#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df3 s GLU 2 N 0.00 4.29 -0.03 5.31 2.02 -1.25 -4.11 118.70 124.93 1df3 s GLU 2 Ca 0.00 1.68 -0.00 0.00 0.02 0.00 0.00 54.97 56.67 1df3 s GLU 2 Cb 0.00 -3.67 0.03 0.00 0.10 0.00 0.00 34.13 30.59 1df3 s GLU 2 CO 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 175.26 174.71 1df3 s ALA 3 N 2.88 0.26 -0.17 5.21 0.00 -0.72 -4.90 121.76 124.31 1df3 s ALA 3 Ca 0.56 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 1df3 s ALA 3 Cb -0.23 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1df3 s ALA 3 CO 0.18 -0.15 0.42 -1.12 0.00 0.00 0.00 175.76 175.09 1df3 s SER 4 N 1.23 6.52 -1.18 0.00 0.01 -0.75 -1.93 113.70 117.60 1df3 s SER 4 Ca -0.07 0.62 -0.20 0.00 1.31 0.00 0.00 55.95 57.60 1df3 s SER 4 Cb -0.13 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 63.91 1df3 s SER 4 CO -0.02 -0.05 1.64 -0.55 0.41 0.00 0.00 173.24 174.66 1df3 s SER 5 N 0.88 6.63 0.00 2.44 0.15 -0.65 -4.14 113.70 119.01 1df3 s SER 5 Ca 0.21 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.85 1df3 s SER 5 Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1df3 s SER 5 CO 0.08 -1.38 0.00 1.07 1.20 0.00 0.00 173.24 174.21 1df3 n THR 6 N 6.65 0.00 0.00 6.45 5.66 -1.26 -4.00 114.28 127.78 1df3 n THR 6 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1df3 n THR 6 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.40 2.73 2.75 1.09 0.00 -1.26 -3.69 105.19 105.41 1df3 n GLY 7 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1df3 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df3 n ARG 8 N 0.00 3.93 -2.83 1.61 5.12 -1.26 -4.78 116.66 118.46 1df3 n ARG 8 Ca 0.00 -4.71 -0.11 0.00 -1.93 0.00 0.00 57.85 51.10 1df3 n ARG 8 Cb 0.00 -2.36 0.04 0.00 -1.16 0.00 0.00 32.46 28.98 1df3 n ARG 8 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1df3 n ASN 9 N 0.39 -2.12 -3.64 0.55 6.94 -1.26 -5.12 115.26 111.00 1df3 n ASN 9 Ca 0.34 -3.32 -0.08 0.00 -0.02 0.00 0.00 54.58 51.50 1df3 n ASN 9 Cb 0.35 1.38 -0.07 0.00 -2.36 0.00 0.00 39.78 39.08 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1df3 s PHE 10 N 0.14 -0.74 -0.22 -2.53 5.36 -1.26 -1.80 117.98 116.93 1df3 s PHE 10 Ca 0.30 1.63 -0.05 0.00 -0.96 0.00 0.00 56.93 57.85 1df3 s PHE 10 Cb 0.25 0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 43.32 1df3 s PHE 10 CO -0.17 -0.36 -0.01 -0.80 -1.46 0.00 0.00 175.22 172.41 1df3 s ASN 11 N 0.90 4.57 0.02 6.13 -0.87 -1.26 -5.01 114.94 119.42 1df3 s ASN 11 Ca -0.04 -0.31 -0.25 0.00 -1.57 0.00 0.00 52.86 50.69 1df3 s ASN 11 Cb -0.05 -1.79 -0.18 0.00 -0.02 0.00 0.00 41.25 39.22 1df3 s ASN 11 CO -0.10 0.00 1.43 -0.37 -2.57 0.00 0.00 177.10 175.49 1df3 h VAL 12 N 5.59 1.11 -0.58 1.60 -1.51 -2.01 -3.32 116.25 117.13 1df3 h VAL 12 Ca -0.39 -0.64 0.08 0.00 -1.23 0.00 0.00 66.70 64.52 1df3 h VAL 12 Cb 1.17 1.53 -0.06 0.00 -2.13 0.00 0.00 31.29 31.79 1df3 h VAL 12 CO 0.60 0.16 0.23 -0.33 -1.23 0.00 0.00 177.57 177.00 1df3 h GLU 13 N -0.38 0.42 0.00 5.19 3.07 -1.98 -2.89 114.58 118.01 1df3 h GLU 13 Ca -0.01 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1df3 h GLU 13 Cb 0.33 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1df3 h GLU 13 CO 0.02 0.28 -0.18 0.87 -1.40 0.00 0.00 179.01 178.59 1df3 h LYS 14 N 0.43 0.00 -0.99 2.33 1.57 -1.98 -3.19 116.57 114.74 1df3 h LYS 14 Ca 0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1df3 h LYS 14 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1df3 h LYS 14 CO -0.27 0.18 0.01 0.44 -0.57 0.00 0.00 179.45 179.24 1df3 n ILE 15 N -3.47 0.57 -3.67 1.86 -5.35 -1.09 -4.85 119.36 103.35 1df3 n ILE 15 Ca -0.01 -0.06 -0.37 0.00 -0.27 0.00 0.00 62.75 62.05 1df3 n ILE 15 Cb 0.35 -0.73 -0.11 0.00 -1.74 0.00 0.00 39.64 37.41 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 0.43 5.80 0.00 7.28 2.47 -1.21 -4.70 114.94 125.01 1df3 s ASN 16 Ca 0.02 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1df3 s ASN 16 Cb 0.02 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 1df3 s ASN 16 CO 0.00 -0.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.98 1df3 n GLY 17 N 4.80 0.38 3.68 1.21 0.00 -0.86 -5.02 105.19 109.37 1df3 n GLY 17 Ca -0.15 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1df3 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 18 N -2.00 4.38 -0.03 1.61 2.12 -1.26 -1.94 118.70 121.58 1df3 s GLU 18 Ca 0.00 1.40 -0.00 0.00 0.36 0.00 0.00 54.97 56.73 1df3 s GLU 18 Cb 0.00 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1df3 s GLU 18 CO 0.00 -0.40 0.03 -1.58 -0.54 0.00 0.00 175.26 172.77 1df3 s TRP 19 N 2.31 0.11 0.11 5.30 0.52 -1.15 -4.48 118.94 121.66 1df3 s TRP 19 Ca 0.48 0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.77 1df3 s TRP 19 Cb -0.18 -0.34 -0.04 0.00 -1.15 0.00 0.00 33.47 31.76 1df3 s TRP 19 CO 0.15 -0.13 0.05 -1.01 0.02 0.00 0.00 176.95 176.04 1df3 s HIS 20 N 1.32 3.07 0.16 -1.98 3.76 -0.19 -3.46 115.29 117.97 1df3 s HIS 20 Ca -0.06 -0.00 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 1df3 s HIS 20 Cb -0.13 -1.54 -0.07 0.00 1.11 0.00 0.00 32.58 31.95 1df3 s HIS 20 CO -0.03 0.50 1.06 