#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df3 n GLU 2 N 0.00 -1.26 -3.94 3.49 1.02 -1.10 -4.98 120.64 113.87 1df3 n GLU 2 Ca 0.00 1.37 -0.26 0.00 -0.02 0.00 0.00 57.16 58.25 1df3 n GLU 2 Cb 0.00 -3.80 -0.03 0.00 -0.02 0.00 0.00 31.44 27.59 1df3 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1df3 s ALA 3 N -1.97 3.97 -0.15 0.62 0.00 -0.91 -4.69 121.76 118.62 1df3 s ALA 3 Ca 0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1df3 s ALA 3 Cb -0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1df3 s ALA 3 CO 0.42 0.52 0.00 -1.12 0.00 0.00 0.00 175.76 175.59 1df3 s SER 4 N -3.28 5.16 -1.00 0.00 0.01 -1.23 -2.23 113.70 111.13 1df3 s SER 4 Ca 0.35 -0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.37 1df3 s SER 4 Cb -0.11 -1.78 0.03 0.00 0.21 0.00 0.00 66.02 64.37 1df3 s SER 4 CO 0.29 0.21 1.56 -0.94 0.41 0.00 0.00 173.24 174.77 1df3 s SER 5 N 0.11 6.22 0.17 2.44 1.04 -0.98 -3.94 113.70 118.76 1df3 s SER 5 Ca 0.02 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1df3 s SER 5 Cb -0.13 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1df3 s SER 5 CO 0.02 -1.77 0.00 1.07 0.98 0.00 0.00 173.24 173.54 1df3 n THR 6 N 7.09 0.00 -2.11 2.02 5.66 -1.26 -4.45 114.28 121.23 1df3 n THR 6 Ca 0.35 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1df3 n THR 6 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1df3 n THR 6 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1df3 n GLY 7 N -1.20 4.71 0.24 1.09 0.00 -1.25 -4.41 105.19 104.37 1df3 n GLY 7 Ca 0.00 -1.94 0.14 0.00 0.00 0.00 0.00 46.02 44.22 1df3 n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1df3 h ARG 8 N 0.00 0.00 -0.10 1.61 3.08 -2.03 -3.33 114.38 113.62 1df3 h ARG 8 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1df3 h ARG 8 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1df3 h ARG 8 CO 0.00 0.00 -0.03 -2.95 -1.07 0.00 0.00 179.97 175.92 1df3 h ASN 9 N 0.00 0.12 -3.37 7.04 -1.07 -1.98 -3.44 115.58 112.88 1df3 h ASN 9 Ca 0.00 -0.01 -0.56 0.00 0.07 0.00 0.00 56.30 55.80 1df3 h ASN 9 Cb 0.79 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.96 1df3 h ASN 9 CO 0.00 0.18 0.11 0.12 0.07 0.00 0.00 177.43 177.92 1df3 s PHE 10 N -4.95 3.62 -0.24 4.14 5.36 -1.25 -4.89 117.98 119.76 1df3 s PHE 10 Ca -0.05 1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 57.19 1df3 s PHE 10 Cb 0.16 -2.81 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 1df3 s PHE 10 CO 0.70 0.14 -0.01 1.21 -1.46 0.00 0.00 175.22 175.79 1df3 s ASN 11 N 0.57 4.51 0.20 6.13 2.47 -1.26 -5.03 114.94 122.54 1df3 s ASN 11 Ca 0.38 -0.49 -0.10 0.00 0.42 0.00 0.00 52.86 53.07 1df3 s ASN 11 Cb -0.18 -1.77 0.22 0.00 -1.45 0.00 0.00 41.25 38.07 1df3 s ASN 11 CO 0.20 -0.06 1.80 -0.37 -3.72 0.00 0.00 177.10 174.94 1df3 h VAL 12 N 5.78 0.95 -0.21 -5.21 -1.51 -2.01 -3.21 116.25 110.83 1df3 h VAL 12 Ca -0.38 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 64.94 1df3 h VAL 12 Cb 1.15 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1df3 h VAL 12 CO 0.60 0.11 0.15 -0.33 -1.23 0.00 0.00 177.57 176.87 1df3 h GLU 13 N 0.62 0.00 0.00 5.19 5.08 -1.96 -2.39 114.58 121.11 1df3 h GLU 13 Ca 0.28 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1df3 h GLU 13 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1df3 h GLU 13 CO -0.19 0.00 -0.17 0.87 -1.00 0.00 0.00 179.01 178.53 1df3 h LYS 14 N 0.00 0.00 -0.99 2.33 1.57 -1.97 -3.07 116.57 114.44 1df3 h LYS 14 Ca 0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 1df3 h LYS 14 Cb 0.41 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.60 1df3 h LYS 14 CO -0.00 0.17 0.25 0.44 -0.57 0.00 0.00 179.45 179.74 1df3 n ILE 15 N -3.85 1.85 -3.60 1.86 -5.35 -0.90 -4.85 119.36 104.51 1df3 n ILE 15 Ca -0.02 -0.77 -0.40 0.00 -0.27 0.00 0.00 62.75 61.29 1df3 n ILE 15 Cb 0.26 -0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 37.30 1df3 n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1df3 s ASN 16 N 0.03 5.73 0.00 7.28 2.47 -1.16 -4.67 114.94 124.62 1df3 s ASN 16 Ca 0.23 -0.80 0.00 0.00 0.42 0.00 0.00 52.86 52.72 1df3 s ASN 16 Cb 0.19 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1df3 s ASN 16 CO 0.05 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 1df3 n GLY 17 N 5.01 0.17 3.68 1.21 0.00 -1.03 -5.04 105.19 109.20 1df3 n GLY 17 Ca -0.12 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1df3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 18 N -2.00 4.34 0.02 1.61 2.02 -1.26 -2.25 118.70 121.18 1df3 s GLU 18 Ca 0.00 1.50 0.01 0.00 0.02 0.00 0.00 54.97 56.50 1df3 s GLU 18 Cb 0.00 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1df3 s GLU 18 CO 0.00 -0.48 -0.05 -1.58 0.02 0.00 0.00 175.26 173.17 1df3 s TRP 19 N 2.55 0.41 0.01 1.61 0.52 -1.00 -4.48 118.94 118.56 1df3 s TRP 19 Ca 0.50 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 56.30 1df3 s TRP 19 Cb -0.20 -0.26 -0.01 0.00 -1.15 0.00 0.00 33.47 31.85 1df3 s TRP 19 CO 0.16 -0.09 -0.09 -1.01 0.02 0.00 0.00 176.95 175.94 1df3 s HIS 20 N -0.95 0.79 -0.28 -1.98 3.76 -0.44 -3.46 115.29 112.74 1df3 s HIS 20 Ca -0.08 -0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 1df3 s HIS 20 Cb -0.07 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.14 1df3 s HIS 20 CO -0.00 -0.02 1.12 0.99 -0.85 0.00 0.00 174.74 175.98 1df3 s THR 21 N -0.55 4.48 -0.21 1.30 2.01 -0.27 -1.60 115.64 120.79 1df3 s THR 21 Ca 0.00 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.58 1df3 s THR 21 Cb -0.05 -4.