#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij2 n MET 9 N 0.00 2.42 0.00 1.57 0.00 -1.26 -4.54 117.12 115.31 3ij2 n MET 9 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 57.70 55.83 3ij2 n MET 9 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.05 3ij2 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ij2 n GLY 10 N -0.82 1.91 3.51 3.03 0.00 -1.26 -5.13 105.19 106.43 3ij2 n GLY 10 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3ij2 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 11 N -0.15 1.87 -0.03 1.61 2.02 -1.26 -5.14 118.70 117.61 3ij2 s GLU 11 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3ij2 s GLU 11 Cb 0.00 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.11 3ij2 s GLU 11 CO 0.00 0.48 0.00 -0.06 0.02 0.00 0.00 175.26 175.71 3ij2 s PHE 12 N -1.21 0.31 0.99 1.61 0.08 -1.26 -4.97 117.98 113.52 3ij2 s PHE 12 Ca 0.19 0.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 3ij2 s PHE 12 Cb -0.10 -0.42 0.12 0.00 -0.57 0.00 0.00 43.02 42.05 3ij2 s PHE 12 CO 0.11 -0.14 0.75 -1.13 -0.10 0.00 0.00 175.22 174.71 3ij2 n SER 13 N 4.25 -1.10 -0.01 1.36 3.41 -1.26 -4.95 113.62 115.31 3ij2 n SER 13 Ca -0.25 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 3ij2 n SER 13 Cb 0.50 -1.30 -0.16 0.00 -0.26 0.00 0.00 64.21 62.99 3ij2 n SER 13 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ij2 n VAL 14 N -4.15 0.07 -3.81 -3.33 0.31 -1.26 -4.79 118.33 101.37 3ij2 n VAL 14 Ca 0.08 -0.49 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 3ij2 n VAL 14 Cb 0.54 -0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.29 3ij2 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ij2 s ASP 16 N 1.86 6.58 0.01 0.00 1.01 -1.26 -4.90 116.67 119.97 3ij2 s ASP 16 Ca 0.04 1.81 -0.03 0.00 0.71 0.00 0.00 52.55 55.07 3ij2 s ASP 16 Cb -0.13 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3ij2 s ASP 16 CO -0.07 -0.61 0.05 -0.94 0.21 0.00 0.00 175.17 173.81 3ij2 s SER 17 N -2.15 0.13 -0.11 0.27 1.04 -1.26 -1.76 113.70 109.85 3ij2 s SER 17 Ca 0.64 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 3ij2 s SER 17 Cb -0.13 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.16 3ij2 s SER 17 CO 0.18 -0.32 -0.08 -0.69 0.98 0.00 0.00 173.24 173.32 3ij2 s VAL 18 N -1.34 1.05 0.05 5.02 1.01 -0.36 -4.84 120.40 121.00 3ij2 s VAL 18 Ca -0.15 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3ij2 s VAL 18 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3ij2 s VAL 18 CO 0.00 0.37 0.01 -0.44 0.00 0.00 0.00 175.10 175.04 3ij2 s SER 19 N 1.63 5.09 0.04 3.32 0.01 -1.26 -2.07 113.70 120.46 3ij2 s SER 19 Ca 0.04 -0.10 -0.24 0.00 1.31 0.00 0.00 55.95 56.96 3ij2 s SER 19 Cb -0.13 -1.27 0.06 0.00 0.21 0.00 0.00 66.02 64.89 3ij2 s SER 19 CO -0.08 0.22 0.55 0.54 0.41 0.00 0.00 173.24 174.89 3ij2 s VAL 20 N -1.22 0.02 -0.12 3.43 0.11 -0.20 -5.00 120.40 117.42 3ij2 s VAL 20 Ca 0.23 -0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 3ij2 s VAL 20 Cb -0.12 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 3ij2 s VAL 20 CO 0.15 -0.10 0.73 0.26 -3.33 0.00 0.00 175.10 172.82 3ij2 s TRP 21 N -2.28 3.50 -0.65 1.54 0.52 -1.26 -1.56 118.94 118.75 3ij2 s TRP 21 Ca -0.06 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.29 3ij2 s TRP 21 Cb -0.01 -2.87 0.16 0.00 -1.15 0.00 0.00 33.47 29.60 3ij2 s TRP 21 CO -0.00 -0.05 0.44 0.08 0.02 0.00 0.00 176.95 177.43 3ij2 s VAL 22 N 1.38 3.18 0.10 4.03 1.01 0.79 -4.84 120.40 126.04 3ij2 s VAL 22 Ca 0.37 -3.58 -0.10 0.00 0.00 0.00 0.00 61.98 58.66 3ij2 s VAL 22 Cb -0.17 -3.10 -0.21 0.00 0.00 0.00 0.00 36.38 32.90 3ij2 