0.99 -0.85 0.00 0.00 174.74 176.41 1df3 s THR 21 N -1.46 4.04 0.07 1.30 2.01 -1.26 -1.52 115.64 118.81 1df3 s THR 21 Ca 0.28 1.76 -0.00 0.00 0.31 0.00 0.00 61.69 64.04 1df3 s THR 21 Cb -0.11 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1df3 s THR 21 CO 0.21 0.30 -0.00 -0.38 -0.69 0.00 0.00 174.62 174.06 1df3 n ILE 22 N 2.42 0.82 -3.77 1.82 2.08 -0.41 -4.19 119.36 118.13 1df3 n ILE 22 Ca 0.02 0.27 -0.26 0.00 0.56 0.00 0.00 62.75 63.34 1df3 n ILE 22 Cb 0.47 -1.56 -0.17 0.00 -0.75 0.00 0.00 39.64 37.63 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 -2.00 0.57 -0.34 1.39 1.01 -1.03 -2.37 121.20 118.42 1df3 s ILE 23 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1df3 s ILE 23 Cb 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1df3 s ILE 23 CO 0.00 0.00 0.23 -0.22 0.00 0.00 0.00 174.94 174.96 1df3 s LEU 24 N 1.86 4.50 -0.11 2.97 2.96 -1.21 -1.23 118.68 128.42 1df3 s LEU 24 Ca 0.01 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1df3 s LEU 24 Cb -0.15 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1df3 s LEU 24 CO -0.07 -0.24 -0.10 0.00 -1.32 0.00 0.00 176.35 174.62 1df3 s ALA 25 N 1.71 1.41 -0.07 5.97 0.00 -0.83 -4.03 121.76 125.92 1df3 s ALA 25 Ca 0.06 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1df3 s ALA 25 Cb -0.17 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1df3 s ALA 25 CO 0.10 -0.29 -0.19 0.45 0.00 0.00 0.00 175.76 175.83 1df3 s SER 26 N 1.44 3.62 0.19 0.00 0.15 -1.26 -1.40 113.70 116.44 1df3 s SER 26 Ca 0.01 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 1df3 s SER 26 Cb -0.13 -0.99 0.21 0.00 -1.71 0.00 0.00 66.02 63.40 1df3 s SER 26 CO -0.06 0.27 1.75 -0.78 1.20 0.00 0.00 173.24 175.61 1df3 h ASP 27 N 5.92 0.20 0.65 5.45 3.58 -1.73 -2.56 116.42 127.94 1df3 h ASP 27 Ca -0.36 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 1df3 h ASP 27 Cb 1.17 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 1df3 h ASP 27 CO 0.50 0.14 -0.20 0.50 -2.88 0.00 0.00 179.24 177.29 1df3 h LYS 28 N 0.38 0.00 0.00 0.28 3.64 -1.90 -3.47 116.57 115.50 1df3 h LYS 28 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1df3 h LYS 28 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1df3 h LYS 28 CO -0.27 0.20 0.00 -2.13 -2.27 0.00 0.00 179.45 174.99 1df3 n ARG 29 N -3.54 0.00 -0.18 1.90 0.63 -0.97 -4.77 116.66 109.72 1df3 n ARG 29 Ca -0.01 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.14 1df3 n ARG 29 Cb 0.36 0.00 0.60 0.00 0.45 0.00 0.00 32.46 33.86 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 0.23 -0.26 -0.14 4.11 -1.93 -3.08 114.58 113.51 1df3 h GLU 30 Ca 0.00 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.28 1df3 h GLU 30 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1df3 h GLU 30 CO 0.00 0.15 -0.38 0.87 0.07 0.00 0.00 179.01 179.71 1df3 h LYS 31 N 0.23 0.59 0.00 1.06 1.79 -1.90 -3.16 116.57 115.18 1df3 h LYS 31 Ca 0.42 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1df3 h LYS 31 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1df3 h LYS 31 CO -0.10 0.88 -0.23 -0.84 -1.08 0.00 0.00 179.45 178.09 1df3 h ILE 32 N 0.49 0.00 -4.26 1.86 3.07 -1.67 -2.68 117.51 114.33 1df3 h ILE 32 Ca 0.05 -0.97 -0.46 0.00 1.55 0.00 0.00 64.86 65.03 1df3 h ILE 32 Cb 0.89 1.85 0.13 0.00 -0.27 0.00 0.00 36.82 39.42 1df3 h ILE 32 CO 0.08 0.00 0.32 -1.61 -1.05 0.00 0.00 178.15 175.89 1df3 s GLU 33 N -3.24 1.13 0.12 0.16 2.02 -1.17 -4.83 118.70 112.90 1df3 s GLU 33 Ca 0.06 0.19 -0.34 0.00 0.02 0.00 0.00 54.97 54.89 1df3 s GLU 33 Cb 0.06 -1.85 -0.17 0.00 0.10 0.00 0.00 34.13 32.28 1df3 s GLU 33 CO 0.69 -2.18 1.09 -3.47 0.02 0.00 0.00 175.26 171.41 1df3 n ASP 34 N -3.73 0.74 -3.45 -0.19 -0.08 -1.26 -2.34 116.55 106.23 1df3 n ASP 34 Ca 0.08 1.14 -0.18 0.00 -1.51 0.00 0.00 54.79 54.32 1df3 n ASP 34 Cb 0.60 -1.11 0.08 0.00 2.34 0.00 0.00 41.12 43.02 1df3 n ASP 34 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1df3 n ASN 35 N 1.96 -2.74 -3.85 1.67 3.02 -1.26 -5.03 115.26 109.03 1df3 n ASN 35 Ca 0.17 -0.67 -0.22 0.00 -0.03 0.00 0.00 54.58 53.83 1df3 n ASN 35 Cb 0.20 -4.94 -0.17 0.00 -0.61 0.00 0.00 39.78 34.26 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1df3 s GLY 36 N -4.18 0.50 0.00 7.41 0.00 -0.99 -4.89 107.32 105.16 1df3 s GLY 36 Ca 0.09 -0.13 0.16 0.00 0.00 0.00 0.00 44.72 44.83 1df3 s GLY 36 CO 0.75 0.70 1.47 1.16 0.00 0.00 0.00 173.10 177.18 1df3 n ASN 37 N 4.50 0.00 -3.31 1.64 6.94 -1.24 -3.41 115.26 120.37 1df3 n ASN 37 Ca -0.18 0.30 -0.28 0.00 -0.02 0.00 0.00 54.58 54.41 1df3 n ASN 37 Cb 0.50 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 1df3 n ASN 37 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1df3 n PHE 38 N -1.40 3.73 -3.41 -2.53 3.01 -1.01 -4.96 117.46 110.88 1df3 n PHE 38 Ca 0.05 -4.07 -0.45 0.00 1.01 0.00 0.00 57.45 54.00 1df3 n PHE 38 Cb 0.15 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.03 1df3 n PHE 38 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1df3 s ARG 39 N -2.77 3.45 -0.17 -1.08 0.52 -1.22 -3.97 118.95 113.72 1df3 s ARG 39 Ca 0.42 -2.