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.05 1df3 s THR 21 CO 0.00 -0.36 -0.23 -0.38 -0.69 0.00 0.00 174.62 172.96 1df3 n ILE 22 N 5.71 1.50 -3.82 1.82 2.08 -0.06 -4.61 119.36 121.99 1df3 n ILE 22 Ca 0.13 -0.06 -0.21 0.00 0.56 0.00 0.00 62.75 63.16 1df3 n ILE 22 Cb 0.46 -2.14 -0.17 0.00 -0.75 0.00 0.00 39.64 37.04 1df3 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1df3 s ILE 23 N -2.57 0.30 -0.14 1.39 1.01 -1.06 -1.38 121.20 118.75 1df3 s ILE 23 Ca -0.30 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1df3 s ILE 23 Cb 0.08 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1df3 s ILE 23 CO 0.45 0.23 -0.09 -0.22 0.00 0.00 0.00 174.94 175.31 1df3 s LEU 24 N 1.76 2.98 -0.16 2.97 2.96 -1.13 -1.30 118.68 126.76 1df3 s LEU 24 Ca 0.01 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1df3 s LEU 24 Cb -0.13 -1.69 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1df3 s LEU 24 CO -0.04 0.18 0.08 0.00 -1.32 0.00 0.00 176.35 175.25 1df3 s ALA 25 N 0.30 0.44 -0.12 5.97 0.00 -0.83 -3.35 121.76 124.16 1df3 s ALA 25 Ca -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1df3 s ALA 25 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1df3 s ALA 25 CO 0.04 -1.11 -0.01 0.45 0.00 0.00 0.00 175.76 175.14 1df3 s SER 26 N 2.13 5.08 0.22 0.00 0.15 -1.26 -1.58 113.70 118.43 1df3 s SER 26 Ca 0.02 0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1df3 s SER 26 Cb -0.16 -1.62 0.24 0.00 -1.71 0.00 0.00 66.02 62.77 1df3 s SER 26 CO -0.08 0.28 1.85 -0.78 1.20 0.00 0.00 173.24 175.70 1df3 h ASP 27 N 5.92 0.77 1.17 5.45 3.58 -1.79 -2.21 116.42 129.31 1df3 h ASP 27 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1df3 h ASP 27 Cb 1.19 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1df3 h ASP 27 CO 0.59 0.52 0.00 0.11 -2.88 0.00 0.00 179.24 177.59 1df3 h LYS 28 N 0.92 0.00 0.00 0.28 1.57 -1.94 -3.47 116.57 113.93 1df3 h LYS 28 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1df3 h LYS 28 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1df3 h LYS 28 CO -0.13 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.62 1df3 n ARG 29 N -2.76 0.00 -0.34 3.15 0.63 -0.83 -4.74 116.66 111.77 1df3 n ARG 29 Ca 0.02 0.00 0.35 0.00 -0.92 0.00 0.00 57.85 57.30 1df3 n ARG 29 Cb 0.34 0.00 0.73 0.00 0.45 0.00 0.00 32.46 33.98 1df3 n ARG 29 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1df3 h GLU 30 N 0.00 0.04 -0.60 -0.14 4.11 -1.94 -2.79 114.58 113.25 1df3 h GLU 30 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1df3 h GLU 30 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1df3 h GLU 30 CO 0.00 0.03 0.36 0.87 0.07 0.00 0.00 179.01 180.34 1df3 h LYS 31 N 0.04 0.82 0.00 1.06 1.79 -1.89 -3.24 116.57 115.14 1df3 h LYS 31 Ca 0.59 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1df3 h LYS 31 Cb 2.26 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1df3 h LYS 31 CO -0.04 0.59 -0.51 -0.84 -1.08 0.00 0.00 179.45 177.57 1df3 h ILE 32 N 0.82 0.00 -3.74 1.86 3.07 -1.64 -2.05 117.51 115.82 1df3 h ILE 32 Ca 0.22 -0.80 -0.43 0.00 1.55 0.00 0.00 64.86 65.40 1df3 h ILE 32 Cb -0.01 1.52 0.18 0.00 -0.27 0.00 0.00 36.82 38.23 1df3 h ILE 32 CO -0.04 0.00 0.22 -1.61 -1.05 0.00 0.00 178.15 175.67 1df3 s GLU 33 N -3.24 -0.38 0.13 0.16 2.02 -1.19 -4.65 118.70 111.56 1df3 s GLU 33 Ca 0.05 -0.05 -0.35 0.00 0.02 0.00 0.00 54.97 54.64 1df3 s GLU 33 Cb 0.10 -1.69 -0.14 0.00 0.10 0.00 0.00 34.13 32.49 1df3 s GLU 33 CO 0.72 -3.16 1.53 -3.47 0.02 0.00 0.00 175.26 170.90 1df3 n ASP 34 N -4.37 2.77 -3.13 -0.19 -0.08 -1.26 -2.38 116.55 107.91 1df3 n ASP 34 Ca 0.12 1.09 -0.14 0.00 -1.51 0.00 0.00 54.79 54.35 1df3 n ASP 34 Cb 0.59 -1.37 0.07 0.00 2.34 0.00 0.00 41.12 42.75 1df3 n ASP 34 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1df3 n ASN 35 N 3.31 -5.80 -3.83 1.67 2.85 -1.26 -5.07 115.26 107.12 1df3 n ASN 35 Ca 0.17 -0.65 -0.17 0.00 -0.11 0.00 0.00 54.58 53.83 1df3 n ASN 35 Cb 0.26 -4.85 -0.16 0.00 1.24 0.00 0.00 39.78 36.28 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1df3 s GLY 36 N -3.46 0.25 0.44 8.20 0.00 -1.00 -4.87 107.32 106.88 1df3 s GLY 36 Ca 0.37 0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.33 1df3 s GLY 36 CO 0.68 0.52 2.05 3.45 0.00 0.00 0.00 173.10 179.80 1df3 h ASN 37 N 7.14 0.23 -2.10 1.64 -1.07 -1.80 -3.12 115.58 116.51 1df3 h ASN 37 Ca -0.41 -0.02 -0.70 0.00 0.07 0.00 0.00 56.30 55.24 1df3 h ASN 37 Cb 1.14 -0.06 -0.34 0.00 -2.07 0.00 0.00 38.32 36.99 1df3 h ASN 37 CO 0.48 0.23 0.23 0.49 0.07 0.00 0.00 177.43 178.93 1df3 n PHE 38 N -4.44 3.32 -3.36 4.14 3.01 -0.78 -4.94 117.46 114.42 1df3 n PHE 38 Ca -0.00 -3.07 -0.46 0.00 1.01 0.00 0.00 57.45 54.93 1df3 n PHE 38 Cb 0.13 -0.79 -0.02 0.00 -0.01 0.00 0.00 39.48 38.78 1df3 n PHE 38 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1df3 s ARG 39 N -3.89 3.62 -0.09 -1.08 3.52 -1.18 -4.09 118.95 115.77 1df3 s ARG 39 Ca 0.46 -2.59 -0.01 0.00 -0.13 0.00 0.00 55.73 53.46 1df3 s ARG 39 Cb 0.30 -4.