s VAL 22 CO 0.15 -0.91 1.24 1.23 0.00 0.00 0.00 175.10 176.81 3ij2 h GLY 23 N 6.25 0.66 -5.89 4.51 0.00 -1.84 -2.93 103.07 103.82 3ij2 h GLY 23 Ca 0.03 -1.15 -0.72 0.00 0.00 0.00 0.00 47.33 45.49 3ij2 h GLY 23 CO 0.72 1.02 2.88 1.34 0.00 0.00 0.00 176.54 182.51 3ij2 n ASP 24 N -3.81 5.62 -4.33 0.19 -0.08 -1.26 -4.52 116.55 108.36 3ij2 n ASP 24 Ca -0.09 -2.90 -0.33 0.00 -1.51 0.00 0.00 54.79 49.96 3ij2 n ASP 24 Cb 0.86 -1.56 -0.15 0.00 2.34 0.00 0.00 41.12 42.62 3ij2 n ASP 24 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 3ij2 s LYS 25 N 1.71 3.29 0.00 -0.67 2.20 -1.26 -4.96 119.74 120.05 3ij2 s LYS 25 Ca 0.50 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3ij2 s LYS 25 Cb 0.14 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 3ij2 s LYS 25 CO -0.06 0.20 0.00 0.25 -0.36 0.00 0.00 175.35 175.38 3ij2 n THR 26 N 3.53 0.00 -3.97 3.43 -2.24 -1.26 -4.26 114.28 109.51 3ij2 n THR 26 Ca -0.18 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 3ij2 n THR 26 Cb 0.53 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 3ij2 n THR 26 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ij2 s THR 27 N -0.41 0.12 0.16 4.28 2.01 -1.26 -1.75 115.64 118.79 3ij2 s THR 27 Ca 0.00 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 3ij2 s THR 27 Cb 0.00 -0.24 0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ij2 s THR 27 CO 0.00 -0.43 0.37 0.00 -0.69 0.00 0.00 174.62 173.87 3ij2 n ALA 28 N 1.79 -0.86 -3.99 7.40 0.00 0.79 -4.82 120.51 120.81 3ij2 n ALA 28 Ca -0.22 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 3ij2 n ALA 28 Cb 0.56 0.42 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 3ij2 n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ij2 s THR 29 N -2.56 1.64 0.22 0.00 2.01 -1.26 -0.77 115.64 114.92 3ij2 s THR 29 Ca 0.08 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 3ij2 s THR 29 Cb -0.02 -1.53 -0.16 0.00 0.01 0.00 0.00 72.50 70.80 3ij2 s THR 29 CO 0.05 0.47 0.77 -0.67 -0.69 0.00 0.00 174.62 174.54 3ij2 n ASP 30 N 4.69 -0.10 -0.31 3.53 2.03 0.98 -2.37 116.55 124.99 3ij2 n ASP 30 Ca -0.18 1.15 0.08 0.00 0.52 0.00 0.00 54.79 56.36 3ij2 n ASP 30 Cb 0.50 -1.09 0.24 0.00 -0.72 0.00 0.00 41.12 40.06 3ij2 n ASP 30 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3ij2 h ILE 31 N 1.56 0.75 -0.26 5.18 2.10 0.61 0.53 117.51 127.98 3ij2 h ILE 31 Ca -0.34 -0.24 0.08 0.00 1.08 0.00 0.00 64.86 65.43 3ij2 h ILE 31 Cb 1.40 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 3ij2 h ILE 31 CO 0.60 0.13 0.38 0.11 -1.08 0.00 0.00 178.15 178.28 3ij2 h LYS 32 N 0.70 0.00 0.00 2.19 1.79 -1.88 -3.44 116.57 115.93 3ij2 h LYS 32 Ca 0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 3ij2 h LYS 32 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3ij2 h LYS 32 CO -0.35 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.43 3ij2 n GLY 33 N -1.40 1.13 3.48 3.86 0.00 0.18 -5.08 105.19 107.36 3ij2 n GLY 33 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3ij2 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ij2 s LYS 34 N -0.31 3.19 0.22 1.61 2.20 -1.17 -4.67 119.74 120.80 3ij2 s LYS 34 Ca 0.00 -0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 54.74 3ij2 s LYS 34 Cb 0.00 -4.04 -0.14 0.00 -1.51 0.00 0.00 37.83 32.14 3ij2 s LYS 34 CO 0.00 -1.17 0.33 -1.91 -0.36 0.00 0.00 175.35 172.24 3ij2 n GLU 35 N 6.33 0.00 -3.82 4.03 4.07 -1.26 -0.01 120.64 129.98 3ij2 n GLU 35 Ca -0.04 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.00 3ij2 n GLU 35 Cb 0.46 -0.85 -0.01 0.00 -0.06 0.00 0.00 31.44 30.99 3ij2 n GLU 35 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3ij2 s VAL 36 N -1.02 0.00 0.16 6.31 0.11 0.05 -4.68 120.40 121.33 3ij2 s VAL 36 Ca 0.53 -0.83 0.10 0.00 -2.93 0.00 0.00 61.98 58.85 3ij2 s VAL 36 Cb -0.72 -2.