175.35 175.04 2j95 s MET 157 N -3.07 1.07 -0.21 1.68 0.23 -0.05 -0.84 119.30 118.10 2j95 s MET 157 Ca 0.26 -1.46 -0.12 0.00 -1.03 0.00 0.00 55.69 53.34 2j95 s MET 157 Cb -0.07 -0.59 0.07 0.00 -1.53 0.00 0.00 34.83 32.70 2j95 s MET 157 CO 0.15 0.05 0.52 -1.17 -2.03 0.00 0.00 175.02 172.54 2j95 s LEU 158 N -3.17 -0.42 -0.03 0.18 2.96 -0.27 -1.17 118.68 116.76 2j95 s LEU 158 Ca 0.17 1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 2j95 s LEU 158 Cb 0.03 1.76 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 2j95 s LEU 158 CO 0.01 -0.21 1.23 -1.61 -1.32 0.00 0.00 176.35 174.45 2j95 s GLU 159 N 1.46 4.35 -0.12 1.98 2.02 -1.26 -1.33 118.70 125.80 2j95 s GLU 159 Ca -0.09 1.73 0.02 0.00 0.02 0.00 0.00 54.97 56.65 2j95 s GLU 159 Cb -0.07 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.64 2j95 s GLU 159 CO -0.15 -0.44 -0.17 0.14 0.02 0.00 0.00 175.26 174.65 2j95 s VAL 160 N 2.10 1.67 0.46 2.63 -7.23 0.39 -4.97 120.40 115.45 2j95 s VAL 160 Ca 0.57 -0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 59.76 2j95 s VAL 160 Cb -0.26 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 2j95 s VAL 160 CO 0.24 0.47 1.23 -2.84 -0.31 0.00 0.00 175.10 173.89 2j95 s PRO 161 N 0.94 3.71 0.34 4.82 0.02 -1.26 -0.92 135.00 142.65 2j95 s PRO 161 Ca -0.07 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 2j95 s PRO 161 Cb -0.15 -2.48 -0.10 0.00 0.02 0.00 0.00 34.50 31.80 2j95 s PRO 161 CO -0.02 -0.64 1.23 0.71 -0.33 0.00 0.00 177.00 177.96 2j95 s TYR 162 N -1.43 3.15 -0.12 6.54 2.02 -0.96 -1.04 117.35 125.51 2j95 s TYR 162 Ca 0.63 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.83 2j95 s TYR 162 Cb -0.33 -3.53 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2j95 s TYR 162 CO 0.40 -1.47 -0.07 0.08 -1.57 0.00 0.00 175.55 172.92 2j95 s VAL 163 N -1.22 3.60 0.08 0.71 1.01 -0.87 -4.86 120.40 118.85 2j95 s VAL 163 Ca 0.50 -0.48 -0.37 0.00 0.00 0.00 0.00 61.98 61.64 2j95 s VAL 163 Cb -0.36 -2.53 -0.16 0.00 0.00 0.00 0.00 36.38 33.33 2j95 s VAL 163 CO 0.47 0.53 1.37 -0.67 0.00 0.00 0.00 175.10 176.80 2j95 n ASP 164 N 3.15 1.77 -0.35 3.32 2.03 -1.26 -4.61 116.55 120.61 2j95 n ASP 164 Ca -0.18 1.11 -0.00 0.00 0.52 0.00 0.00 54.79 56.25 2j95 n ASP 164 Cb 0.53 -1.21 0.15 0.00 -0.72 0.00 0.00 41.12 39.87 2j95 n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2j95 h ARG 165 N 4.74 1.22 0.22 -0.67 2.43 -1.97 -1.42 114.38 118.93 2j95 h ARG 165 Ca -0.47 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2j95 h ARG 165 Cb 1.33 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2j95 h ARG 165 CO 0.79 0.81 -0.11 -0.97 -1.51 0.00 0.00 179.97 178.98 2j95 h ASN 166 N 1.26 -0.25 -0.87 -3.80 -1.24 -2.00 -1.82 115.58 106.86 2j95 h ASN 166 Ca 0.37 -0.11 0.12 0.00 0.71 0.00 0.00 56.30 57.39 2j95 h ASN 166 Cb -0.06 0.07 -0.08 0.00 0.73 0.00 0.00 38.32 38.97 2j95 h ASN 166 CO -0.10 -0.05 0.50 0.28 -1.29 0.00 0.00 177.43 176.77 2j95 h SER 167 N -0.46 0.68 -0.45 1.15 0.02 -1.87 -1.03 113.55 