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1df3 s ARG 39 CO -0.19 -1.28 -0.01 -0.51 -0.81 0.00 0.00 175.30 172.50 1df3 s LEU 40 N -0.07 0.72 0.02 -0.88 1.43 -1.26 -4.29 118.68 114.33 1df3 s LEU 40 Ca 0.20 -0.16 0.24 0.00 -1.03 0.00 0.00 54.13 53.38 1df3 s LEU 40 Cb -0.11 -0.51 0.40 0.00 0.03 0.00 0.00 46.19 46.00 1df3 s LEU 40 CO -0.09 -0.19 1.34 0.33 0.23 0.00 0.00 176.35 177.97 1df3 n PHE 41 N 5.11 0.07 -1.40 0.29 -0.00 -0.82 -4.81 117.46 115.89 1df3 n PHE 41 Ca -0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1df3 n PHE 41 Cb 0.50 -0.29 0.00 0.00 -0.00 0.00 0.00 39.48 39.69 1df3 n PHE 41 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1df3 n LEU 42 N -1.60 -4.24 -0.11 -2.13 7.94 -1.26 -1.12 117.00 114.50 1df3 n LEU 42 Ca 0.05 1.72 -0.19 0.00 -1.11 0.00 0.00 56.01 56.48 1df3 n LEU 42 Cb 0.35 -2.16 -0.06 0.00 0.53 0.00 0.00 43.42 42.08 1df3 n LEU 42 CO 0.36 -1.05 -1.04 1.21 -1.11 0.00 0.00 177.39 175.77 1df3 n GLU 43 N 1.01 0.55 -3.71 1.96 0.00 -0.53 -4.23 120.64 115.70 1df3 n GLU 43 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 57.16 57.27 1df3 n GLU 43 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 31.44 29.90 1df3 n GLU 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1df3 s GLN 44 N -2.71 0.47 -0.51 5.31 0.74 -1.01 -2.39 119.66 119.56 1df3 s GLN 44 Ca -0.33 0.70 -0.17 0.00 0.05 0.00 0.00 55.36 55.61 1df3 s GLN 44 Cb 0.09 0.13 0.08 0.00 1.10 0.00 0.00 33.01 34.42 1df3 s GLN 44 CO 0.45 -0.10 0.52 0.42 -0.55 0.00 0.00 175.29 176.03 1df3 s ILE 45 N 0.77 5.08 -0.25 -2.34 1.01 -0.95 -1.05 121.20 123.47 1df3 s ILE 45 Ca -0.04 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 1df3 s ILE 45 Cb -0.05 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1df3 s ILE 45 CO -0.06 -0.78 0.45 -2.28 0.00 0.00 0.00 174.94 172.27 1df3 s HIS 46 N 2.04 3.29 -0.48 3.97 2.46 -0.44 -2.46 115.29 123.67 1df3 s HIS 46 Ca 0.08 0.57 -0.18 0.00 0.47 0.00 0.00 55.06 55.99 1df3 s HIS 46 Cb -0.24 -2.63 0.05 0.00 -0.13 0.00 0.00 32.58 29.63 1df3 s HIS 46 CO 0.07 -0.20 0.55 0.08 -2.47 0.00 0.00 174.74 172.77 1df3 s VAL 47 N 2.00 4.97 0.24 0.89 1.01 -1.26 -1.24 120.40 127.01 1df3 s VAL 47 Ca 0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1df3 s VAL 47 Cb -0.15 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1df3 s VAL 47 CO 0.09 -0.68 0.46 -0.76 0.00 0.00 0.00 175.10 174.21 1df3 s LEU 48 N 2.39 4.16 0.21 3.92 1.43 -0.70 -5.04 118.68 125.05 1df3 s LEU 48 Ca 0.13 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1df3 s LEU 48 Cb -0.19 -3.32 0.28 0.00 0.03 0.00 0.00 46.19 42.99 1df3 s LEU 48 CO 0.12 -0.11 1.70 -0.08 0.23 0.00 0.00 176.35 178.22 1df3 h GLU 49 N 1.86 0.24 -0.28 1.70 4.57 -2.03 -2.68 114.58 117.96 1df3 h GLU 49 Ca -0.48 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.51 1df3 h GLU 49 Cb 1.19 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.60 1df3 h GLU 49 CO 0.67 0.16 -0.38 0.36 -1.18 0.00 0.00 179.01 178.64 1df3 n LYS 50 N -5.13 2.06 -3.66 1.92 2.85 -1.26 -5.04 118.16 109.90 1df3 n LYS 50 Ca 0.08 -3.43 -0.10 0.00 -1.05 0.00 0.00 58.31 53.82 1df3 n LYS 50 Cb 0.31 -1.82 -0.08 0.00 -0.65 0.00 0.00 35.03 32.79 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1df3 s SER 51 N -3.03 -0.74 -0.42 -5.58 0.15 -1.01 -1.96 113.70 101.11 1df3 s SER 51 Ca 0.43 1.26 -0.16 0.00 0.70 0.00 0.00 55.95 58.19 1df3 s SER 51 Cb 0.39 1.19 0.02 0.00 -1.71 0.00 0.00 66.02 65.91 1df3 s SER 51 CO -0.03 -0.22 0.37 -0.22 1.20 0.00 0.00 173.24 174.34 1df3 s LEU 52 N 1.14 4.98 -0.67 3.45 2.96 -0.66 -1.73 118.68 128.14 1df3 s LEU 52 Ca -0.07 -0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 52.90 1df3 s LEU 52 Cb -0.06 -2.27 0.16 0.00 0.50 0.00 0.00 46.19 44.52 1df3 s LEU 52 CO -0.11 -0.52 0.65 -0.69 -1.32 0.00 0.00 176.35 174.37 1df3 s VAL 53 N 1.91 5.30 -0.63 1.68 1.01 -0.38 -1.87 120.40 127.43 1df3 s VAL 53 Ca 0.09 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 1df3 s VAL 53 Cb -0.18 -4.43 0.07 0.00 0.00 0.00 0.00 36.38 31.85 1df3 s VAL 53 CO 0.12 -0.99 0.90 -0.76 0.00 0.00 0.00 175.10 174.37 1df3 s LEU 54 N 1.21 4.56 -0.76 3.92 1.02 -0.92 -1.32 118.68 126.39 1df3 s LEU 54 Ca 0.11 -1.01 -0.25 0.00 0.02 0.00 0.00 54.13 53.01 1df3 s LEU 54 Cb -0.21 -2.44 0.05 0.00 0.02 0.00 0.00 46.19 43.62 1df3 s LEU 54 CO -0.02 -1.34 1.19 -0.54 0.02 0.00 0.00 176.35 175.66 1df3 s LYS 55 N 3.74 3.24 -0.28 1.70 1.02 -0.21 -1.63 119.74 127.31 1df3 s LYS 55 Ca 0.21 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 1df3 s LYS 55 Cb -0.18 -4.38 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 1df3 s LYS 55 CO 0.10 -2.02 0.33 -0.06 -0.92 0.00 0.00 175.35 172.78 1df3 s PHE 56 N 4.91 3.23 -0.65 3.18 0.08 -0.70 -1.45 117.98 126.59 1df3 s PHE 56 Ca 0.32 0.29 -0.27 0.00 0.12 0.00 0.00 56.93 57.39 1df3 s PHE 56 Cb -0.10 -2.55 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1df3 s PHE 56 CO 0.09 -0.24 1.44 -3.38 -0.10 0.00 0.00 175.22 173.03 1df3 s HIS 57 N 2.00 2.16 -0.10 0.36 -3.43 -1.26 -1.09 115.29 113.94 1df3 s HIS 57 Ca 0.13 0.31 -0.27 0.00 -0.80 0.00 0.00 55.06 54.43 1df3 s HIS 57 Cb -0.16 -4.44 -0.02 0.00 -1.43 0.00 0.00 32.58 26.53 1df3 s HIS 57 CO 0.10 -2.08 0.88 -0.08 -2.00 0.00 0.00 174.74 171.56 1df3 s THR 58 N 6.51 4.89 -0.23 -5.38 -1.32 -0.77 -1.95 115.64 117.38 1df3 s THR 58 Ca 0.48 1.78 -0.06 0.00 -1.21 0.00 0.00 61.69 62.68 1df3 s THR 58 Cb -0.10 -4.20 -0.02 0.00 -1.51 0.00 0.00 72.50 66.68 1df3 s THR 58 CO 0.20 0.10 0.02 -0.69 -2.21 0.00 0.00 174.62 172.03 1df3 s VAL 59 N 1.60 3.88 -0.74 5.08 1.01 -1.26 -2.73 120.40 127.24 1df3 s VAL 59 Ca 0.43 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1df3 s VAL 59 Cb -0.18 -2.79 0.19 0.00 0.00 0.00 0.00 36.38 33.60 1df3 s VAL 59 CO 0.18 0.38 0.59 -0.60 0.00 0.00 0.00 175.10 175.66 1df3 s ARG 60 N 1.51 2.95 0.00 2.72 3.00 -0.97 -4.76 118.95 123.40 1df3 s ARG 60 Ca 0.06 -2.73 0.00 0.00 -1.00 0.00 0.00 55.73 52.06 1df3 s ARG 60 Cb -0.15 -3.92 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1df3 s ARG 60 CO 0.01 -1.22 0.00 -0.25 0.00 0.00 0.00 175.30 173.84 1df3 n ASP 61 N 3.26 0.00 0.00 -2.12 8.00 -1.26 -2.25 116.55 122.18 1df3 