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 3ij2 s VAL 36 CO 0.49 0.00 -0.21 0.42 -3.33 0.00 0.00 175.10 172.47 3ij2 s THR 37 N -3.23 2.55 0.55 5.04 -4.23 -1.24 -0.15 115.64 114.92 3ij2 s THR 37 Ca 0.13 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 3ij2 s THR 37 Cb -0.04 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.65 3ij2 s THR 37 CO 0.06 -0.02 0.50 -0.69 -0.54 0.00 0.00 174.62 173.92 3ij2 s VAL 38 N -1.42 1.81 0.15 2.29 1.01 -0.71 -0.73 120.40 122.80 3ij2 s VAL 38 Ca 0.19 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.86 3ij2 s VAL 38 Cb -0.09 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ij2 s VAL 38 CO 0.10 0.00 0.06 -0.76 0.00 0.00 0.00 175.10 174.50 3ij2 s LEU 39 N -4.37 3.57 0.00 3.92 1.02 -1.25 -4.74 118.68 116.83 3ij2 s LEU 39 Ca 0.41 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.34 3ij2 s LEU 39 Cb -0.03 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.96 3ij2 s LEU 39 CO 0.26 0.10 0.00 0.00 0.02 0.00 0.00 176.35 176.73 3ij2 n ALA 40 N -0.08 0.93 0.08 4.21 0.00 -1.26 -4.50 120.51 119.88 3ij2 n ALA 40 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 3ij2 n ALA 40 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3ij2 n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ij2 h GLU 41 N 0.00 -0.38 -6.99 0.00 5.08 -1.95 -3.34 114.58 106.99 3ij2 h GLU 41 Ca 0.00 0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.80 3ij2 h GLU 41 Cb 0.00 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.21 3ij2 h GLU 41 CO 0.00 -0.25 -0.94 0.28 -1.00 0.00 0.00 179.01 177.10 3ij2 n VAL 42 N -5.36 -1.53 -0.37 3.13 0.31 -1.26 -4.35 118.33 108.89 3ij2 n VAL 42 Ca -0.05 -0.51 -0.04 0.00 -0.01 0.00 0.00 64.34 63.73 3ij2 n VAL 42 Cb 0.27 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.76 3ij2 n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ij2 n ASN 43 N -2.42 2.33 -4.54 4.52 5.03 -1.26 -4.57 115.26 114.34 3ij2 n ASN 43 Ca -0.23 -1.84 -0.43 0.00 0.87 0.00 0.00 54.58 52.95 3ij2 n ASN 43 Cb 0.61 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 3ij2 n ASN 43 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ij2 s ILE 44 N 1.81 4.27 0.00 2.41 1.01 -1.26 -3.82 121.20 125.62 3ij2 s ILE 44 Ca 0.20 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3ij2 s ILE 44 Cb 0.10 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3ij2 s ILE 44 CO 0.00 -1.18 0.00 0.59 0.00 0.00 0.00 174.94 174.35 3ij2 n ASN 45 N 7.77 0.00 0.00 3.58 3.02 -1.26 -4.31 115.26 124.06 3ij2 n ASN 45 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3ij2 n ASN 45 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3ij2 n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ij2 n ASN 46 N 0.00 -0.47 -2.01 6.41 3.02 -1.25 -5.00 115.26 115.97 3ij2 n ASN 46 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3ij2 n ASN 46 Cb 0.00 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 3ij2 n ASN 46 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ij2 n SER 47 N -0.04 0.00 0.00 6.41 3.41 -1.26 -5.05 113.62 117.09 3ij2 n SER 47 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3ij2 n SER 47 Cb 0.02 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3ij2 n SER 47 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ij2 n VAL 48 N -1.53 0.00 0.00 -3.33 0.24 -1.26 -4.24 118.33 108.21 3ij2 n VAL 48 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3ij2 n VAL 48 