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.07 1df3 s ARG 39 Cb 0.18 -4.30 0.04 0.00 0.52 0.00 0.00 34.95 31.39 1df3 s ARG 39 CO -0.04 -1.26 -0.08 -0.51 0.02 0.00 0.00 175.30 173.42 1df3 s LEU 40 N -0.04 1.77 -0.36 2.53 1.43 -1.26 -4.85 118.68 117.90 1df3 s LEU 40 Ca 0.19 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1df3 s LEU 40 Cb -0.12 -1.03 0.07 0.00 0.03 0.00 0.00 46.19 45.15 1df3 s LEU 40 CO -0.08 -0.15 0.11 -0.36 0.23 0.00 0.00 176.35 176.10 1df3 s PHE 41 N 1.56 3.40 0.20 0.29 0.40 -0.74 -4.90 117.98 118.17 1df3 s PHE 41 Ca 0.01 -2.00 -0.31 0.00 -0.60 0.00 0.00 56.93 54.03 1df3 s PHE 41 Cb -0.15 -2.63 -0.10 0.00 0.51 0.00 0.00 43.02 40.65 1df3 s PHE 41 CO -0.08 -0.86 1.48 -1.17 0.70 0.00 0.00 175.22 175.29 1df3 s LEU 42 N 1.24 4.38 -0.11 -0.37 2.96 -1.26 -1.45 118.68 124.07 1df3 s LEU 42 Ca 0.01 2.59 -0.08 0.00 -0.22 0.00 0.00 54.13 56.44 1df3 s LEU 42 Cb -0.21 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1df3 s LEU 42 CO -0.02 -0.74 -0.16 1.21 -1.32 0.00 0.00 176.35 175.32 1df3 n GLU 43 N 3.23 0.33 -3.58 1.98 2.13 -0.35 -4.02 120.64 120.36 1df3 n GLU 43 Ca 0.10 0.36 -0.17 0.00 0.66 0.00 0.00 57.16 58.12 1df3 n GLU 43 Cb 0.40 -1.34 -0.07 0.00 0.27 0.00 0.00 31.44 30.70 1df3 n GLU 43 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1df3 s GLN 44 N -2.00 0.95 -0.39 5.31 -2.07 -1.00 -2.92 119.66 117.54 1df3 s GLN 44 Ca -0.13 0.21 -0.11 0.00 -1.82 0.00 0.00 55.36 53.51 1df3 s GLN 44 Cb 0.02 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1df3 s GLN 44 CO 0.19 -0.28 0.22 0.42 -1.32 0.00 0.00 175.29 174.53 1df3 s ILE 45 N -1.10 4.53 -0.38 3.63 1.01 -0.82 -1.91 121.20 126.15 1df3 s ILE 45 Ca -0.11 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 1df3 s ILE 45 Cb -0.01 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1df3 s ILE 45 CO 0.08 -0.31 0.37 -2.28 0.00 0.00 0.00 174.94 172.80 1df3 s HIS 46 N 1.53 3.20 -0.43 3.97 2.46 -0.51 -2.03 115.29 123.49 1df3 s HIS 46 Ca 0.02 -0.23 -0.22 0.00 0.47 0.00 0.00 55.06 55.10 1df3 s HIS 46 Cb -0.20 -2.72 0.02 0.00 -0.13 0.00 0.00 32.58 29.55 1df3 s HIS 46 CO 0.06 -0.54 0.70 0.08 -2.47 0.00 0.00 174.74 172.57 1df3 s VAL 47 N 1.99 4.77 -0.02 0.89 1.01 -1.26 -1.40 120.40 126.37 1df3 s VAL 47 Ca 0.10 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1df3 s VAL 47 Cb -0.17 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1df3 s VAL 47 CO 0.12 -0.59 -0.09 -0.76 0.00 0.00 0.00 175.10 173.77 1df3 s LEU 48 N 2.99 3.02 0.01 3.92 1.43 -1.14 -5.02 118.68 123.89 1df3 s LEU 48 Ca 0.26 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1df3 s LEU 48 Cb -0.13 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1df3 s LEU 48 CO 0.20 0.32 1.53 -0.70 0.23 0.00 0.00 176.35 177.92 1df3 s GLU 49 N -1.10 4.23 0.00 1.70 2.12 -1.26 -2.03 118.70 122.36 1df3 s GLU 49 Ca 0.14 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1df3 s GLU 49 Cb -0.11 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1df3 s GLU 49 CO 0.04 -0.68 0.00 1.63 -0.54 0.00 0.00 175.26 175.71 1df3 n LYS 50 N 5.77 0.00 -3.72 4.30 5.02 -1.26 -5.06 118.16 123.21 1df3 n LYS 50 Ca 0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1df3 n LYS 50 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.33 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1df3 s SER 51 N 0.00 -0.48 -0.27 4.39 0.15 -0.86 -1.81 113.70 114.82 1df3 s SER 51 Ca 0.00 0.89 -0.25 0.00 0.70 0.00 0.00 55.95 57.29 1df3 s SER 51 Cb 0.00 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1df3 s SER 51 CO 0.00 -0.16 0.85 -0.22 1.20 0.00 0.00 173.24 174.91 1df3 s LEU 52 N 0.54 4.07 -0.57 3.45 2.96 -0.59 -2.88 118.68 125.65 1df3 s LEU 52 Ca -0.02 0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 54.63 1df3 s LEU 52 Cb -0.04 -3.20 0.10 0.00 0.50 0.00 0.00 46.19 43.54 1df3 s LEU 52 CO -0.03 -0.60 0.66 -0.69 -1.32 0.00 0.00 176.35 174.37 1df3 s VAL 53 N 2.99 4.89 -0.65 1.68 1.01 -0.49 -1.58 120.40 128.25 1df3 s VAL 53 Ca 0.36 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1df3 s VAL 53 Cb -0.15 -4.44 0.17 0.00 0.00 0.00 0.00 36.38 31.96 1df3 s VAL 53 CO 0.10 -1.04 0.58 -0.76 0.00 0.00 0.00 175.10 173.97 1df3 s LEU 54 N 2.50 6.26 -0.30 3.92 1.43 -0.46 -1.42 118.68 130.60 1df3 s LEU 54 Ca 0.10 -2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 50.73 1df3 s LEU 54 Cb -0.25 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1df3 s LEU 54 CO 0.06 -0.68 0.69 -0.54 0.23 0.00 0.00 176.35 176.12 1df3 s LYS 55 N 0.84 3.94 -0.26 1.70 -0.14 -0.80 -1.76 119.74 123.26 1df3 s LYS 55 Ca 0.11 0.43 0.02 0.00 -1.36 0.00 0.00 55.97 55.17 1df3 s LYS 55 Cb -0.21 -3.72 0.06 0.00 -1.68 0.00 0.00 37.83 32.28 1df3 s LYS 55 CO -0.03 -0.60 -0.10 -0.06 -0.76 0.00 0.00 175.35 173.80 1df3 s PHE 56 N 2.73 3.26 0.60 3.18 0.40 -0.41 -1.21 117.98 126.52 1df3 s PHE 56 Ca 0.28 -2.26 -0.19 0.00 -0.60 0.00 0.00 56.93 54.16 1df3 s PHE 56 Cb -0.15 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1df3 s PHE 56 CO 0.12 -0.87 1.23 -3.38 0.70 0.00 0.00 175.22 173.01 1df3 s HIS 57 N 1.12 2.35 -0.17 0.36 -3.43 -0.53 -0.83 115.29 114.16 1df3 s HIS 57 Ca -0.08 1.51 -0.13 0.00 -0.80 0.00 0.00 55.06 55.55 1df3 s HIS 57 Cb -0.20 -3.53 0.05 0.00 -1.43 0.00 0.00 32.58 27.48 1df3 s HIS 57 CO -0.05 -2.33 0.43 -0.08 -2.00 0.00 0.00 174.74 170.71 1df3 s THR 58 N -1.55 -0.01 -0.33 -5.38 -1.32 -0.94 -1.80 115.64 104.31 1df3 s THR 58 Ca 0.78 0.03 -0.19 0.00 -1.21 0.00 0.00 61.69 61.10 1df3 s THR 58 Cb -0.32 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1df3 s THR 58 CO 0.34 0.01 0.56 -0.69 -2.21 0.00 0.00 174.62 172.64 1df3 s VAL 59 N 0.65 4.98 -0.79 5.08 1.01 -1.26 -1.95 120.40 128.12 1df3 s VAL 59 Ca -0.03 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1df3 s VAL 59 Cb -0.05 -3.98 0.20 0.00 0.00 0.00 0.00 36.38 32.56 1df3 s VAL 59 CO -0.04 -0.18 0.67 0.54 0.00 0.00 0.00 175.10 176.08 1df3 n ARG 60 N 5.81 2.31 -3.37 2.72 1.74 -0.55 -4.76 116.66 120.56 1df3 n ARG 60 Ca -0.03 -4.52 -0.14 0.00 -0.77 0.00 0.00 57.85 52.39 1df3 n ARG 60 Cb 0.49 -2.34 0.02 0.00 -1.02 0.00 0.00 32.46 29.61 1df3 n ARG 60 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1df3 n ASP 61 N 1.93 -6.50 0.00 0.55 8.00 -1.26 -3.55 116.55 115.72 1df3 n ASP 61 Ca 0.22 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1df3 n ASP 61 Cb 0.36 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1df3 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1df3 n GLU 62 N -2.64 0.00 -3.00 -1.24 1.02 -1.26 -5.01 120.64 108.50 1df3 n GLU 62 Ca -0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 1df3 n GLU 62 Cb 0.58 -1.01 -0.05 0.00 -0.02 0.00 0.00 31.44 30.93 1df3 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1df3 s GLU 63 N 0.00 4.00 -0.85 3.49 2.56 -1.23 -5.02 118.70 121.64 1df3 s GLU 63 Ca 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 54.97 55.28 1df3 s GLU 63 Cb 0.00 -3.71 0.03 0.00 2.00 0.00 0.00 34.13 32.46 1df3 s GLU 63 CO 0.00 -0.59 1.38 0.00 -0.56 0.00 0.00 175.26 175.49 1df3 s SER 65 N 4.45 6.43 -0.46 0.00 0.01 -0.82 -4.80 113.70 118.51 1df3 s SER 65 Ca 0.41 0.51 -0.20 0.00 1.31 0.00 0.00 55.95 57.98 1df3 s SER 65 Cb -0.05 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 64.00 1df3 s SER 65 CO 0.05 -0.03 0.60 -1.83 0.41 0.00 0.00 173.24 172.44 1df3 s GLU 66 N 1.11 3.18 -0.36 12.44 -1.05 -1.26 -2.21 118.70 130.54 1df3 s GLU 66 Ca 0.18 -0.64 -0.27 0.00 -0.15 0.00 0.00 54.97 54.09 1df3 s GLU 66 Cb -0.14 -4.01 0.02 0.00 -0.44 0.00 0.00 34.13 29.55 1df3 s GLU 66 CO 0.07 -1.07 1.00 -1.17 0.95 0.00 0.00 175.26 175.04 1df3 s LEU 67 N 2.64 3.93 -0.50 1.83 1.98 -0.01 -4.83 118.68 123.71 1df3 s LEU 67 Ca 0.18 0.72 -0.17 0.00 -2.89 0.00 0.00 54.13 51.98 1df3 s LEU 67 Cb -0.17 -3.39 0.08 0.00 0.66 0.00 0.00 46.19 43.38 1df3 s LEU 67 CO 0.15 -0.91 0.48 -0.94 -1.89 0.00 0.00 176.35 173.24 1df3 s SER 68 N 1.87 6.17 -0.62 3.68 1.04 -1.26 -1.29 113.70 123.29 1df3 s SER 68 Ca 0.42 -1.34 -0.24 0.00 0.48 0.00 0.00 55.95 55.26 1df3 s SER 68 Cb -0.11 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.84 1df3 s SER 68 CO 0.19 -0.77 1.02 -0.04 0.98 0.00 0.00 173.24 174.62 1df3 s MET 69 N 1.90 3.25 -0.95 4.02 -1.94 -0.72 -4.92 119.30 119.94 1df3 s MET 69 Ca 0.06 -0.42 -0.18 0.00 -1.71 0.00 0.00 55.69 53.44 1df3 s MET 69 Cb -0.24 -4.13 0.14 0.00 2.01 0.00 0.00 34.83 32.61 1df3 s MET 69 CO 0.07 -1.71 1.12 0.08 -0.01 0.00 0.00 175.02 174.57 1df3 s VAL 70 N 4.32 4.84 -0.43 -6.03 1.01 -1.26 -1.36 120.40 121.50 1df3 s VAL 70 Ca 0.29 -1.76 -0.15 0.00 0.00 0.00 0.00 61.98 60.35 1df3 s VAL 70 Cb -0.13 -4.76 0.03 0.00 0.00 0.00 0.00 36.38 31.52 1df3 s VAL 70 CO 0.16 -1.47 0.33 0.00 0.00 0.00 0.00 175.10 174.12 1df3 s ALA 71 N 2.33 3.50 0.28 5.51 0.00 -0.61 -4.79 121.76 127.97 1df3 s ALA 71 Ca 0.32 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.20 1df3 s ALA 71 Cb -0.05 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 1df3 s ALA 71 CO -0.09 -1.54 0.94 -0.51 0.00 0.00 0.00 175.76 174.57 1df3 s ASP 72 N 1.92 7.49 -0.60 0.00 1.01 -0.96 -1.54 116.67 123.98 1df3 s ASP 72 Ca 0.05 1.90 -0.25 0.00 0.71 0.00 0.00 52.55 54.96 1df3 s ASP 72 Cb -0.20 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.17 1df3 s ASP 72 CO 0.09 0.04 1.06 -0.54 0.21 0.00 0.00 175.17 176.03 1df3 s LYS 73 N -1.62 3.33 0.28 8.23 1.02 -0.75 -2.09 119.74 128.14 1df3 s LYS 73 Ca 0.46 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 56.17 1df3 s LYS 73 Cb -0.22 -4.08 -0.06 0.00 -0.52 0.00 0.00 37.83 32.94 1df3 s LYS 73 CO 0.28 -1.67 0.58 0.95 -0.92 0.00 0.00 175.35 174.57 1df3 s THR 74 N 4.49 4.94 -1.33 2.17 -4.23 -0.92 -5.02 115.64 115.74 1df3 s THR 74 Ca 0.33 0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1df3 s THR 74 Cb -0.11 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.16 1df3 s THR 74 CO 0.19 -0.22 1.88 1.21 -0.54 0.00 0.00 174.62 177.14 1df3 n GLU 75 N -0.58 3.25 -3.03 3.99 2.13 -1.26 -4.34 120.64 120.79 1df3 n GLU 75 Ca 0.00 -3.24 -0.08 0.00 0.66 0.00 0.00 57.16 54.50 1df3 n GLU 75 Cb 0.53 -3.18 -0.02 0.00 0.27 0.00 0.00 31.44 29.04 1df3 n GLU 75 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1df3 s LYS 76 N 2.27 0.94 2.77 5.31 2.36 -1.26 -5.08 119.74 127.06 1df3 s LYS 76 Ca 0.45 -1.01 0.00 0.00 -2.55 0.00 