n ASP 61 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1df3 n ASP 61 Cb 0.39 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1df3 n ASP 61 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1df3 n GLU 62 N -0.62 0.00 -2.46 -1.24 0.28 -1.26 -5.04 120.64 110.30 1df3 n GLU 62 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1df3 n GLU 62 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1df3 n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1df3 s GLU 63 N 0.00 3.92 -0.42 3.44 -6.30 -0.95 -4.86 118.70 113.53 1df3 s GLU 63 Ca 0.00 1.19 -0.08 0.00 -2.50 0.00 0.00 54.97 53.58 1df3 s GLU 63 Cb 0.00 -3.86 0.09 0.00 0.00 0.00 0.00 34.13 30.35 1df3 s GLU 63 CO 0.00 -1.11 0.26 0.00 0.02 0.00 0.00 175.26 174.43 1df3 s SER 65 N 2.16 5.15 -0.30 0.00 0.01 -1.11 -4.65 113.70 114.96 1df3 s SER 65 Ca 0.04 -0.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.04 1df3 s SER 65 Cb -0.23 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1df3 s SER 65 CO 0.01 0.20 0.81 -1.83 0.41 0.00 0.00 173.24 172.84 1df3 s GLU 66 N 0.19 3.99 -0.41 12.44 -1.05 -1.26 -1.85 118.70 130.75 1df3 s GLU 66 Ca 0.01 0.65 -0.05 0.00 -0.15 0.00 0.00 54.97 55.43 1df3 s GLU 66 Cb -0.13 -3.72 0.10 0.00 -0.44 0.00 0.00 34.13 29.94 1df3 s GLU 66 CO 0.02 -0.67 0.22 -1.17 0.95 0.00 0.00 175.26 174.60 1df3 s LEU 67 N 2.98 5.16 -0.60 1.83 0.20 -0.25 -4.86 118.68 123.14 1df3 s LEU 67 Ca 0.33 -1.82 -0.28 0.00 0.69 0.00 0.00 54.13 53.06 1df3 s LEU 67 Cb -0.14 -1.88 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 1df3 s LEU 67 CO 0.12 -0.54 1.29 -0.94 -0.29 0.00 0.00 176.35 175.99 1df3 s SER 68 N 1.97 6.28 -0.89 3.68 1.04 -1.26 -1.71 113.70 122.80 1df3 s SER 68 Ca 0.05 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 1df3 s SER 68 Cb -0.23 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.46 1df3 s SER 68 CO -0.02 -1.63 1.10 -0.04 0.98 0.00 0.00 173.24 173.63 1df3 s MET 69 N 5.30 3.53 -0.69 4.02 -1.94 -0.65 -4.91 119.30 123.96 1df3 s MET 69 Ca 0.45 -1.64 -0.26 0.00 -1.71 0.00 0.00 55.69 52.54 1df3 s MET 69 Cb -0.09 -4.82 0.04 0.00 2.01 0.00 0.00 34.83 31.97 1df3 s MET 69 CO 0.23 -1.77 1.16 0.08 -0.01 0.00 0.00 175.02 174.71 1df3 s VAL 70 N 2.86 3.97 -0.54 -6.03 1.01 -1.26 -2.17 120.40 118.24 1df3 s VAL 70 Ca 0.31 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 1df3 s VAL 70 Cb -0.07 -4.80 0.14 0.00 0.00 0.00 0.00 36.38 31.65 1df3 s VAL 70 CO -0.07 -1.64 0.40 0.00 0.00 0.00 0.00 175.10 173.79 1df3 s ALA 71 N 5.05 3.48 0.37 5.51 0.00 -0.78 -4.51 121.76 130.88 1df3 s ALA 71 Ca 0.32 -2.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.22 1df3 s ALA 71 Cb -0.11 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 1df3 s ALA 71 CO 0.15 -1.98 1.05 0.34 0.00 0.00 0.00 175.76 175.32 1df3 s ASP 72 N 2.00 6.92 -0.13 0.00 2.15 -1.03 -1.66 116.67 124.91 1df3 s ASP 72 Ca 0.10 2.08 -0.29 0.00 0.43 0.00 0.00 52.55 54.87 1df3 s ASP 72 Cb -0.22 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.78 1df3 s ASP 72 CO -0.03 -0.38 1.33 -0.54 -0.17 0.00 0.00 175.17 175.38 1df3 s LYS 73 N -2.21 4.23 0.46 4.34 1.02 -0.83 -2.07 119.74 124.68 1df3 s LYS 73 Ca 0.54 1.76 -0.06 0.00 0.02 0.00 0.00 55.97 58.23 1df3 s LYS 73 Cb -0.24 -3.78 0.10 0.00 -0.52 0.00 0.00 37.83 33.39 1df3 s LYS 73 CO 0.31 -0.71 0.63 0.25 -0.92 0.00 0.00 175.35 174.91 1df3 n THR 74 N 5.31 0.00 0.09 2.17 -2.24 -1.09 -5.00 114.28 113.52 1df3 n THR 74 Ca 0.14 -0.62 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1df3 n THR 74 Cb 0.45 -1.52 0.57 0.00 -2.10 0.00 0.00 70.33 67.73 1df3 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1df3 h GLU 75 N 0.00 0.20 -6.54 -0.78 5.08 -1.96 -3.43 114.58 107.15 1df3 h GLU 75 Ca -0.20 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.61 1df3 h GLU 75 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1df3 h GLU 75 CO 0.17 0.13 0.53 0.15 -1.00 0.00 0.00 179.01 178.99 1df3 s LYS 76 N -5.22 4.48 -0.52 2.33 3.01 -1.26 -5.00 119.74 117.56 1df3 s LYS 76 Ca -0.06 1.76 -0.28 0.00 -1.01 0.00 0.00 55.97 56.38 1df3 s LYS 76 Cb 0.18 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.68 1df3 s LYS 76 CO 0.71 -0.15 1.56 0.00 0.51 0.00 0.00 175.35 177.98 1df3 s ALA 77 N 0.61 2.71 0.00 5.17 0.00 -1.26 -3.69 121.76 125.30 1df3 s ALA 77 Ca 0.56 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1df3 s ALA 77 Cb -0.30 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1df3 s ALA 77 CO 0.31 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.45 1df3 n GLY 78 N 5.36 -0.08 3.35 0.00 0.00 -1.26 -4.46 105.19 108.10 1df3 n GLY 78 Ca 0.16 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.87 1df3 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 79 N -1.96 0.40 -0.32 1.61 2.12 -1.24 -4.75 118.70 114.56 1df3 s GLU 79 Ca 0.00 0.89 -0.07 0.00 0.36 0.00 0.00 54.97 56.14 1df3 s GLU 79 Cb 0.00 0.52 0.02 0.00 0.26 0.00 0.00 34.13 34.93 1df3 s GLU 79 CO 0.00 -0.27 0.11 0.71 -0.54 0.00 0.00 175.26 175.27 1df3 s TYR 80 N 2.75 3.19 -0.36 5.30 2.02 -0.93 -2.68 117.35 126.63 1df3 s TYR 80 Ca 0.03 -1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 55.58 1df3 s TYR 80 Cb -0.10 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 1df3 s TYR 80 CO -0.17 -0.61 0.19 -1.54 -1.57 0.00 0.00 175.55 171.85 1df3 s SER 81 N 1.49 5.69 -0.10 2.29 1.04 -0.88 -2.06 113.70 121.17 1df3 s SER 81 Ca 0.02 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1df3 s SER 81 Cb -0.18 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1df3 s SER 81 CO 0.03 -0.34 -0.09 0.54 