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3ij2 n VAL 48 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3ij2 n PHE 49 N -0.79 0.00 0.00 6.34 3.72 -1.26 -4.51 117.46 120.96 3ij2 n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ij2 n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3ij2 n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ij2 n ARG 50 N 7.09 0.00 -4.10 -1.08 1.74 -1.26 -5.05 116.66 114.01 3ij2 n ARG 50 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 3ij2 n ARG 50 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 3ij2 n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3ij2 s GLN 51 N -4.37 2.97 0.12 5.56 -0.21 -1.26 -5.11 119.66 117.37 3ij2 s GLN 51 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 3ij2 s GLN 51 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 3ij2 s GLN 51 CO 0.00 -0.24 0.30 0.71 -2.12 0.00 0.00 175.29 173.94 3ij2 s TYR 52 N 1.29 3.50 0.04 0.91 2.02 -1.26 -4.39 117.35 119.46 3ij2 s TYR 52 Ca 0.04 0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 57.08 3ij2 s TYR 52 Cb -0.14 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 3ij2 s TYR 52 CO -0.12 0.50 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.27 3ij2 s PHE 53 N -1.65 0.48 -0.42 2.71 0.08 -1.11 -4.94 117.98 113.14 3ij2 s PHE 53 Ca 0.37 -0.87 -0.04 0.00 0.12 0.00 0.00 56.93 56.51 3ij2 s PHE 53 Cb -0.12 -0.34 0.11 0.00 -0.57 0.00 0.00 43.02 42.10 3ij2 s PHE 53 CO 0.27 -0.29 0.23 0.12 -0.10 0.00 0.00 175.22 175.45 3ij2 s PHE 54 N -3.06 3.54 0.04 0.36 5.36 -1.26 -0.15 117.98 122.82 3ij2 s PHE 54 Ca -0.00 -2.27 -0.11 0.00 -0.96 0.00 0.00 56.93 53.58 3ij2 s PHE 54 Cb 0.02 -3.25 -0.06 0.00 -0.34 0.00 0.00 43.02 39.39 3ij2 s PHE 54 CO -0.07 -0.97 0.39 -1.21 -1.46 0.00 0.00 175.22 171.90 3ij2 s GLU 55 N 1.19 3.79 -0.02 10.12 2.02 -0.60 -4.71 118.70 130.49 3ij2 s GLU 55 Ca 0.07 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.31 3ij2 s GLU 55 Cb -0.23 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 30.93 3ij2 s GLU 55 CO -0.03 0.62 -0.02 0.99 0.02 0.00 0.00 175.26 176.83 3ij2 s THR 56 N -1.27 0.29 0.30 3.63 2.01 -1.04 -1.04 115.64 118.52 3ij2 s THR 56 Ca 0.29 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.29 3ij2 s THR 56 Cb -0.15 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 3ij2 s THR 56 CO 0.16 0.13 0.22 0.29 -0.69 0.00 0.00 174.62 174.73 3ij2 n LYS 57 N 3.58 0.41 -3.06 4.92 5.02 -0.88 -2.69 118.16 125.46 3ij2 n LYS 57 Ca -0.20 -2.93 -0.40 0.00 -2.02 0.00 0.00 58.31 52.76 3ij2 n LYS 57 Cb 0.54 2.24 -0.05 0.00 -0.02 0.00 0.00 35.03 37.75 3ij2 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ij2 h ARG 59 N 6.27 0.12 -2.01 0.00 2.43 -1.67 -3.46 114.38 116.07 3ij2 h ARG 59 Ca -0.43 -0.01 0.24 0.00 -0.81 0.00 0.00 59.98 58.98 3ij2 h ARG 59 Cb 1.20 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.63 3ij2 h ARG 59 CO 0.73 0.08 0.63 0.00 -1.51 0.00 0.00 179.97 179.91 3ij2 s ALA 60 N -6.11 -1.89 0.01 2.80 0.00 -1.26 -5.05 121.76 110.26 3ij2 s ALA 60 Ca -0.13 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 3ij2 s ALA 60 Cb 0.22 0.55 -0.16 0.00 0.00 0.00 0.00 23.12 23.73 3ij2 s ALA 60 CO 0.75 -1.05 1.21 0.77 0.00 0.00 0.00 175.76 177.44 3ij2 h SER 61 N 2.00 -0.44 -3.88 0.00 0.02 -1.89 -3.40 113.55 105.96 3ij2 h SER 61 Ca -0.27 -0.13 -0.67 0.00 -0.84 0.00 0.00 61.79 59.88 3ij2 h SER 61 Cb 1.22 0.11 -0.38 0.00 0.14 0.00 0.00 62.40 63.50 3ij2 h SER 61 CO 0.28 -0.08 -0.39 0.20 -1.14 0.00 0.00 176.83 175.69 3ij2 s ASN 62 N -4.95 5.14 0.07 3.07 -0.87 -1.26 -1.66 114.94 114.49 3ij2 s ASN 62 Ca -0.14 -3.24 0.09 0.00 -1.57 0.00 0.00 52.86 48.00 3ij2 s ASN 62 Cb 0.02 -1.79 0.43 0.00 -0.02 0.00 0.00 41.25 39.89 3ij2 s ASN 62 CO 0.52 -0.25 1.29 -0.81 -2.57 0.00 0.00 177.10 175.27 3ij2 n PRO 63 N 2.90 0.04 -4.27 -0.60 -0.04 -1.14 -4.57 135.00 127.33 3ij2 n PRO 63 Ca 0.12 0.45 -0.15 0.00 -0.04 0.00 0.00 63.50 63.89 3ij2 n PRO 63 Cb 0.36 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 3ij2 n PRO 63 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ij2 s VAL 64 N -3.12 0.70 0.49 0.52 1.01 -0.37 -4.94 120.40 114.70 3ij2 s VAL 64 Ca 0.02 -1.99 0.16 0.00 0.00 0.00 0.00 61.98 60.16 3ij2 s VAL 64 Cb 0.04 -2.26 0.24 0.00 0.00 0.00 0.00 36.38 34.41 3ij2 s VAL 64 CO 0.13 -0.36 2.09 -0.33 0.00 0.00 0.00 175.10 176.64 3ij2 h GLU 65 N 2.60 0.00 0.00 2.72 3.07 -1.96 -1.26 114.58 119.75 3ij2 h GLU 65 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3ij2 h GLU 65 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3ij2 h GLU 65 CO 0.62 0.07 -0.03 0.66 -1.40 0.00 0.00 179.01 178.93 3ij2 h SER 66 N 0.00 0.00 0.00 1.42 4.64 -1.95 -3.50 113.55 114.15 3ij2 h SER 66 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ij2 h SER 66 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ij2 h SER 66 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3ij2 n GLY 67 N 1.26 0.21 3.78 -0.77 0.00 -0.48 -3.96 105.19 105.23 3ij2 n GLY 67 Ca 0.05 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3ij2 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij2 s ARG 69 N -4.97 3.32 0.00 0.00 3.52 0.30 -3.84 118.95 117.28 3ij2 s ARG 69 Ca 0.61 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 3ij2 s ARG 69 Cb -0.16 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 3ij2 s ARG 69 CO 0.56 -1.95 0.00 0.41 -0.81 0.00 0.00 175.30 173.51 3ij2 n GLY 70 N 5.24 1.05 3.90 8.12 0.00 -1.26 -4.61 105.19 117.63 3ij2 n GLY 70 Ca 0.06 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 3ij2 n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ij2 s ILE 71 N -2.00 1.98 -1.04 -0.61 -0.00 -1.25 -4.95 121.20 113.33 3ij2 s ILE 71 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 60.45 3ij2 s ILE 71 Cb 0.00 -2.96 0.10 0.00 -0.00 0.00 0.00 42.46 39.59 3ij2 s ILE 71 CO 0.00 0.00 1.36 -0.62 -0.00 0.00 0.00 174.94 175.68 3ij2 s ASP 72 N -4.68 6.65 0.31 4.36 -1.08 -1.26 -4.80 116.67 116.16 3ij2 s ASP 72 Ca 0.69 -1.95 0.19 0.00 -0.52 0.00 0.00 52.55 50.96 3ij2 s ASP 72 Cb -0.07 -2.49 1.04 0.00 -1.46 0.00 0.00 42.92 39.94 3ij2 s ASP 72 CO 0.52 -1.22 1.57 -1.54 0.52 0.00 0.00 175.17 175.01 3ij2 n SER 73 N 7.61 0.50 0.16 -0.34 3.41 -1.26 -1.84 113.62 121.86 3ij2 n SER 73 Ca 0.32 0.71 0.04 0.00 -0.26 0.00 0.00 58.87 59.68 3ij2 n SER 73 Cb 0.49 -0.76 0.16 0.00 -0.26 0.00 0.00 64.21 63.84 3ij2 n SER 73 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ij2 h LYS 74 N 0.00 0.00 0.00 4.33 3.64 -2.00 -3.35 116.57 119.19 3ij2 h LYS 74 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ij2 h LYS 74 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3ij2 h LYS 74 CO 0.00 0.46 -1.01 0.72 -2.27 0.00 0.00 179.45 177.35 3ij2 n HIS 75 N -3.35 0.00 -5.03 1.91 8.25 -0.76 -4.97 115.22 111.27 3ij2 n HIS 75 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 3ij2 n HIS 75 Cb 0.64 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.59 3ij2 n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ij2 s TRP 76 N -2.01 1.88 0.20 4.41 0.52 -0.94 -1.19 118.94 121.81 3ij2 s TRP 76 Ca -0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 56.10 55.70 3ij2 s TRP 76 Cb 0.00 -1.21 -0.06 0.00 -1.15 0.00 0.00 33.47 31.05 3ij2 s TRP 76 CO 0.01 -0.04 