111.60 2j95 h SER 167 Ca -0.03 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2j95 h SER 167 Cb 0.35 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2j95 h SER 167 CO 0.05 0.35 0.22 0.00 -1.14 0.00 0.00 176.83 176.31 2j95 h LYS 169 N 0.59 0.74 -0.71 0.00 1.57 -0.39 -2.45 116.57 115.91 2j95 h LYS 169 Ca 0.16 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2j95 h LYS 169 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2j95 h LYS 169 CO -0.02 0.72 0.18 -0.07 -0.57 0.00 0.00 179.45 179.69 2j95 h LEU 170 N 0.71 1.07 -1.12 2.94 3.38 -0.94 -3.05 115.31 118.29 2j95 h LEU 170 Ca 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2j95 h LEU 170 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2j95 h LEU 170 CO 0.01 1.02 -0.13 0.77 0.09 0.00 0.00 178.44 180.20 2j95 h SER 171 N 1.08 0.00 -3.11 -0.43 4.64 -0.87 -3.46 113.55 111.40 2j95 h SER 171 Ca 0.22 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.95 2j95 h SER 171 Cb 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 2j95 h SER 171 CO 0.00 0.13 -0.15 -0.55 -0.87 0.00 0.00 176.83 175.39 2j95 s SER 172 N -6.01 6.87 0.00 4.97 0.15 -1.00 -4.85 113.70 113.83 2j95 s SER 172 Ca 0.01 1.03 0.27 0.00 0.70 0.00 0.00 55.95 57.97 2j95 s SER 172 Cb 0.09 -2.29 0.92 0.00 -1.71 0.00 0.00 66.02 63.04 2j95 s SER 172 CO 0.61 0.28 1.67 -1.20 1.20 0.00 0.00 173.24 175.79 2j95 n SER 173 N 2.00 0.93 -4.16 5.45 7.64 -1.26 -4.85 113.62 119.37 2j95 n SER 173 Ca -0.12 -0.88 -0.20 0.00 1.01 0.00 0.00 58.87 58.67 2j95 n SER 173 Cb 0.52 0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 2j95 n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2j95 s PHE 174 N -2.43 1.27 0.20 1.43 0.40 -1.26 -5.12 117.98 112.46 2j95 s PHE 174 Ca 0.27 -0.37 -0.33 0.00 -0.60 0.00 0.00 56.93 55.90 2j95 s PHE 174 Cb 0.20 -0.74 -0.13 0.00 0.51 0.00 0.00 43.02 42.85 2j95 s PHE 174 CO 0.48 0.05 1.60 1.51 0.70 0.00 0.00 175.22 179.56 2j95 n ILE 175 N 1.77 0.21 -3.49 0.64 3.06 -1.26 -4.98 119.36 115.32 2j95 n ILE 175 Ca -0.19 -0.05 -0.42 0.00 -2.50 0.00 0.00 62.75 59.59 2j95 n ILE 175 Cb 0.54 -1.69 -0.08 0.00 0.54 0.00 0.00 39.64 38.95 2j95 n ILE 175 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2j95 s ILE 176 N 0.78 4.71 0.89 9.51 -1.09 -1.26 -5.05 121.20 129.69 2j95 s ILE 176 Ca 0.75 -1.32 -0.14 0.00 -2.23 0.00 0.00 60.65 57.71 2j95 s ILE 176 Cb -0.61 -3.89 0.14 0.00 -1.58 0.00 0.00 42.46 36.51 2j95 s ILE 176 CO 0.39 -0.60 1.22 0.42 -1.23 0.00 0.00 174.94 175.14 2j95 s THR 177 N 1.52 1.99 -0.54 2.92 -4.23 -1.26 -4.94 115.64 111.09 2j95 s THR 177 Ca 0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2j95 s THR 177 Cb -0.25 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.81 2j95 s THR 177 CO 0.04 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.65 2j95 n GLN 178 N -3.58 0.11 -0.61 3.99 0.00 -1.26 -2.32 117.38 113.72 2j95 n GLN 178 Ca 0.11 0.49 0.08 0.00 0.00 0.00 0.00 57.00 57.67 2j95 n GLN 178 Cb 0.60 -1.79 0.33 0.00 0.00 0.00 0.00 