0.98 0.00 0.00 173.24 174.36 1df3 s VAL 82 N 1.56 3.46 -0.56 5.02 0.11 -1.00 -2.46 120.40 126.54 1df3 s VAL 82 Ca 0.02 -0.54 -0.19 0.00 -2.93 0.00 0.00 61.98 58.34 1df3 s VAL 82 Cb -0.19 -2.44 0.09 0.00 -1.53 0.00 0.00 36.38 32.31 1df3 s VAL 82 CO 0.06 0.56 0.67 -0.89 -3.33 0.00 0.00 175.10 172.17 1df3 s THR 83 N -0.26 4.85 -0.28 5.04 2.01 -1.26 -1.69 115.64 124.04 1df3 s THR 83 Ca 0.03 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 1df3 s THR 83 Cb -0.13 -4.41 0.13 0.00 0.01 0.00 0.00 72.50 68.10 1df3 s THR 83 CO 0.03 -0.99 0.26 -0.47 -0.69 0.00 0.00 174.62 172.75 1df3 s TYR 84 N 2.64 -0.29 -0.96 4.92 6.14 -1.26 -4.92 117.35 123.62 1df3 s TYR 84 Ca 0.13 -0.29 -0.05 0.00 0.64 0.00 0.00 57.07 57.50 1df3 s TYR 84 Cb -0.22 -0.54 -0.04 0.00 0.42 0.00 0.00 41.96 41.57 1df3 s TYR 84 CO 0.08 -0.88 0.84 -0.25 0.64 0.00 0.00 175.55 175.98 1df3 n ASP 85 N 5.30 -6.91 0.00 4.32 8.00 -1.26 -4.82 116.55 121.18 1df3 n ASP 85 Ca -0.03 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1df3 n ASP 85 Cb 0.46 -5.09 0.00 0.00 -0.02 0.00 0.00 41.12 36.47 1df3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1df3 n GLY 86 N -1.43 -1.91 3.48 0.44 0.00 -1.26 -4.62 105.19 99.88 1df3 n GLY 86 Ca -0.05 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1df3 n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df3 s PHE 87 N 0.00 3.05 -1.00 1.61 0.08 -0.76 -4.40 117.98 116.57 1df3 s PHE 87 Ca 0.00 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 56.54 1df3 s PHE 87 Cb 0.00 -3.44 0.16 0.00 -0.57 0.00 0.00 43.02 39.17 1df3 s PHE 87 CO 0.00 -0.97 1.16 -0.80 -0.10 0.00 0.00 175.22 174.51 1df3 s ASN 88 N 2.40 6.80 -0.46 1.36 0.01 -0.68 -1.88 114.94 122.49 1df3 s ASN 88 Ca 0.18 -2.46 -0.22 0.00 -0.71 0.00 0.00 52.86 49.65 1df3 s ASN 88 Cb -0.17 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1df3 s ASN 88 CO 0.15 -0.87 0.71 0.42 -1.51 0.00 0.00 177.10 176.00 1df3 s THR 89 N 1.85 4.74 0.01 1.60 -4.23 -0.80 -2.38 115.64 116.42 1df3 s THR 89 Ca 0.33 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1df3 s THR 89 Cb -0.05 -4.28 -0.02 0.00 1.34 0.00 0.00 72.50 69.49 1df3 s THR 89 CO -0.07 -0.70 -0.19 0.72 -0.54 0.00 0.00 174.62 173.84 1df3 s PHE 90 N 3.05 1.66 0.07 3.99 -0.12 -0.87 -2.19 117.98 123.58 1df3 s PHE 90 Ca 0.25 -0.33 0.06 0.00 -0.05 0.00 0.00 56.93 56.86 1df3 s PHE 90 Cb -0.14 -1.04 -0.03 0.00 -0.63 0.00 0.00 43.02 41.18 1df3 s PHE 90 CO 0.20 0.01 -0.17 0.95 -0.05 0.00 0.00 175.22 176.15 1df3 s THR 91 N -0.56 1.38 -0.49 -4.49 -4.23 -0.91 -2.20 115.64 104.14 1df3 s THR 91 Ca 0.07 -1.33 -0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1df3 s THR 91 Cb -0.08 -1.27 0.13 0.00 1.34 0.00 0.00 72.50 72.62 1df3 s THR 91 CO 0.00 -0.09 0.37 -0.63 -0.54 0.00 0.00 174.62 173.73 1df3 s ILE 92 N -1.12 4.29 0.03 2.99 1.01 -1.26 -2.02 121.20 125.11 1df3 s ILE 92 Ca 0.02 -1.84 -0.19 0.00 0.00 0.00 0.00 60.65 58.64 1df3 s ILE 92 Cb -0.10 -3.82 -0.20 0.00 0.01 0.00 0.00 42.46 38.36 1df3 s ILE 92 CO 0.03 -0.80 1.19 1.55 0.00 0.00 0.00 174.94 176.91 1df3 h PRO 93 N 8.40 0.47 -2.87 2.79 0.13 -1.79 -2.60 132.00 136.52 1df3 h PRO 93 Ca -0.20 -0.41 -0.61 0.00 -0.87 0.00 0.00 66.00 63.91 1df3 h PRO 93 Cb 1.07 0.09 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1df3 h PRO 93 CO 0.86 1.05 -0.73 0.15 -0.23 0.00 0.00 178.00 179.11 1df3 s LYS 94 N -3.54 1.76 -0.40 0.86 3.01 -1.24 -3.49 119.74 116.70 1df3 s LYS 94 Ca -0.13 -2.69 -0.20 0.00 -1.01 0.00 0.00 55.97 51.94 1df3 s LYS 94 Cb 0.05 -2.62 0.01 0.00 -1.01 0.00 0.00 37.83 34.26 1df3 s LYS 94 CO 0.82 -1.28 0.60 -0.08 0.51 0.00 0.00 175.35 175.92 1df3 s THR 95 N -0.61 4.89 0.25 2.17 -1.32 -0.95 -1.65 115.64 118.43 1df3 s THR 95 Ca 0.25 0.22 0.12 0.00 -1.21 0.00 0.00 61.69 61.07 1df3 s THR 95 Cb -0.07 -4.12 -0.00 0.00 -1.51 0.00 0.00 72.50 66.80 1df3 s THR 95 CO -0.14 -0.45 1.63 -0.78 -2.21 0.00 0.00 174.62 172.67 1df3 h ASP 96 N 8.70 0.00 -6.22 8.08 3.58 -1.80 -2.36 116.42 126.41 1df3 h ASP 96 Ca -0.26 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.73 1df3 h ASP 96 Cb 1.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1df3 h ASP 96 CO 0.85 0.58 -0.78 0.00 -2.88 0.00 0.00 179.24 177.02 1df3 n TYR 97 N -3.75 -2.20 0.09 0.28 0.18 -1.14 -4.41 117.16 106.21 1df3 n TYR 97 Ca -0.01 0.89 0.00 0.00 1.88 0.00 0.00 57.90 60.66 1df3 n TYR 97 Cb 0.60 -4.16 0.00 0.00 -0.38 0.00 0.00 39.34 35.41 1df3 n TYR 97 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1df3 n ASP 98 N -2.92 -1.58 -0.04 9.48 -0.08 -1.26 -4.93 116.55 115.22 1df3 n ASP 98 Ca -0.07 0.60 -0.04 0.00 -1.51 0.00 0.00 54.79 53.77 1df3 n ASP 98 Cb 0.58 1.74 -0.01 0.00 2.34 0.00 0.00 41.12 45.77 1df3 n ASP 98 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1df3 n ASN 99 N -3.08 0.98 -4.38 1.67 3.02 -1.26 -4.62 115.26 107.59 1df3 n ASN 99 Ca 0.00 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.55 1df3 n ASN 99 Cb 0.00 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 38.44 1df3 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1df3 s PHE 100 N -1.86 1.87 -0.29 3.10 -0.71 -1.26 -2.22 117.98 116.60 1df3 s PHE 100 Ca -0.12 -1.12 -0.03 0.00 -1.04 0.00 0.00 56.93 54.63 1df3 s PHE 100 Cb 0.02 -1.35 0.17 0.00 -1.21 0.00 0.00 43.02 40.65 1df3 s PHE 100 CO 0.18 -0.06 0.59 -1.17 -1.34 0.00 0.00 175.22 173.42 1df3 s LEU 101 N -3.69 -1.28 -0.47 -1.99 0.20 -0.17 -2.23 118.68 109.06 1df3 s LEU 101 Ca 0.20 0.94 -0.24 0.00 0.69 0.00 0.00 54.13 55.72 1df3 s LEU 101 Cb 0.03 2.09 0.03 0.00 -0.43 0.00 0.00 46.19 47.91 1df3 s LEU 101 CO 