0.00 55.97 52.86 1df3 s LYS 76 Cb 0.08 -0.30 0.00 0.00 -1.05 0.00 0.00 37.83 36.56 1df3 s LYS 76 CO -0.01 -1.29 0.00 0.00 1.55 0.00 0.00 175.35 175.60 1df3 n ALA 77 N 3.42 0.00 -2.69 3.13 0.00 -1.26 -2.75 120.51 120.35 1df3 n ALA 77 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1df3 n ALA 77 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.04 1df3 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df3 n GLY 78 N 0.00 1.51 3.86 0.00 0.00 -1.24 -4.57 105.19 104.74 1df3 n GLY 78 Ca 0.00 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 3.55 -0.21 1.61 2.12 -1.11 -4.44 118.70 118.22 1df3 s GLU 79 Ca 0.26 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1df3 s GLU 79 Cb 0.43 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1df3 s GLU 79 CO -0.01 0.71 -0.02 0.71 -0.54 0.00 0.00 175.26 176.11 1df3 s TYR 80 N -0.83 2.99 -0.26 5.30 2.02 -0.69 -2.16 117.35 123.70 1df3 s TYR 80 Ca 0.14 -0.72 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 1df3 s TYR 80 Cb -0.12 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1df3 s TYR 80 CO 0.03 -0.41 0.11 -1.54 -1.57 0.00 0.00 175.55 172.17 1df3 s SER 81 N 1.28 5.45 0.06 2.29 1.04 -0.89 -2.19 113.70 120.75 1df3 s SER 81 Ca 0.04 -0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 1df3 s SER 81 Cb -0.14 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1df3 s SER 81 CO -0.00 -0.04 0.14 0.54 0.98 0.00 0.00 173.24 174.86 1df3 s VAL 82 N 1.67 0.14 0.00 5.02 0.11 -0.96 -2.27 120.40 124.11 1df3 s VAL 82 Ca 0.07 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1df3 s VAL 82 Cb -0.15 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 1df3 s VAL 82 CO 0.06 -0.64 0.00 0.41 -3.33 0.00 0.00 175.10 171.60 1df3 n THR 83 N 0.32 0.00 -2.78 5.04 -1.04 -1.26 -1.45 114.28 113.10 1df3 n THR 83 Ca -0.17 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.83 1df3 n THR 83 Cb 0.61 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 1df3 n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1df3 n TYR 84 N 0.00 -3.36 -3.22 -1.42 9.36 -1.26 -2.99 117.16 114.27 1df3 n TYR 84 Ca 0.00 1.65 -0.06 0.00 3.32 0.00 0.00 57.90 62.80 1df3 n TYR 84 Cb 0.00 -3.41 0.01 0.00 -0.63 0.00 0.00 39.34 35.31 1df3 n TYR 84 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1df3 n ASP 85 N 1.16 -7.13 0.00 2.98 2.03 -1.26 -4.53 116.55 109.80 1df3 n ASP 85 Ca -0.11 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1df3 n ASP 85 Cb 0.24 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.03 1df3 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1df3 n GLY 86 N -1.71 0.84 3.17 0.27 0.00 -1.26 -4.93 105.19 101.56 1df3 n GLY 86 Ca -0.06 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1df3 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1df3 s PHE 87 N 0.00 -1.17 -0.14 1.61 2.19 -1.19 -4.76 117.98 114.52 1df3 s PHE 87 Ca 0.00 1.50 -0.10 0.00 0.33 0.00 0.00 56.93 58.66 1df3 s PHE 87 Cb 0.00 0.38 -0.05 0.00 -1.31 0.00 0.00 43.02 42.05 1df3 s PHE 87 CO 0.00 -0.72 0.19 0.54 1.83 0.00 0.00 175.22 177.05 1df3 s ASN 88 N 2.72 6.37 -0.08 6.13 2.20 -0.53 -2.24 114.94 129.51 1df3 s ASN 88 Ca 0.10 0.44 0.04 0.00 -0.94 0.00 0.00 52.86 52.49 1df3 s ASN 88 Cb -0.14 -2.11 0.00 0.00 -2.00 0.00 0.00 41.25 37.00 1df3 s ASN 88 CO -0.17 0.27 -0.20 0.42 -2.94 0.00 0.00 177.10 174.47 1df3 s THR 89 N -0.30 1.74 -0.07 0.54 -4.23 -0.98 -2.27 115.64 110.07 1df3 s THR 89 Ca 0.14 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1df3 s THR 89 Cb -0.12 -1.52 0.03 0.00 1.34 0.00 0.00 72.50 72.23 1df3 s THR 89 CO 0.03 0.49 0.02 0.72 -0.54 0.00 0.00 174.62 175.33 1df3 s PHE 90 N 0.38 0.55 0.20 3.99 -0.71 -0.93 -1.78 117.98 119.68 1df3 s PHE 90 Ca -0.16 -0.10 -0.22 0.00 -1.04 0.00 0.00 56.93 55.41 1df3 s PHE 90 Cb -0.17 -0.74 -0.08 0.00 -1.21 0.00 0.00 43.02 40.82 1df3 s PHE 90 CO 0.07 -0.31 0.75 0.95 -1.34 0.00 0.00 175.22 175.33 1df3 s THR 91 N 2.01 4.48 -0.47 -4.49 -4.23 -1.25 -1.71 115.64 109.98 1df3 s THR 91 Ca 0.05 1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 61.82 1df3 s THR 91 Cb -0.12 -3.97 0.04 0.00 1.34 0.00 0.00 72.50 69.78 1df3 s THR 91 CO -0.05 0.33 0.66 -0.63 -0.54 0.00 0.00 174.62 174.39 1df3 s ILE 92 N -1.37 4.81 0.03 2.99 1.01 -1.26 -3.68 121.20 123.74 1df3 s ILE 92 Ca 0.40 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1df3 s ILE 92 Cb -0.19 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.85 1df3 s ILE 92 CO 0.23 -0.70 1.42 1.55 0.00 0.00 0.00 174.94 177.44 1df3 h PRO 93 N 8.95 -0.33 -2.71 2.79 0.13 -1.86 -1.72 132.00 137.25 1df3 h PRO 93 Ca -0.26 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.35 1df3 h PRO 93 Cb 1.09 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 1df3 h PRO 93 CO 0.93 -0.06 -0.80 0.15 -0.23 0.00 0.00 178.00 177.99 1df3 s LYS 94 N -5.19 0.31 -0.18 0.86 3.01 -1.22 -3.79 119.74 113.53 1df3 s LYS 94 Ca -0.15 -0.78 -0.26 0.00 -1.01 0.00 0.00 55.97 53.77 1df3 s LYS 94 Cb 0.03 -1.20 -0.01 0.00 -1.01 0.00 0.00 37.83 35.65 1df3 s LYS 94 CO 0.60 -1.08 0.88 -0.08 0.51 0.00 0.00 175.35 176.18 1df3 s THR 95 N 1.77 4.84 -0.06 2.17 -1.32 -0.81 -1.87 115.64 120.34 1df3 s THR 95 Ca 0.12 1.72 0.13 0.00 -1.21 0.00 0.00 61.69 62.45 1df3 s THR 95 Cb -0.18 -4.18 -0.06 0.00 -1.51 0.00 0.00 72.50 66.57 1df3 s THR 95 CO -0.25 -0.02 1.27 -0.78 -2.21 0.00 0.00 174.62 172.63 1df3 h ASP 96 N 7.37 0.00 -6.47 8.08 3.58 -1.49 -1.93 116.42 125.56 1df3 h ASP 96 Ca -0.27 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.67 1df3 h ASP 96 Cb 1.12 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.07 1df3 h ASP 96 CO 0.86 0.69 -0.79 0.00 -2.88 0.00 0.00 179.24 177.12 1df3 n TYR 97 N -3.20 -2.07 0.07 0.28 0.18 -1.16 -3.09 117.16 108.16 1df3 n TYR 97 Ca -0.01 0.86 0.00 0.00 1.88 0.00 0.00 57.90 60.63 1df3 n TYR 97 Cb 0.83 -3.59 0.00 0.00 -0.38 0.00 0.00 39.34 36.20 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 -2.77 -1.20 -0.01 9.48 -0.08 -1.26 -4.94 116.55 115.76 1df3 n ASP 98 Ca 0.04 0.46 -0.01 0.00 -1.51 0.00 0.00 54.79 53.77 1df3 n ASP 98 Cb 0.52 1.37 -0.00 0.00 2.34 0.00 0.00 41.12 45.35 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 -2.87 0.24 -4.53 1.67 3.02 -1.26 -4.63 115.26 106.90 1df3 n ASN 99 Ca 0.00 0.18 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 1df3 n ASN 99 Cb 0.00 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.20 2.17 -0.23 3.10 -0.12 -1.26 -1.73 117.98 118.71 1df3 s PHE 100 Ca -0.03 -0.86 -0.03 0.00 -0.05 0.00 0.00 56.93 55.96 1df3 s PHE 100 Cb 0.00 -1.52 0.12 0.00 -0.63 0.00 0.00 43.02 40.99 1df3 s PHE 100 CO 0.04 0.19 0.30 -1.17 -0.05 0.00 0.00 175.22 174.53 1df3 s LEU 101 N -3.63 -0.36 -0.53 -1.99 0.20 -0.59 -1.74 118.68 110.05 1df3 s LEU 101 Ca 0.32 -0.10 -0.23 0.00 0.69 0.00 0.00 54.13 54.80 1df3 s LEU 101 Cb 0.08 0.72 0.04 0.00 -0.43 0.00 0.00 46.19 46.60 1df3 s LEU 101 CO 0.15 -0.32 0.87 -0.04 -0.29 0.00 0.00 176.35 176.72 1df3 s MET 102 N 2.43 3.31 0.15 1.98 -1.94 -0.78 -1.76 119.30 122.68 1df3 s MET 102 Ca 0.10 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1df3 s MET 102 Cb -0.15 -4.04 -0.04 0.00 2.01 0.00 0.00 34.83 32.61 1df3 s MET 102 CO -0.16 -1.39 0.30 0.00 -0.01 0.00 0.00 175.02 173.76 1df3 s ALA 103 N 3.65 3.94 -0.21 3.03 0.00 -1.00 -3.18 121.76 127.99 1df3 s ALA 103 Ca 0.28 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1df3 s ALA 103 Cb -0.13 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.24 1df3 s ALA 103 CO 0.19 0.55 0.21 -1.58 0.00 0.00 0.00 175.76 175.12 1df3 s HIS 104 N -1.74 -0.21 0.40 0.00 2.46 -1.24 -1.61 115.29 113.34 1df3 s HIS 104 Ca 0.35 0.10 0.02 0.00 0.47 0.00 0.00 55.06 56.01 1df3 s HIS 104 Cb -0.11 -0.42 -0.01 0.00 -0.13 0.00 0.00 32.58 31.90 1df3 s HIS 104 CO 0.29 -0.62 0.59 -0.48 -2.47 0.00 0.00 174.74 172.05 1df3 s LEU 105 N 2.30 3.81 -0.18 8.88 -0.00 -0.92 -3.88 118.68 128.69 1df3 s LEU 105 Ca 0.07 0.19 -0.03 0.00 -0.00 0.00 0.00 54.13 54.36 1df3 s LEU 105 Cb -0.16 -3.08 0.06 0.00 -0.00 0.00 0.00 46.19 43.01 1df3 s LEU 105 CO -0.13 -0.54 0.03 -0.63 -0.00 0.00 0.00 176.35 175.08 1df3 s ILE 106 N -2.40 0.50 -0.39 1.48 1.01 -0.73 -2.03 121.20 118.64 1df3 s ILE 106 Ca 0.45 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 1df3 s ILE 106 Cb -0.10 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1df3 s ILE 106 CO 0.36 -0.18 0.45 0.21 0.00 0.00 0.00 174.94 175.77 1df3 s ASN 107 N 1.87 6.22 -0.24 3.58 3.84 -0.92 -2.32 114.94 126.97 1df3 s ASN 107 Ca -0.00 -0.43 -0.11 0.00 0.21 0.00 0.00 52.86 52.52 1df3 s ASN 107 Cb -0.17 -2.23 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 1df3 s ASN 107 CO -0.08 -0.52 0.20 -1.61 -2.79 0.00 0.00 177.10 172.30 1df3 s GLU 108 N 2.20 4.08 0.00 0.43 8.01 -0.95 -2.30 118.70 130.17 1df3 s GLU 108 Ca 0.14 -0.21 0.00 0.00 0.01 0.00 0.00 54.97 54.91 1df3 s GLU 108 Cb -0.16 -3.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.11 1df3 s GLU 108 CO 0.13 0.03 0.00 0.36 0.01 0.00 0.00 175.26 175.79 1df3 n LYS 109 N 4.37 0.58 -2.41 1.61 2.85 -0.78 -3.17 118.16 121.21 1df3 n LYS 109 Ca -0.14 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.75 1df3 n LYS 109 Cb 0.52 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.86 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 1.00 6.11 -1.30 -5.58 2.15 -1.26 -3.92 116.67 113.87 1df3 s ASP 110 Ca 0.00 -1.31 -0.08 0.00 0.43 0.00 0.00 52.55 51.59 1df3 s ASP 110 Cb 0.00 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 40.11 1df3 s ASP 110 CO 0.00 -1.87 0.48 0.61 -0.17 0.00 0.00 175.17 174.22 1df3 n GLY 111 N 6.76 -0.49 2.78 2.66 0.00 -1.26 -5.00 105.19 110.65 1df3 n GLY 111 Ca 0.36 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -5.92 0.20 -0.17 1.61 2.02 -1.25 -5.14 118.70 110.05 1df3 s GLU 112 Ca 0.36 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.63 1df3 s GLU 112 Cb -0.19 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.00 1df3 s GLU 112 CO 0.45 -0.63 -0.18 0.99 0.02 0.00 0.00 175.26 175.91 1df3 s THR 113 N 2.35 2.28 -0.18 3.63 2.01 -1.26 -1.88 115.64 122.60 1df3 s THR 113 Ca 0.07 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1df3 s THR 113 Cb -0.15 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.43 1df3 s THR 113 CO -0.12 0.53 -0.10 