30.24 29.38 2j95 n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2j95 n ASN 179 N -2.01 4.49 -4.09 2.61 3.02 -1.26 -4.93 115.26 113.09 2j95 n ASN 179 Ca 0.01 -2.50 -0.08 0.00 -0.03 0.00 0.00 54.58 51.98 2j95 n ASN 179 Cb 0.11 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 2j95 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2j95 s MET 180 N -2.00 0.60 0.14 3.52 -1.94 -0.98 -1.18 119.30 117.47 2j95 s MET 180 Ca 0.46 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 53.20 2j95 s MET 180 Cb 0.31 0.12 -0.00 0.00 2.01 0.00 0.00 34.83 37.26 2j95 s MET 180 CO 0.20 -0.08 0.27 -0.59 -0.01 0.00 0.00 175.02 174.81 2j95 s PHE 181 N -3.49 0.28 0.10 -0.03 -0.12 -0.70 -4.79 117.98 109.23 2j95 s PHE 181 Ca 0.04 -0.66 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 2j95 s PHE 181 Cb 0.05 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2j95 s PHE 181 CO -0.08 -0.68 -0.17 0.00 -0.05 0.00 0.00 175.22 174.24 2j95 s ALA 183 N -1.12 -1.09 0.00 0.00 0.00 -0.71 -2.05 121.76 116.79 2j95 s ALA 183 Ca 0.18 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2j95 s ALA 183 Cb -0.11 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2j95 s ALA 183 CO 0.10 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2j95 n GLY 184 N 0.68 0.35 3.16 0.00 0.00 -0.20 -1.76 105.19 107.41 2j95 n GLY 184 Ca -0.19 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 2j95 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j95 s TYR 185 N -1.38 1.22 0.02 1.61 2.02 -1.26 -4.09 117.35 115.49 2j95 s TYR 185 Ca 0.00 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 2j95 s TYR 185 Cb 0.00 -0.70 -0.13 0.00 -0.40 0.00 0.00 41.96 40.73 2j95 s TYR 185 CO 0.00 0.05 1.19 0.22 -1.57 0.00 0.00 175.55 175.43 2j95 h ASP 185 N 4.64 -0.69 0.00 2.29 3.58 -1.93 -3.43 116.42 120.88 2j95 h ASP 185 Ca -0.39 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2j95 h ASP 185 Cb 1.19 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.41 2j95 h ASP 185 CO 0.42 -0.44 -1.04 0.35 -2.88 0.00 0.00 179.24 175.65 2j95 n THR 185 N -4.50 0.04 -1.53 2.25 -2.24 -1.26 -1.58 114.28 105.47 2j95 n THR 185 Ca -0.10 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2j95 n THR 185 Cb 0.32 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2j95 n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2j95 n LYS 186 N -1.97 0.94 -1.85 -0.78 4.81 -1.26 -4.83 118.16 113.24 2j95 n LYS 186 Ca -0.01 0.34 -0.40 0.00 -0.87 0.00 0.00 58.31 57.37 2j95 n LYS 186 Cb 0.46 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 2j95 n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2j95 n GLN 187 N 0.47 4.07 -3.71 1.64 1.13 -1.26 -4.82 117.38 114.90 2j95 n GLN 187 Ca 0.11 -3.07 -0.15 0.00 -1.94 0.00 0.00 57.00 51.95 2j95 n GLN 187 Cb 0.37 -2.77 -0.15 0.00 0.11 0.00 0.00 30.24 27.80 2j95 n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2j95 s GLU 188 N 0.31 0.08 0.15 -1.09 2.02 -1.26 -4.23 118.70 114.68 2j95 s GLU 188 Ca 0.55 0.46 -0.25 0.00 0.02 0.00 0.00 54.97 55.76 2j95 s GLU 188 Cb 0.17 -0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.25 2j95 s GLU 188 CO -0.07 -0.22 0.88 0.34 0.02 0.00 0.00 175.26 176.21 2j95 s ASP 189 N 1.64 -0.24 1.02 -0.19 2.15 -0.85 -4.43 116.67 115.77 2j95 s ASP 189 Ca -0.04 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.41 2j95 s ASP 189 Cb -0.12 0.52 0.22 0.00 -0.30 0.00 0.00 42.92 43.25 2j95 s ASP 189 CO -0.06 -0.95 1.28 0.00 -0.17 0.00 0.00 175.17 175.28 2j95 s ALA 190 N -3.40 1.86 0.20 3.66 0.00 -1.26 0.28 121.76 123.09 2j95 s ALA 190 Ca 0.10 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 2j95 s ALA 190 Cb -0.02 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.34 2j95 s ALA 190 CO 0.01 -2.73 0.39 0.00 0.00 0.00 0.00 175.76 173.43 2j95 n GLN 192 N -0.27 2.26 0.00 0.00 7.27 -1.26 -2.10 117.38 123.28 2j95 n GLN 192 Ca -0.04 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.82 2j95 n GLN 192 Cb 0.29 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.43 2j95 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j95 n GLY 193 N 0.64 3.04 0.05 1.69 0.00 -1.26 -0.93 105.19 108.42 2j95 n GLY 193 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2j95 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j95 n ASP 194 N 0.14 0.47 -4.71 1.61 8.00 -0.89 -3.82 116.55 117.35 2j95 n ASP 194 Ca 0.00 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 2j95 n ASP 194 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2j95 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2j95 n SER 195 N -1.89 2.77 0.00 -2.24 7.64 -1.26 -1.83 113.62 116.81 2j95 n SER 195 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2j95 n SER 195 Cb 0.39 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2j95 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j95 n GLY 196 N 0.76 2.25 3.86 0.23 0.00 0.43 0.15 105.19 112.87 2j95 n GLY 196 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2j95 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j95 s GLY 197 N -1.93 1.70 0.23 -0.02 0.00 -0.76 -3.29 107.32 103.25 2j95 s GLY 197 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 2j95 s GLY 197 CO 0.00 -0.28 1.12 -4.14 0.00 0.00 0.00 173.10 169.80 2j95 s PRO 198 N -5.70 4.59 -0.19 2.90 0.02 -1.26 -2.11 135.00 133.25 2j95 s PRO 198 Ca 0.71 1.80 0.01 0.00 0.02 0.00 0.00 61.00 63.54 2j95 s PRO 198 Cb -0.07 -3.22 0.03 0.00 0.02 0.00 0.00 34.50 31.26 2j95 s PRO 198 CO 0.53 0.11 -0.14 -1.58 -0.33 0.00 0.00 177.00 175.59 2j95 s HIS 199 N -0.69 2.55 0.21 6.54 2.46 -0.94 -2.85 115.29 122.57 2j95 s HIS 199 Ca 0.48 -1.60 0.09 0.00 0.47 0.00 0.00 55.06 54.49 2j95 s HIS 199 Cb -0.32 -1.74 -0.05 0.00 -0.13 0.00 0.00 32.58 30.35 2j95 s HIS 199 CO 0.39 -0.76 -0.16 0.14 -2.47 0.00 0.00 174.74 171.87 2j95 s VAL 200 N 1.36 1.90 -0.08 0.89 -7.23 -0.27 -1.35 120.40 115.62 2j95 s VAL 200 Ca 0.01 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.02 2j95 s VAL 200 Cb -0.15 