0.11 -0.26 0.85 -0.04 -0.29 0.00 0.00 176.35 176.73 1df3 s MET 102 N 2.84 3.44 -0.02 1.98 -1.94 -0.66 -1.51 119.30 123.42 1df3 s MET 102 Ca 0.16 -0.04 -0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1df3 s MET 102 Cb -0.14 -3.95 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 1df3 s MET 102 CO -0.20 -1.20 0.05 0.00 -0.01 0.00 0.00 175.02 173.65 1df3 s ALA 103 N 3.52 3.45 -0.15 3.03 0.00 -0.78 -3.09 121.76 127.75 1df3 s ALA 103 Ca 0.32 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1df3 s ALA 103 Cb -0.11 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1df3 s ALA 103 CO 0.23 0.66 -0.04 -1.58 0.00 0.00 0.00 175.76 175.04 1df3 s HIS 104 N -1.11 1.45 -0.11 0.00 2.46 -0.86 -1.48 115.29 115.64 1df3 s HIS 104 Ca 0.20 -0.89 -0.03 0.00 0.47 0.00 0.00 55.06 54.81 1df3 s HIS 104 Cb -0.12 -1.20 -0.03 0.00 -0.13 0.00 0.00 32.58 31.10 1df3 s HIS 104 CO 0.11 -0.56 0.01 -1.17 -2.47 0.00 0.00 174.74 170.66 1df3 s LEU 105 N 1.72 3.62 -0.32 8.88 0.20 -0.73 -2.13 118.68 129.91 1df3 s LEU 105 Ca 0.02 0.11 0.02 0.00 0.69 0.00 0.00 54.13 54.97 1df3 s LEU 105 Cb -0.15 -1.85 0.09 0.00 -0.43 0.00 0.00 46.19 43.85 1df3 s LEU 105 CO -0.07 0.32 0.02 -0.63 -0.29 0.00 0.00 176.35 175.69 1df3 s ILE 106 N -0.50 2.42 0.01 6.68 1.09 -0.93 -1.18 121.20 128.79 1df3 s ILE 106 Ca 0.09 -2.03 -0.25 0.00 -1.10 0.00 0.00 60.65 57.36 1df3 s ILE 106 Cb -0.12 -2.64 -0.05 0.00 -1.06 0.00 0.00 42.46 38.60 1df3 s ILE 106 CO 0.02 -0.40 0.77 0.21 -0.10 0.00 0.00 174.94 175.44 1df3 s ASN 107 N 1.09 7.16 -0.18 3.58 3.84 -0.97 -1.90 114.94 127.57 1df3 s ASN 107 Ca 0.03 1.39 -0.00 0.00 0.21 0.00 0.00 52.86 54.49 1df3 s ASN 107 Cb -0.20 -2.46 0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1df3 s ASN 107 CO -0.06 -0.05 -0.05 -0.70 -2.79 0.00 0.00 177.10 173.45 1df3 s GLU 108 N 0.32 1.41 0.00 0.43 -6.30 -0.79 -1.79 118.70 111.98 1df3 s GLU 108 Ca 0.40 -0.61 0.00 0.00 -2.50 0.00 0.00 54.97 52.26 1df3 s GLU 108 Cb -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 34.13 31.79 1df3 s GLU 108 CO 0.22 -0.49 0.00 0.36 0.02 0.00 0.00 175.26 175.38 1df3 n LYS 109 N 4.85 3.04 -2.62 4.30 2.85 -0.98 -1.83 118.16 127.76 1df3 n LYS 109 Ca -0.12 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.72 1df3 n LYS 109 Cb 0.47 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.83 1df3 n LYS 109 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1df3 s ASP 110 N 0.97 6.70 -1.42 -5.58 2.15 -1.26 -4.23 116.67 114.00 1df3 s ASP 110 Ca 0.00 -2.04 -0.08 0.00 0.43 0.00 0.00 52.55 50.86 1df3 s ASP 110 Cb 0.00 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1df3 s ASP 110 CO 0.00 -1.28 0.60 0.61 -0.17 0.00 0.00 175.17 174.94 1df3 n GLY 111 N 5.94 -0.50 2.59 2.66 0.00 -1.26 -5.00 105.19 109.62 1df3 n GLY 111 Ca 0.40 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 1df3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 112 N -5.95 0.22 -0.35 1.61 2.02 -1.26 -5.12 118.70 109.88 1df3 s GLU 112 Ca 0.39 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.87 1df3 s GLU 112 Cb -0.19 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.02 1df3 s GLU 112 CO 0.48 -1.01 0.13 0.99 0.02 0.00 0.00 175.26 175.87 1df3 s THR 113 N 2.16 4.01 -0.17 3.63 2.01 -1.26 -2.32 115.64 123.69 1df3 s THR 113 Ca 0.09 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1df3 s THR 113 Cb -0.16 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1df3 s THR 113 CO -0.36 -0.18 -0.20 0.72 -0.69 0.00 0.00 174.62 173.92 1df3 s PHE 114 N 1.45 2.72 -0.22 4.92 -0.12 -0.74 -4.98 117.98 121.02 1df3 s PHE 114 Ca -0.00 -1.59 -0.21 0.00 -0.05 0.00 0.00 56.93 55.08 1df3 s PHE 114 Cb -0.19 -1.88 -0.02 0.00 -0.63 0.00 0.00 43.02 40.29 1df3 s PHE 114 CO 0.04 -0.79 0.63 1.14 -0.05 0.00 0.00 175.22 176.19 1df3 s GLN 115 N 1.28 4.18 -0.23 1.99 -2.07 -1.26 -2.28 119.66 121.27 1df3 s GLN 115 Ca 0.04 0.59 -0.01 0.00 -1.82 0.00 0.00 55.36 54.16 1df3 s GLN 115 Cb -0.13 -3.60 0.06 0.00 -1.09 0.00 0.00 33.01 28.25 1df3 s GLN 115 CO -0.12 -0.29 -0.00 -1.17 -1.32 0.00 0.00 175.29 172.38 1df3 s LEU 116 N 2.08 2.01 -0.15 2.60 0.20 -0.32 -2.22 118.68 122.88 1df3 s LEU 116 Ca 0.28 -1.08 -0.07 0.00 0.69 0.00 0.00 54.13 53.94 1df3 s LEU 116 Cb -0.16 -0.92 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 1df3 s LEU 116 CO 0.10 -0.28 0.11 -0.32 -0.29 0.00 0.00 176.35 175.67 1df3 s MET 117 N 1.59 3.69 -0.19 1.98 1.75 -0.62 -1.77 119.30 125.73 1df3 s MET 117 Ca -0.02 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 1df3 s MET 117 Cb -0.18 -3.23 0.04 0.00 2.84 0.00 0.00 34.83 34.31 1df3 s MET 117 CO -0.08 0.56 -0.09 0.20 -0.65 0.00 0.00 175.02 174.96 1df3 s GLY 118 N -0.42 1.18 -0.34 2.11 0.00 -0.55 -1.96 107.32 107.34 1df3 s GLY 118 Ca 0.11 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1df3 s GLY 118 CO 0.02 0.78 1.24 -2.27 0.00 0.00 0.00 173.10 172.86 1df3 s LEU 119 N 1.46 3.83 0.15 0.66 2.96 -0.42 -1.86 118.68 125.46 1df3 s LEU 119 Ca -0.01 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 55.02 1df3 s LEU 119 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1df3 s LEU 119 CO -0.08 -1.09 -0.13 -0.31 -1.32 0.00 0.00 176.35 173.42 1df3 s TYR 120 N 4.32 2.62 0.02 5.38 2.02 -0.57 -0.89 117.35 130.26 1df3 s TYR 120 Ca 0.53 -0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.91 1df3 s TYR 120 Cb -0.14 -1.33 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1df3 s TYR 120 CO 0.23 0.46 0.20 0.20 -1.57 0.00 0.00 175.55 175.08 1df3 s GLY 121 N -2.51 0.01 0.13 0.71 0.00 -0.63 -1.00 107.32 104.03 