0.46 -0.80 0.02 0.00 0.00 176.95 176.60 3ij2 s ASN 77 N -0.47 6.52 0.06 2.95 0.01 0.63 -4.39 114.94 120.25 3ij2 s ASN 77 Ca 0.08 0.70 -0.07 0.00 -0.71 0.00 0.00 52.86 52.86 3ij2 s ASN 77 Cb -0.08 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 3ij2 s ASN 77 CO -0.01 -0.04 0.14 -0.94 -1.51 0.00 0.00 177.10 174.74 3ij2 s SER 78 N -2.58 0.18 -0.28 -1.22 1.04 -1.25 -1.12 113.70 108.47 3ij2 s SER 78 Ca 0.43 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 56.02 3ij2 s SER 78 Cb -0.11 0.29 0.09 0.00 0.10 0.00 0.00 66.02 66.38 3ij2 s SER 78 CO 0.25 -0.63 0.78 -0.72 0.98 0.00 0.00 173.24 173.89 3ij2 s TYR 79 N -3.40 -0.84 0.09 5.02 1.13 -1.20 -4.14 117.35 114.01 3ij2 s TYR 79 Ca 0.02 1.83 -0.23 0.00 -1.41 0.00 0.00 57.07 57.27 3ij2 s TYR 79 Cb 0.03 0.44 -0.07 0.00 -1.10 0.00 0.00 41.96 41.26 3ij2 s TYR 79 CO -0.08 -0.41 0.70 0.00 -2.51 0.00 0.00 175.55 173.25 3ij2 s THR 81 N -0.71 0.84 -0.07 0.00 2.01 -0.85 -4.48 115.64 112.38 3ij2 s THR 81 Ca 0.34 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.31 3ij2 s THR 81 Cb -0.21 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3ij2 s THR 81 CO 0.23 0.00 0.08 -0.89 -0.69 0.00 0.00 174.62 173.34 3ij2 s THR 82 N -3.45 4.84 -0.12 -0.82 2.01 -1.26 -1.35 115.64 115.49 3ij2 s THR 82 Ca 0.35 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 3ij2 s THR 82 Cb 0.07 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3ij2 s THR 82 CO 0.15 0.52 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.65 3ij2 s THR 83 N -1.05 3.76 0.37 -0.82 2.01 0.13 -4.96 115.64 115.09 3ij2 s THR 83 Ca 0.17 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.82 3ij2 s THR 83 Cb -0.12 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 3ij2 s THR 83 CO 0.07 0.53 0.50 -1.00 -0.69 0.00 0.00 174.62 174.04 3ij2 s HIS 84 N -0.05 2.96 0.27 4.92 3.76 -1.26 -0.81 115.29 125.08 3ij2 s HIS 84 Ca 0.01 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 3ij2 s HIS 84 Cb -0.13 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.40 3ij2 s HIS 84 CO 0.03 -0.18 0.51 -0.08 -0.85 0.00 0.00 174.74 174.17 3ij2 s THR 85 N -2.27 0.00 -0.01 1.30 -1.32 -0.77 -4.84 115.64 107.73 3ij2 s THR 85 Ca 0.49 -1.38 0.07 0.00 -1.21 0.00 0.00 61.69 59.66 3ij2 s THR 85 Cb -0.09 -2.30 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 3ij2 s THR 85 CO 0.32 0.00 -0.23 -0.36 -2.21 0.00 0.00 174.62 172.13 3ij2 s PHE 86 N -3.77 2.08 0.02 9.09 0.08 -1.26 -1.24 117.98 122.98 3ij2 s PHE 86 Ca 0.22 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.93 3ij2 s PHE 86 Cb -0.01 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3ij2 s PHE 86 CO 0.11 -0.02 -0.15 0.08 -0.10 0.00 0.00 175.22 175.13 3ij2 s VAL 87 N -0.56 1.21 -0.08 -0.44 1.01 -0.92 -4.89 120.40 115.72 3ij2 s VAL 87 Ca 0.09 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3ij2 s VAL 87 Cb -0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3ij2 s VAL 87 CO -0.01 0.15 1.14 -0.75 0.00 0.00 0.00 175.10 175.63 3ij2 s LYS 88 N -0.85 4.37 0.25 2.72 2.20 -1.26 -0.74 119.74 126.43 3ij2 s LYS 88 Ca 0.04 1.57 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 3ij2 s LYS 88 Cb -0.07 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 3ij2 s LYS 88 CO 0.01 -0.42 0.57 0.00 -0.36 0.00 0.00 175.35 175.15 3ij2 s ALA 89 N 2.21 -0.71 -0.24 3.13 0.00 -0.70 -4.99 121.76 120.46 3ij2 s ALA 89 Ca 0.53 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 3ij2 s ALA 89 Cb -0.22 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 3ij2 s ALA 89 CO 0.20 -0.92 0.71 -1.17 0.00 0.00 0.00 175.76 174.58 3ij2 s LEU 90 N -2.96 4.09 0.52 