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2j95 s VAL 200 CO -0.10 -0.49 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.20 2j95 s THR 201 N -2.65 1.12 0.07 5.32 2.01 -0.44 -0.07 115.64 120.99 2j95 s THR 201 Ca 0.22 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2j95 s THR 201 Cb -0.03 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 2j95 s THR 201 CO 0.08 0.36 0.76 -0.60 -0.69 0.00 0.00 174.62 174.53 2j95 s ARG 202 N 0.94 4.50 -0.13 4.92 3.52 -1.26 -1.54 118.95 129.90 2j95 s ARG 202 Ca -0.09 1.07 -0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2j95 s ARG 202 Cb -0.15 -3.34 0.06 0.00 -1.56 0.00 0.00 34.95 29.97 2j95 s ARG 202 CO 0.00 0.36 0.17 0.12 -0.81 0.00 0.00 175.30 175.14 2j95 s PHE 203 N -0.34 -0.16 -1.31 5.12 5.36 0.20 -4.89 117.98 121.97 2j95 s PHE 203 Ca 0.37 0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 56.61 2j95 s PHE 203 Cb -0.21 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.13 2j95 s PHE 203 CO 0.23 -0.39 0.54 1.63 -1.46 0.00 0.00 175.22 175.77 2j95 n LYS 204 N 5.32 -1.94 -1.50 10.12 5.02 -1.26 -1.80 118.16 132.11 2j95 n LYS 204 Ca -0.05 0.34 -0.17 0.00 -2.02 0.00 0.00 58.31 56.40 2j95 n LYS 204 Cb 0.50 -4.00 -0.07 0.00 -0.02 0.00 0.00 35.03 31.44 2j95 n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2j95 n ASP 205 N -2.75 -5.51 -4.16 4.39 8.00 -1.26 -4.98 116.55 110.28 2j95 n ASP 205 Ca -0.21 0.43 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 2j95 n ASP 205 Cb 0.64 -4.53 -0.16 0.00 -0.02 0.00 0.00 41.12 37.05 2j95 n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j95 s THR 206 N -2.50 1.58 -0.25 -3.53 2.01 -0.74 -5.13 115.64 107.08 2j95 s THR 206 Ca 0.00 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2j95 s THR 206 Cb 0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2j95 s THR 206 CO 0.00 0.45 0.09 -0.31 -0.69 0.00 0.00 174.62 174.16 2j95 s TYR 207 N 0.06 3.12 -0.07 4.92 1.51 -1.26 -0.63 117.35 125.00 2j95 s TYR 207 Ca -0.06 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2j95 s TYR 207 Cb -0.13 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 2j95 s TYR 207 CO 0.03 -0.28 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.09 2j95 s PHE 208 N 1.53 3.00 0.03 2.71 0.08 -0.59 -2.51 117.98 122.24 2j95 s PHE 208 Ca 0.06 0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.88 2j95 s PHE 208 Cb -0.15 -1.74 -0.07 0.00 -0.57 0.00 0.00 43.02 40.49 2j95 s PHE 208 CO 0.05 0.37 1.61 0.08 -0.10 0.00 0.00 175.22 177.23 2j95 s VAL 209 N -0.82 3.26 0.00 -0.44 1.01 0.25 -1.32 120.40 122.34 2j95 s VAL 209 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2j95 s VAL 209 Cb -0.11 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2j95 s VAL 209 CO 0.02 -0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.45 2j95 n THR 210 N 4.86 0.00 -3.78 3.92 -2.24 -0.46 -4.53 114.28 112.06 2j95 n THR 210 Ca 0.16 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 2j95 n THR 210 Cb 0.41 