1df3 s GLY 121 Ca 0.22 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1df3 s GLY 121 CO 0.13 -0.33 1.62 3.21 0.00 0.00 0.00 173.10 177.73 1df3 h ARG 122 N 3.68 0.65 -7.08 2.90 2.47 -1.67 -1.16 114.38 114.17 1df3 h ARG 122 Ca -0.31 -0.16 -0.48 0.00 -1.26 0.00 0.00 59.98 57.76 1df3 h ARG 122 Cb 1.19 -0.08 0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1df3 h ARG 122 CO 0.45 0.68 0.40 -1.21 0.56 0.00 0.00 179.97 180.86 1df3 s GLU 123 N -5.27 3.62 0.59 0.04 2.02 -1.26 -4.73 118.70 113.71 1df3 s GLU 123 Ca -0.13 1.46 0.29 0.00 0.02 0.00 0.00 54.97 56.60 1df3 s GLU 123 Cb 0.10 -2.06 1.50 0.00 0.10 0.00 0.00 34.13 33.77 1df3 s GLU 123 CO 0.77 -0.60 1.92 -1.35 0.02 0.00 0.00 175.26 176.02 1df3 h PRO 124 N 1.40 0.00 -3.32 0.39 0.11 -1.94 -3.43 132.00 125.21 1df3 h PRO 124 Ca -0.50 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1df3 h PRO 124 Cb 1.24 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.07 1df3 h PRO 124 CO 0.58 0.00 -0.55 0.16 -0.21 0.00 0.00 178.00 177.99 1df3 s ASP 125 N -5.29 -0.16 0.48 -2.05 -4.77 -1.26 -4.68 116.67 98.94 1df3 s ASP 125 Ca -0.04 0.32 0.08 0.00 -3.30 0.00 0.00 52.55 49.61 1df3 s ASP 125 Cb 0.16 0.30 0.04 0.00 -1.09 0.00 0.00 42.92 42.32 1df3 s ASP 125 CO 0.55 -0.08 0.65 -0.76 0.70 0.00 0.00 175.17 176.24 1df3 s LEU 126 N 0.34 3.47 0.53 2.11 1.43 -1.26 -5.08 118.68 120.21 1df3 s LEU 126 Ca -0.02 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.36 1df3 s LEU 126 Cb -0.03 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.76 1df3 s LEU 126 CO -0.01 -0.97 1.10 -0.55 0.23 0.00 0.00 176.35 176.15 1df3 s SER 127 N -4.45 5.91 0.42 2.29 0.15 -1.26 -4.94 113.70 111.82 1df3 s SER 127 Ca 0.57 2.10 0.11 0.00 0.70 0.00 0.00 55.95 59.43 1df3 s SER 127 Cb -0.09 -2.57 0.95 0.00 -1.71 0.00 0.00 66.02 62.60 1df3 s SER 127 CO 0.35 -1.08 2.01 -1.28 1.20 0.00 0.00 173.24 174.44 1df3 h SER 128 N 1.31 0.42 -0.38 5.45 0.87 -1.99 -2.76 113.55 116.47 1df3 h SER 128 Ca -0.50 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 1df3 h SER 128 Cb 1.25 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 1df3 h SER 128 CO 0.58 0.28 0.19 -2.24 -0.53 0.00 0.00 176.83 175.10 1df3 h ASP 129 N 0.48 0.49 -0.26 6.23 2.03 -2.00 -1.77 116.42 121.63 1df3 h ASP 129 Ca 0.23 -0.12 0.01 0.00 -0.73 0.00 0.00 57.03 56.43 1df3 h ASP 129 Cb 0.30 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 1df3 h ASP 129 CO -0.06 0.47 0.14 0.40 -1.03 0.00 0.00 179.24 179.16 1df3 h ILE 130 N 0.48 1.01 -0.90 4.15 2.04 -1.92 -2.44 117.51 119.93 1df3 h ILE 130 Ca 0.13 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1df3 h ILE 130 Cb 0.10 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1df3 h ILE 130 CO -0.02 0.05 0.58 0.11 0.00 0.00 0.00 178.15 178.88 1df3 h LYS 131 N 0.29 0.78 -0.66 2.37 1.57 -1.51 -2.32 116.57 117.10 1df3 h LYS 131 Ca 0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1df3 h LYS 131 Cb 0.01 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1df3 h LYS 131 CO -0.06 0.51 0.43 1.49 -0.57 0.00 0.00 179.45 181.25 1df3 h GLU 132 N 0.80 0.83 -0.65 3.15 4.22 -1.12 -2.01 114.58 119.80 1df3 h GLU 132 Ca 0.44 -0.05 0.13 0.00 0.08 0.00 0.00 59.36 59.96 1df3 h GLU 132 Cb 0.57 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1df3 h GLU 132 CO -0.20 0.55 0.11 0.00 -2.18 0.00 0.00 179.01 177.29 1df3 h ARG 133 N 0.86 0.22 -0.51 1.92 2.47 -0.94 -1.71 114.38 116.68 1df3 h ARG 133 Ca 0.25 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1df3 h ARG 133 Cb -0.06 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 1df3 h ARG 133 CO -0.07 0.14 0.34 0.35 0.56 0.00 0.00 179.97 181.29 1df3 h PHE 134 N 0.22 0.64 -0.04 3.04 3.57 -1.33 -2.13 116.94 120.92 1df3 h PHE 134 Ca 0.35 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 1df3 h PHE 134 Cb 0.56 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1df3 h PHE 134 CO -0.28 0.41 0.02 0.00 -2.23 0.00 0.00 178.31 176.22 1df3 h ALA 135 N 1.19 0.05 -0.43 2.41 0.00 -1.03 -0.03 119.26 121.43 1df3 h ALA 135 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1df3 h ALA 135 Cb -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1df3 h ALA 135 CO -0.04 -0.38 -0.03 0.37 0.00 0.00 0.00 179.25 179.17 1df3 h GLN 136 N -0.07 0.07 -0.74 0.00 -0.00 -1.41 -2.58 115.11 110.38 1df3 h GLN 136 Ca 0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.72 1df3 h GLN 136 Cb 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.56 1df3 h GLN 136 CO -0.00 0.05 0.49 1.25 0.00 0.00 0.00 178.83 180.62 1df3 h LEU 137 N 0.08 0.72 0.12 -2.39 5.85 -1.37 -2.55 115.31 115.76 1df3 h LEU 137 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1df3 h LEU 137 Cb 0.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1df3 h LEU 137 CO -0.38 0.47 -0.11 0.00 -0.34 0.00 0.00 178.44 178.09 1df3 h GLU 139 N -0.24 1.18 -0.84 0.00 4.81 -1.50 -0.92 114.58 117.07 1df3 h GLU 139 Ca 0.00 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1df3 h GLU 139 Cb 0.22 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1df3 h GLU 139 CO -0.02 0.84 0.54 1.49 -0.73 0.00 0.00 179.01 181.13 1df3 h GLU 140 N 1.19 1.05 -0.02 1.92 4.57 -1.38 -3.30 114.58 118.61 1df3 h GLU 140 Ca 0.31 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1df3 h GLU 140 Cb -0.03 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1df3 h GLU 140 CO -0.06 0.69 -0.26 0.45 -1.18 0.00 0.00 179.01 178.66 1df3 h HIS 141 N 1.08 0.30 0.00 0.92 3.86 -1.21 -3.49 115.15 116.60 1df3 h HIS 141 Ca 0.32 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1df3 