0.00 2.96 -1.26 -1.64 118.68 120.39 3ij2 s LEU 90 Ca 0.16 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 3ij2 s LEU 90 Cb -0.03 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 3ij2 s LEU 90 CO 0.06 -0.41 0.11 0.42 -1.32 0.00 0.00 176.35 175.22 3ij2 s THR 91 N 2.50 1.31 -0.22 3.68 -4.23 0.06 -3.83 115.64 114.91 3ij2 s THR 91 Ca 0.30 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3ij2 s THR 91 Cb -0.16 -2.17 0.10 0.00 1.34 0.00 0.00 72.50 71.62 3ij2 s THR 91 CO 0.09 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 174.70 3ij2 s THR 92 N -2.85 -0.37 -0.75 3.99 -1.32 0.09 -2.44 115.64 111.99 3ij2 s THR 92 Ca 0.14 -0.16 -0.16 0.00 -1.21 0.00 0.00 61.69 60.30 3ij2 s THR 92 Cb 0.01 -0.74 0.17 0.00 -1.51 0.00 0.00 72.50 70.43 3ij2 s THR 92 CO 0.08 -0.23 0.77 -0.62 -2.21 0.00 0.00 174.62 172.41 3ij2 s ASP 93 N 2.36 6.54 1.54 8.08 2.15 0.11 -3.68 116.67 133.77 3ij2 s ASP 93 Ca 0.08 -2.20 0.00 0.00 0.43 0.00 0.00 52.55 50.86 3ij2 s ASP 93 Cb -0.16 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3ij2 s ASP 93 CO -0.15 -0.80 0.00 -0.62 -0.17 0.00 0.00 175.17 173.43 3ij2 n GLU 94 N 5.04 0.00 -0.06 4.34 1.02 -1.26 -3.00 120.64 126.72 3ij2 n GLU 94 Ca 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 3ij2 n GLU 94 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.81 3ij2 n GLU 94 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ij2 h LYS 95 N 0.00 0.45 -6.51 3.49 1.57 -2.04 -3.44 116.57 110.08 3ij2 h LYS 95 Ca 0.00 -0.24 -0.53 0.00 -1.87 0.00 0.00 60.65 58.01 3ij2 h LYS 95 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3ij2 h LYS 95 CO 0.00 0.82 0.21 -0.65 -0.57 0.00 0.00 179.45 179.26 3ij2 s GLN 96 N -4.27 4.60 -0.18 3.15 1.11 -1.16 -5.06 119.66 117.84 3ij2 s GLN 96 Ca -0.14 1.20 -0.03 0.00 0.01 0.00 0.00 55.36 56.40 3ij2 s GLN 96 Cb 0.06 -3.29 0.06 0.00 -1.01 0.00 0.00 33.01 28.83 3ij2 s GLN 96 CO 0.78 0.49 0.04 0.00 0.01 0.00 0.00 175.29 176.61 3ij2 s ALA 97 N -0.88 0.93 0.34 6.09 0.00 -1.26 -0.71 121.76 126.27 3ij2 s ALA 97 Ca 0.38 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.74 3ij2 s ALA 97 Cb -0.23 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3ij2 s ALA 97 CO 0.27 -1.14 0.13 0.00 0.00 0.00 0.00 175.76 175.02 3ij2 n ALA 98 N 5.08 0.50 -2.37 0.00 0.00 -1.02 -4.91 120.51 117.78 3ij2 n ALA 98 Ca -0.09 -1.76 -0.41 0.00 0.00 0.00 0.00 53.44 51.18 3ij2 n ALA 98 Cb 0.47 1.20 -0.04 0.00 0.00 0.00 0.00 19.45 21.09 3ij2 n ALA 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3ij2 s TRP 99 N -2.87 3.67 0.18 0.00 0.52 -1.26 -0.76 118.94 118.41 3ij2 s TRP 99 Ca 0.19 1.65 -0.08 0.00 0.02 0.00 0.00 56.10 57.88 3ij2 s TRP 99 Cb 0.01 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 3ij2 s TRP 99 CO 0.13 -0.26 0.28 1.03 0.02 0.00 0.00 176.95 178.15 3ij2 s ARG 100 N 0.37 1.22 -0.24 4.98 0.52 -0.65 -4.91 118.95 120.24 3ij2 s ARG 100 Ca 0.51 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 3ij2 s ARG 100 Cb -0.25 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.54 3ij2 s ARG 100 CO 0.30 -0.44 0.21 -0.06 0.02 0.00 0.00 175.30 175.33 3ij2 s PHE 101 N -4.01 3.32 -0.04 -0.53 0.08 -1.26 -1.72 117.98 113.82 3ij2 s PHE 101 Ca 0.22 0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.61 3ij2 s PHE 101 Cb 0.04 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.13 3ij2 s PHE 101 CO 0.04 0.03 -0.18 0.96 -0.10 0.00 0.00 175.22 175.97 3ij2 s ILE 102 N 1.17 2.74 -1.15 0.64 -4.36 0.09 0.12 121.20 120.45 3ij2 s ILE 102 Ca 0.10 -0.84 -0.18 0.00 -0.26 0.00 0.00 60.65 59.47 3ij2 s ILE 102 Cb -0.14 -2.04 0.11 0.00 1.25 0.00 0.00 42.46 