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 2j95 n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j95 s GLY 211 N -1.29 -0.19 -0.09 3.38 0.00 -0.75 -3.36 107.32 105.01 2j95 s GLY 211 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.68 2j95 s GLY 211 CO 0.00 -0.02 -0.14 -0.42 0.00 0.00 0.00 173.10 172.52 2j95 s ILE 212 N -3.70 1.34 -0.09 0.90 1.01 -1.11 -2.22 121.20 117.34 2j95 s ILE 212 Ca 0.10 -0.57 -0.34 0.00 0.00 0.00 0.00 60.65 59.84 2j95 s ILE 212 Cb -0.04 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.09 2j95 s ILE 212 CO 0.03 0.41 1.90 0.52 0.00 0.00 0.00 174.94 177.80 2j95 n VAL 213 N 4.02 0.59 0.02 2.92 0.31 -0.90 -0.85 118.33 124.44 2j95 n VAL 213 Ca -0.20 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 2j95 n VAL 213 Cb 0.52 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2j95 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2j95 n SER 214 N 6.84 0.77 -3.36 4.52 2.88 -0.81 -0.42 113.62 124.04 2j95 n SER 214 Ca 0.23 0.10 -0.08 0.00 -1.33 0.00 0.00 58.87 57.79 2j95 n SER 214 Cb 0.30 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2j95 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2j95 s TRP 215 N -1.70 -0.00 0.03 0.66 1.48 -0.58 -4.91 118.94 113.92 2j95 s TRP 215 Ca -0.02 -0.57 -0.28 0.00 -1.06 0.00 0.00 56.10 54.17 2j95 s TRP 215 Cb 0.00 0.76 0.09 0.00 -1.16 0.00 0.00 33.47 33.17 2j95 s TRP 215 CO 0.03 -1.41 0.94 0.20 -4.06 0.00 0.00 176.95 172.65 2j95 s GLY 216 N -3.01 -0.39 -1.06 3.67 0.00 -1.26 -0.30 107.32 104.97 2j95 s GLY 216 Ca 0.14 0.79 -0.20 0.00 0.00 0.00 0.00 44.72 45.45 2j95 s GLY 216 CO 0.10 0.25 1.40 -0.54 0.00 0.00 0.00 173.10 174.30 2j95 s GLU 217 N -3.11 3.73 2.38 2.90 2.02 -1.26 -4.88 118.70 120.48 2j95 s GLU 217 Ca 0.07 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.41 2j95 s GLU 217 Cb -0.01 -5.22 0.00 0.00 0.10 0.00 0.00 34.13 29.01 2j95 s GLU 217 CO -0.06 -2.03 0.00 0.41 0.02 0.00 0.00 175.26 173.61 2j95 n GLY 219 N 5.85 -0.55 2.96 -1.39 0.00 -1.26 -4.66 105.19 106.13 2j95 n GLY 219 Ca 0.33 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2j95 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j95 n ALA 221 N 4.63 -0.38 -1.74 0.00 0.00 -1.26 -4.61 120.51 117.15 2j95 n ALA 221 Ca -0.16 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 2j95 n ALA 221 Cb 0.50 -1.91 0.02 0.00 0.00 0.00 0.00 19.45 18.06 2j95 n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j95 s ARG 222 N -4.05 3.18 0.30 0.00 0.52 -1.26 -4.82 118.95 112.81 2j95 s ARG 222 Ca 0.00 1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 56.58 2j95 s ARG 222 Cb 0.00 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.39 2j95 s ARG 222 CO 0.00 -1.00 1.38 0.15 0.02 0.00 0.00 175.30 175.85 2j95 s LYS 223 N -3.36 4.29 -0.01 3.54 1.02 -1.26 -2.25 119.74 121.70 2j95 s LYS 223 Ca 0.74 2.28 0.00 0.00 0.02 0.00 0.00 55.97 59.01 2j95 s LYS 223 Cb -0.26 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2j95 s LYS 223 CO 0.30 