h HIS 141 Cb -0.04 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1df3 h HIS 141 CO -0.02 0.91 0.00 0.41 0.86 0.00 0.00 177.93 180.09 1df3 n GLY 142 N 0.90 0.59 3.01 2.45 0.00 -0.56 -5.12 105.19 106.47 1df3 n GLY 142 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1df3 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1df3 s ILE 143 N -1.02 1.61 0.66 -0.61 1.01 -0.46 -4.91 121.20 117.48 1df3 s ILE 143 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 1df3 s ILE 143 Cb 0.00 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 1df3 s ILE 143 CO 0.00 0.36 1.21 -0.76 0.00 0.00 0.00 174.94 175.75 1df3 s LEU 144 N 1.45 3.49 0.57 2.97 1.43 -1.26 -3.68 118.68 123.66 1df3 s LEU 144 Ca 0.03 2.38 0.32 0.00 -1.03 0.00 0.00 54.13 55.82 1df3 s LEU 144 Cb -0.14 -4.59 1.74 0.00 0.03 0.00 0.00 46.19 43.22 1df3 s LEU 144 CO -0.10 -1.91 2.17 0.08 0.23 0.00 0.00 176.35 176.82 1df3 h ARG 145 N 0.31 0.00 -0.09 1.70 0.11 -1.96 -3.26 114.38 111.20 1df3 h ARG 145 Ca -0.49 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.53 1df3 h ARG 145 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 1df3 h ARG 145 CO 0.53 0.06 -0.23 0.93 0.10 0.00 0.00 179.97 181.36 1df3 h GLU 146 N 0.00 0.14 0.00 0.08 4.39 -2.01 -2.98 114.58 114.21 1df3 h GLU 146 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1df3 h GLU 146 Cb 0.20 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1df3 h GLU 146 CO 0.01 0.37 -0.09 -2.95 -1.16 0.00 0.00 179.01 175.19 1df3 h ASN 147 N 0.13 0.00 -3.15 1.42 7.08 -1.88 -3.48 115.58 115.71 1df3 h ASN 147 Ca 0.02 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.67 1df3 h ASN 147 Cb 0.48 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.67 1df3 h ASN 147 CO 0.03 0.09 1.08 -0.63 -2.08 0.00 0.00 177.43 175.92 1df3 s ILE 148 N -3.44 3.87 -0.21 6.14 1.01 -1.13 -4.71 121.20 122.74 1df3 s ILE 148 Ca 0.03 0.92 -0.13 0.00 0.00 0.00 0.00 60.65 61.47 1df3 s ILE 148 Cb 0.08 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1df3 s ILE 148 CO 0.62 -0.64 0.29 -0.63 0.00 0.00 0.00 174.94 174.58 1df3 s ILE 149 N 5.41 5.28 -0.58 2.92 1.01 -1.21 -5.06 121.20 128.96 1df3 s ILE 149 Ca 0.63 0.47 -0.20 0.00 0.00 0.00 0.00 60.65 61.55 1df3 s ILE 149 Cb -0.16 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.77 1df3 s ILE 149 CO 0.31 0.30 0.74 -1.81 0.00 0.00 0.00 174.94 174.48 1df3 s ASP 150 N 1.00 6.20 -1.36 3.58 1.01 -1.26 -2.84 116.67 123.00 1df3 s ASP 150 Ca 0.14 -1.15 -0.09 0.00 0.71 0.00 0.00 52.55 52.15 1df3 s ASP 150 Cb -0.14 -2.33 0.11 0.00 1.01 0.00 0.00 42.92 41.57 1df3 s ASP 150 CO 0.06 -1.12 2.19 0.18 0.21 0.00 0.00 175.17 176.69 1df3 n LEU 151 N 6.60 7.31 -3.86 1.23 7.99 -0.48 -4.74 117.00 131.04 1df3 n LEU 151 Ca -0.07 -4.61 -0.29 0.00 -0.01 0.00 0.00 56.01 51.04 1df3 n LEU 151 Cb 0.44 -1.48 -0.13 0.00 -0.11 0.00 0.00 43.42 42.14 1df3 n LEU 151 CO 0.59 1.60 -0.13 -0.44 -1.51 0.00 0.00 177.39 177.50 1df3 s SER 152 N 1.22 4.28 -0.76 -1.43 0.01 -1.23 -4.12 113.70 111.67 1df3 s SER 152 Ca 0.48 -3.35 -0.02 0.00 1.31 0.00 0.00 55.95 54.37 1df3 s SER 152 Cb 0.14 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 1df3 s SER 152 CO -0.04 -0.17 0.69 -3.20 0.41 0.00 0.00 173.24 170.93 1df3 n ASN 153 N 2.64 -6.58 0.00 2.44 2.85 -1.26 -5.04 115.26 110.31 1df3 n ASN 153 Ca 0.14 -0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1df3 n ASN 153 Cb 0.35 -4.68 0.00 0.00 1.24 0.00 0.00 39.78 36.69 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1df3 n ALA 154 N -2.27 2.06 -3.22 5.20 0.00 -1.26 -4.89 120.51 116.12 1df3 n ALA 154 Ca -0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1df3 n ALA 154 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1df3 n ALA 154 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1df3 n ASN 155 N -2.35 2.96 -4.91 0.00 5.15 -1.26 -5.12 115.26 109.74 1df3 n ASN 155 Ca 0.00 -3.32 -0.28 0.00 -0.60 0.00 0.00 54.58 50.38 1df3 n ASN 155 Cb 0.00 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.59 1df3 n ASN 155 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1df3 s ARG 156 N -2.51 3.62 0.01 1.20 3.52 -1.26 -4.84 118.95 118.69 1df3 s ARG 156 Ca 0.42 0.02 -0.09 0.00 -0.13 0.00 0.00 55.73 55.95 1df3 s ARG 156 Cb 0.21 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.95 1df3 s ARG 156 CO -0.07 0.16 0.96 0.00 -0.81 0.00 0.00 175.30 175.54 1df3 n LEU 158 N -2.96 -3.56 -2.26 0.00 4.77 -1.26 -5.00 117.00 106.73 1df3 n LEU 158 Ca -0.04 1.21 -0.02 0.00 -0.03 0.00 0.00 56.01 57.13 1df3 n LEU 158 Cb 0.12 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.82 1df3 n LEU 158 CO 0.09 -0.51 -0.38 0.00 -1.33 0.00 0.00 177.39 175.26 1df3 n GLN 159 N 0.43 -2.66 -3.23 3.23 6.02 -1.26 -4.73 117.38 115.18 1df3 n GLN 159 Ca 0.00 2.23 -0.07 0.00 -0.01 0.00 0.00 57.00 59.15 1df3 n GLN 159 Cb 0.00 -3.80 0.01 0.00 1.02 0.00 0.00 30.24 27.47 1df3 n GLN 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1df3 n ALA 160 N 0.77 -2.55 -3.76 -1.58 0.00 -1.26 -5.06 120.51 107.08 1df3 n ALA 160 Ca -0.13 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1df3 n ALA 160 Cb 0.20 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 1df3 n ALA 160 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1df3 s ARG 161 N -3.60 0.01 0.00 0.00 1.81 -1.26 -5.16 118.95 110.74 1df3 s ARG 161 Ca 0.07 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.35 1df3 s ARG 161 Cb -0.02 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.25 1df3 s ARG 161 CO 0.78 -0.18 0.00 -1.91 -0.68 0.00 0.00 175.30 173.31