41.64 3ij2 s ILE 102 CO 0.06 0.59 1.47 -0.60 0.24 0.00 0.00 174.94 176.69 3ij2 s ARG 103 N -0.66 3.87 0.07 0.37 3.52 -1.00 -2.18 118.95 122.96 3ij2 s ARG 103 Ca 0.10 -1.98 -0.17 0.00 -0.13 0.00 0.00 55.73 53.56 3ij2 s ARG 103 Cb -0.11 -5.23 -0.06 0.00 -1.56 0.00 0.00 34.95 27.99 3ij2 s ARG 103 CO 0.00 -2.00 0.52 0.96 -0.81 0.00 0.00 175.30 173.98 3ij2 s ILE 104 N 3.21 4.85 0.55 4.11 -4.36 -0.37 -4.75 121.20 124.43 3ij2 s ILE 104 Ca 0.45 1.01 -0.21 0.00 -0.26 0.00 0.00 60.65 61.64 3ij2 s ILE 104 Cb -0.01 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.85 3ij2 s ILE 104 CO -0.01 0.48 1.26 -1.81 0.24 0.00 0.00 174.94 175.10 3ij2 s ASP 105 N -1.27 5.40 0.00 4.36 -0.00 -1.26 -1.85 116.67 122.05 3ij2 s ASP 105 Ca 0.30 2.54 0.00 0.00 -0.00 0.00 0.00 52.55 55.39 3ij2 s ASP 105 Cb -0.18 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 3ij2 s ASP 105 CO 0.18 -1.46 0.00 1.07 -0.00 0.00 0.00 175.17 174.96 3ij2 n THR 106 N -1.14 0.00 -3.77 -1.27 5.66 0.01 -2.51 114.28 111.26 3ij2 n THR 106 Ca 0.11 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.08 3ij2 n THR 106 Cb 0.47 0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 3ij2 n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ij2 s ALA 107 N 0.00 -1.68 -0.13 1.79 0.00 -1.10 -4.54 121.76 116.10 3ij2 s ALA 107 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3ij2 s ALA 107 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 3ij2 s ALA 107 CO 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 175.76 174.65 3ij2 s VAL 109 N 1.71 0.75 0.40 0.00 0.11 -0.46 -4.66 120.40 118.25 3ij2 s VAL 109 Ca 0.03 -0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 58.30 3ij2 s VAL 109 Cb -0.14 -0.66 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 3ij2 s VAL 109 CO -0.08 0.10 0.96 0.00 -3.33 0.00 0.00 175.10 172.75 3ij2 s VAL 111 N -1.95 0.86 0.60 0.00 1.01 -1.04 -4.96 120.40 114.92 3ij2 s VAL 111 Ca 0.58 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 3ij2 s VAL 111 Cb -0.14 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3ij2 s VAL 111 CO 0.18 0.13 0.92 -0.76 0.00 0.00 0.00 175.10 175.57 3ij2 s LEU 112 N 1.75 3.23 -0.13 3.92 1.43 -1.26 -3.27 118.68 124.34 3ij2 s LEU 112 Ca 0.02 0.81 -0.24 0.00 -1.03 0.00 0.00 54.13 53.69 3ij2 s LEU 112 Cb -0.15 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.48 3ij2 s LEU 112 CO -0.07 -1.05 0.59 -0.94 0.23 0.00 0.00 176.35 175.10 3ij2 s SER 113 N -4.29 -0.57 0.71 2.29 1.04 -0.27 -4.96 113.70 107.65 3ij2 s SER 113 Ca 0.54 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 3ij2 s SER 113 Cb -0.11 0.84 0.05 0.00 0.10 0.00 0.00 66.02 66.91 3ij2 s SER 113 CO 0.46 -0.39 1.05 -0.13 0.98 0.00 0.00 173.24 175.21 3ij2 s ARG 114 N -0.49 2.33 0.01 4.02 0.52 -1.26 -0.27 118.95 123.81 3ij2 s ARG 114 Ca -0.06 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 3ij2 s ARG 114 Cb -0.03 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 3ij2 s ARG 114 CO 0.05 -1.22 0.07 0.15 0.02 0.00 0.00 175.30 174.36 3ij2 s LYS 115 N -5.31 3.00 0.40 3.54 1.02 -0.33 -4.70 119.74 117.35 3ij2 s LYS 115 Ca 0.59 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 3ij2 s LYS 115 Cb -0.11 -2.81 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 3ij2 s LYS 115 CO 0.47 0.63 0.84 0.00 -0.92 0.00 0.00 175.35 176.37 3ij2 s ALA 116 N -1.21 3.20 0.00 5.17 0.00 -1.26 -5.02 121.76 122.64 3ij2 s ALA 116 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3ij2 s ALA 116 Cb -0.12 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3ij2 s ALA 116 CO 0.15 0.13 0.00 -2.37 0.00 0.00 0.00 175.76 173.67