0.72 -0.69 0.00 0.00 174.62 174.95 1df3 s PHE 114 N 1.16 2.24 -0.26 4.92 -0.71 -0.97 -4.89 117.98 119.46 1df3 s PHE 114 Ca 0.01 -1.42 -0.20 0.00 -1.04 0.00 0.00 56.93 54.28 1df3 s PHE 114 Cb -0.14 -1.58 -0.02 0.00 -1.21 0.00 0.00 43.02 40.08 1df3 s PHE 114 CO -0.08 -0.70 0.63 1.14 -1.34 0.00 0.00 175.22 174.87 1df3 s GLN 115 N 1.46 4.09 -0.19 1.99 -2.07 -1.26 -2.17 119.66 121.50 1df3 s GLN 115 Ca 0.01 0.52 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 1df3 s GLN 115 Cb -0.15 -3.66 0.01 0.00 -1.09 0.00 0.00 33.01 28.12 1df3 s GLN 115 CO -0.09 -0.44 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.11 1df3 s LEU 116 N 2.53 2.29 -0.20 2.60 0.20 -0.86 -1.78 118.68 123.46 1df3 s LEU 116 Ca 0.26 -0.59 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 1df3 s LEU 116 Cb -0.15 -1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 44.04 1df3 s LEU 116 CO 0.09 0.00 0.06 -0.32 -0.29 0.00 0.00 176.35 175.89 1df3 s MET 117 N 1.29 3.88 -0.25 1.98 1.75 -0.49 -2.16 119.30 125.30 1df3 s MET 117 Ca 0.04 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 1df3 s MET 117 Cb -0.13 -3.23 0.06 0.00 2.84 0.00 0.00 34.83 34.36 1df3 s MET 117 CO -0.10 0.15 -0.10 0.20 -0.65 0.00 0.00 175.02 174.52 1df3 s GLY 118 N 0.70 1.57 -0.38 2.11 0.00 -0.63 -1.97 107.32 108.72 1df3 s GLY 118 Ca 0.03 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 42.79 1df3 s GLY 118 CO 0.02 0.68 1.24 -2.27 0.00 0.00 0.00 173.10 172.77 1df3 s LEU 119 N 1.17 3.76 0.33 0.66 2.96 -0.37 -2.36 118.68 124.83 1df3 s LEU 119 Ca -0.08 0.89 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 1df3 s LEU 119 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1df3 s LEU 119 CO -0.05 -1.17 0.10 -0.31 -1.32 0.00 0.00 176.35 173.59 1df3 s TYR 120 N 4.50 2.68 -0.16 5.38 2.02 -0.72 -1.29 117.35 129.75 1df3 s TYR 120 Ca 0.53 -0.37 -0.23 0.00 -0.37 0.00 0.00 57.07 56.63 1df3 s TYR 120 Cb -0.13 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1df3 s TYR 120 CO 0.26 0.40 0.59 0.20 -1.57 0.00 0.00 175.55 175.44 1df3 s GLY 121 N -3.80 -0.45 0.21 0.71 0.00 -0.58 -1.54 107.32 101.87 1df3 s GLY 121 Ca 0.36 1.48 -0.10 0.00 0.00 0.00 0.00 44.72 46.46 1df3 s GLY 121 CO 0.22 1.21 1.88 3.21 0.00 0.00 0.00 173.10 179.62 1df3 h ARG 122 N 4.52 1.01 -7.10 2.90 2.47 -1.56 -0.49 114.38 116.13 1df3 h ARG 122 Ca -0.28 -0.07 -0.50 0.00 -1.26 0.00 0.00 59.98 57.87 1df3 h ARG 122 Cb 1.16 -0.22 0.08 0.00 -1.65 0.00 0.00 29.97 29.34 1df3 h ARG 122 CO 0.21 0.68 0.43 -1.21 0.56 0.00 0.00 179.97 180.64 1df3 s GLU 123 N -6.10 3.27 0.50 0.04 2.02 -1.26 -4.76 118.70 112.42 1df3 s GLU 123 Ca -0.13 1.59 0.26 0.00 0.02 0.00 0.00 54.97 56.72 1df3 s GLU 123 Cb 0.15 -2.00 1.35 0.00 0.10 0.00 0.00 34.13 33.73 1df3 s GLU 123 CO 0.78 -0.91 1.90 -1.35 0.02 0.00 0.00 175.26 175.70 1df3 h PRO 124 N 1.04 0.12 -3.10 0.39 0.11 -1.95 -3.43 132.00 125.18 1df3 h PRO 124 Ca -0.50 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1df3 h PRO 124 Cb 1.26 -0.03 -0.26 0.00 0.11 0.00 0.00 31.00 32.08 1df3 h PRO 124 CO 0.56 0.08 -0.43 0.34 -0.21 0.00 0.00 178.00 178.34 1df3 s ASP 125 N -5.74 -0.27 0.65 -2.05 3.68 -1.26 -4.72 116.67 106.96 1df3 s ASP 125 Ca -0.06 0.52 -0.02 0.00 2.13 0.00 0.00 52.55 55.12 1df3 s ASP 125 Cb 0.22 0.50 0.07 0.00 -1.45 0.00 0.00 42.92 42.26 1df3 s ASP 125 CO 0.77 -0.10 0.91 -0.76 0.13 0.00 0.00 175.17 176.12 1df3 s LEU 126 N 0.32 3.05 0.56 -1.34 1.43 -1.26 -5.10 118.68 116.33 1df3 s LEU 126 Ca -0.02 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 1df3 s LEU 126 Cb -0.03 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1df3 s LEU 126 CO -0.01 -1.49 1.15 -0.55 0.23 0.00 0.00 176.35 175.68 1df3 s SER 127 N -4.53 5.59 0.47 2.29 0.15 -1.26 -4.97 113.70 111.43 1df3 s SER 127 Ca 0.61 2.24 0.14 0.00 0.70 0.00 0.00 55.95 59.64 1df3 s SER 127 Cb -0.09 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.71 1df3 s SER 127 CO 0.42 -1.31 2.05 0.28 1.20 0.00 0.00 173.24 175.88 1df3 h SER 128 N 1.13 0.04 -0.20 5.45 0.02 -2.00 -2.97 113.55 115.02 1df3 h SER 128 Ca -0.50 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 1df3 h SER 128 Cb 1.27 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1df3 h SER 128 CO 0.56 0.13 -0.18 0.44 -1.14 0.00 0.00 176.83 176.65 1df3 h ASP 129 N 0.04 0.63 -0.24 3.07 5.19 -1.99 -1.31 116.42 121.80 1df3 h ASP 129 Ca 0.01 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1df3 h ASP 129 Cb 0.18 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1df3 h ASP 129 CO 0.01 0.82 0.15 0.40 -3.12 0.00 0.00 179.24 177.50 1df3 h ILE 130 N 0.56 1.09 -0.95 0.35 2.04 -1.93 -2.10 117.51 116.57 1df3 h ILE 130 Ca 0.09 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1df3 h ILE 130 Cb 0.63 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1df3 h ILE 130 CO 0.04 0.08 0.61 0.11 0.00 0.00 0.00 178.15 178.99 1df3 h LYS 131 N 0.31 1.08 -0.58 2.37 1.57 -1.48 -1.79 116.57 118.04 1df3 h LYS 131 Ca 0.09 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1df3 h LYS 131 Cb 0.01 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 1df3 h LYS 131 CO -0.02 0.71 0.34 