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 2j95 n GLY 223 N 1.41 0.28 3.30 -3.33 0.00 -0.61 -5.01 105.19 101.23 2j95 n GLY 223 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2j95 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j95 s LYS 224 N -0.94 1.27 0.30 1.61 -0.14 -0.96 -4.78 119.74 116.11 2j95 s LYS 224 Ca 0.00 -1.14 0.07 0.00 -1.36 0.00 0.00 55.97 53.54 2j95 s LYS 224 Cb 0.00 -1.55 -0.06 0.00 -1.68 0.00 0.00 37.83 34.54 2j95 s LYS 224 CO 0.00 0.37 -0.06 0.71 -0.76 0.00 0.00 175.35 175.61 2j95 s TYR 225 N -1.04 2.10 0.13 3.18 2.02 -1.26 -4.64 117.35 117.84 2j95 s TYR 225 Ca 0.08 -0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 55.86 2j95 s TYR 225 Cb -0.10 -1.22 -0.07 0.00 -0.40 0.00 0.00 41.96 40.18 2j95 s TYR 225 CO 0.04 0.36 0.86 0.20 -1.57 0.00 0.00 175.55 175.44 2j95 s GLY 226 N -3.50 2.95 -0.18 0.71 0.00 -0.72 -4.60 107.32 101.97 2j95 s GLY 226 Ca 0.31 0.45 -0.06 0.00 0.00 0.00 0.00 44.72 45.42 2j95 s GLY 226 CO 0.14 1.16 0.02 -0.42 0.00 0.00 0.00 173.10 173.99 2j95 s ILE 227 N -0.52 4.33 0.06 0.90 -1.09 0.59 -1.73 121.20 123.74 2j95 s ILE 227 Ca 0.41 -0.19 0.10 0.00 -2.23 0.00 0.00 60.65 58.73 2j95 s ILE 227 Cb -0.23 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2j95 s ILE 227 CO 0.27 0.46 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.87 2j95 s TYR 228 N 0.56 2.27 0.19 3.97 1.51 -0.26 -1.52 117.35 124.07 2j95 s TYR 228 Ca 0.01 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 2j95 s TYR 228 Cb -0.14 -1.33 -0.09 0.00 -0.11 0.00 0.00 41.96 40.30 2j95 s TYR 228 CO 0.02 0.17 1.34 0.99 -1.11 0.00 0.00 175.55 176.96 2j95 s THR 229 N -0.87 3.16 -0.91 -0.71 2.01 -0.03 -1.73 115.64 116.56 2j95 s THR 229 Ca 0.12 0.93 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 2j95 s THR 229 Cb -0.10 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.88 2j95 s THR 229 CO 0.03 0.13 1.32 -0.75 -0.69 0.00 0.00 174.62 174.65 2j95 s LYS 230 N 0.05 3.46 0.38 4.92 2.20 -0.33 -2.73 119.74 127.69 2j95 s LYS 230 Ca 0.58 -1.01 0.11 0.00 -0.36 0.00 0.00 55.97 55.29 2j95 s LYS 230 Cb -0.37 -4.93 0.89 0.00 -1.51 0.00 0.00 37.83 31.91 2j95 s LYS 230 CO 0.37 -2.09 1.89 0.28 -0.36 0.00 0.00 175.35 175.45 2j95 h VAL 231 N 6.39 0.83 0.00 4.02 2.07 -1.88 -2.11 116.25 125.57 2j95 h VAL 231 Ca 0.04 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2j95 h VAL 231 Cb 1.03 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2j95 h VAL 231 CO 1.32 0.11 -0.01 0.71 0.02 0.00 0.00 177.57 179.72 2j95 h THR 232 N 0.61 0.10 0.00 2.57 1.35 -1.90 0.20 112.91 115.83 2j95 h THR 232 Ca 0.42 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 2j95 h THR 232 Cb 0.74 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2j95 h THR 232 CO -0.17 0.01 -0.04 0.00 -0.25 0.00 0.00 175.52 175.07 2j95 n ALA 233 N -2.12 2.33 -0.65 6.62 0.00 -0.79 -3.93 120.51 121.96 2j95 n ALA 233 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2j95 n ALA 233 Cb 0.14 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 18.29 2j95 n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2j95 n PHE 234 N -2.24 0.38 -0.17 0.00 3.72 0.69 -4.79 117.46 115.05 2j95 n PHE 234 Ca 0.05 -0.76 -0.08 0.00 -0.05 0.00 0.00 57.45 56.61 2j95 n PHE 234 Cb 0.43 -0.16 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2j95 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2j95 h LEU 235 N 0.96 0.63 -0.77 4.37 3.38 -1.65 0.86 115.31 123.10 2j95 h LEU 235 Ca 0.00 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2j95 h LEU 235 Cb 0.98 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2j95 h LEU 235 CO 0.07 0.59 -0.17 0.11 0.09 0.00 0.00 178.44 179.12 2j95 h LYS 236 N 0.64 0.75 -0.16 1.13 1.57 -1.90 -0.93 116.57 117.67 2j95 h LYS 236 Ca 0.17 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2j95 h LYS 236 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2j95 h LYS 236 CO -0.02 0.87 0.06 2.35 -0.57 0.00 0.00 179.45 182.14 2j95 h TRP 237 N 0.66 0.26 -0.29 -1.35 7.01 -1.82 -1.23 115.95 119.19 2j95 h TRP 237 Ca 0.10 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.12 2j95 h TRP 237 Cb 0.66 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 2j95 h TRP 237 CO 0.03 0.34 0.04 0.82 -2.79 0.00 0.00 178.44 176.88 2j95 h ILE 238 N 0.10 0.84 -0.53 2.65 2.04 -0.76 -0.73 117.51 121.12 2j95 h ILE 238 Ca 0.05 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2j95 h ILE 238 Cb 0.20 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2j95 h ILE 238 CO -0.00 0.03 0.21 0.44 0.00 0.00 0.00 178.15 178.83 2j95 h ASP 239 N 0.14 0.24 -0.20 1.72 3.32 -0.90 -2.08 116.42 118.66 2j95 h ASP 239 Ca 0.14 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2j95 h ASP 239 Cb 0.16 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2j95 h ASP 239 CO -0.20 0.16 0.12 0.03 -1.72 0.00 0.00 179.24 177.64 2j95 h ARG 240 N 0.41 0.27 -0.54 3.56 3.08 -0.96 -2.74 114.38 117.45 2j95 h ARG 240 Ca 0.25 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.35 2j95 h ARG 240 Cb 0.26 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2j95 h ARG 240 CO -0.24 0.21 0.36 0.77 -1.07 0.00 0.00 179.97 180.00 2j95 h SER 241 N 0.25 0.41 -0.04 7.04 0.02 -0.68 -1.93 113.55 118.61 2j95 h SER 241 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2j95 h SER 241 Cb 0.01 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2j95 h SER 241 CO -0.01 0.26 0.00 0.23 -1.14 0.00 0.00 176.83 176.17 2j95 n MET 242 N -4.47 1.17 -0.04 3.45 2.81 -0.82 -3.58 117.12 115.63 2j95 n MET 242 Ca 0.08 -0.25 -0.05 0.00 -1.81 0.00 0.00 57.70 55.66 2j95 n MET 242 Cb 0.27 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.45 2j95 n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2j95 n LYS 243 N -0.51 0.85 0.00 0.03 5.02 -0.76 -5.10 118.16 117.70 2j95 n LYS 243 Ca 0.13 0.04 0.05 0.00 -2.02 0.00 0.00 58.31 56.51 2j95 n LYS 243 Cb 0.12 -1.17 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2j95 n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13