0.93 -0.57 0.00 0.00 179.45 180.84 1df3 h GLU 132 N 1.11 0.64 -0.47 3.15 5.08 -1.23 -1.57 114.58 121.29 1df3 h GLU 132 Ca 0.41 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 1df3 h GLU 132 Cb 0.15 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1df3 h GLU 132 CO -0.17 0.42 0.13 0.00 -1.00 0.00 0.00 179.01 178.39 1df3 h ARG 133 N 0.66 0.27 -0.89 2.33 -0.00 -1.12 -2.25 114.38 113.38 1df3 h ARG 133 Ca 0.24 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.74 1df3 h ARG 133 Cb 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 29.97 29.93 1df3 h ARG 133 CO -0.12 0.18 0.59 0.35 0.00 0.00 0.00 179.97 180.96 1df3 h PHE 134 N 0.28 1.08 -0.18 3.04 3.57 -1.22 -1.75 116.94 121.76 1df3 h PHE 134 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1df3 h PHE 134 Cb 0.28 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1df3 h PHE 134 CO -0.19 0.64 0.04 0.00 -2.23 0.00 0.00 178.31 176.56 1df3 h ALA 135 N 1.47 0.24 -0.56 2.41 0.00 -1.12 -0.51 119.26 121.19 1df3 h ALA 135 Ca 0.35 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1df3 h ALA 135 Cb -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1df3 h ALA 135 CO -0.10 -0.11 0.31 0.37 0.00 0.00 0.00 179.25 179.72 1df3 h GLN 136 N 0.10 0.59 -0.71 0.00 -0.00 -1.42 -2.49 115.11 111.18 1df3 h GLN 136 Ca 0.06 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.74 1df3 h GLN 136 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.58 1df3 h GLN 136 CO 0.00 0.39 0.47 1.25 0.00 0.00 0.00 178.83 180.94 1df3 h LEU 137 N 0.60 0.64 0.04 -2.39 5.85 -1.36 -2.51 115.31 116.18 1df3 h LEU 137 Ca 0.24 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1df3 h LEU 137 Cb 0.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1df3 h LEU 137 CO -0.14 0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 178.25 1df3 h GLU 139 N -0.23 1.16 -0.72 0.00 4.22 -1.47 -0.18 114.58 117.36 1df3 h GLU 139 Ca 0.03 -0.07 0.03 0.00 0.08 0.00 0.00 59.36 59.43 1df3 h GLU 139 Cb 0.27 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1df3 h GLU 139 CO -0.10 0.77 0.45 1.49 -2.18 0.00 0.00 179.01 179.44 1df3 h GLU 140 N 1.20 0.85 -0.01 1.92 4.57 -1.34 -3.00 114.58 118.76 1df3 h GLU 140 Ca 0.36 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1df3 h GLU 140 Cb -0.04 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 1df3 h GLU 140 CO -0.11 0.56 -0.41 0.45 -1.18 0.00 0.00 179.01 178.33 1df3 h HIS 141 N 0.88 0.03 0.00 0.92 3.86 -1.17 -3.49 115.15 116.19 1df3 h HIS 141 Ca 0.29 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1df3 h HIS 141 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1df3 h HIS 141 CO -0.04 0.44 0.00 0.41 0.86 0.00 0.00 177.93 179.60 1df3 n GLY 142 N -0.33 1.48 3.51 2.45 0.00 -0.55 -5.11 105.19 106.64 1df3 n GLY 142 Ca -0.02 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 4.88 0.63 -0.61 1.01 -0.19 -4.99 121.20 119.93 1df3 s ILE 143 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 1df3 s ILE 143 Cb 0.00 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1df3 s ILE 143 CO 0.00 0.21 1.23 -0.76 0.00 0.00 0.00 174.94 175.62 1df3 s LEU 144 N 1.68 3.59 0.47 2.97 1.43 -1.26 -3.94 118.68 123.62 1df3 s LEU 144 Ca 0.06 2.45 0.26 0.00 -1.03 0.00 0.00 54.13 55.87 1df3 s LEU 144 Cb -0.16 -4.60 0.95 0.00 0.03 0.00 0.00 46.19 42.41 1df3 s LEU 144 CO 0.08 -1.80 1.83 0.03 0.23 0.00 0.00 176.35 176.73 1df3 h ARG 145 N 0.63 0.00 0.00 1.70 3.08 -1.97 -3.19 114.38 114.63 1df3 h ARG 145 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 1df3 h ARG 145 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1df3 h ARG 145 CO 0.54 0.15 -0.09 1.05 -1.07 0.00 0.00 179.97 180.55 1df3 h GLU 146 N 0.00 0.00 0.00 0.04 -0.00 -2.02 -2.93 114.58 109.67 1df3 h GLU 146 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1df3 h GLU 146 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.48 1df3 h GLU 146 CO 0.02 0.09 -0.05 -2.95 -0.00 0.00 0.00 179.01 176.12 1df3 h ASN 147 N 0.00 0.00 -2.64 3.06 7.08 -1.89 -3.46 115.58 117.74 1df3 h ASN 147 Ca -0.00 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.68 1df3 h ASN 147 Cb 0.17 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.36 1df3 h ASN 147 CO 0.01 0.05 1.16 -0.63 -2.08 0.00 0.00 177.43 175.94 1df3 s ILE 148 N -3.44 3.68 -0.20 6.14 1.01 -1.11 -4.62 121.20 122.66 1df3 s ILE 148 Ca 0.04 0.56 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 1df3 s ILE 148 Cb 0.07 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1df3 s ILE 148 CO 0.62 -1.10 0.12 -0.63 0.00 0.00 0.00 174.94 173.95 1df3 s ILE 149 N 6.63 5.23 -0.90 2.92 1.01 -1.26 -5.06 121.20 129.77 1df3 s ILE 149 Ca 0.56 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 61.16 1df3 s ILE 149 Cb -0.12 -3.39 0.15 0.00 0.01 0.00 0.00 42.46 39.11 1df3 s ILE 149 CO 0.24 0.43 1.05 -1.81 0.00 0.00 0.00 174.94 174.86 1df3 s ASP 150 N 0.48 6.64 -1.10 3.58 -0.00 -1.26 -3.29 116.67 121.72 1df3 s ASP 150 Ca 0.07 -2.13 -0.15 0.00 -0.00 0.00 0.00 52.55 50.33 1df3 s ASP 150 Cb -0.12 -2.36 0.17 0.00 -0.00 0.00 0.00 42.92 40.61 1df3 s ASP 150 CO -0.00 -0.98 1.29 -0.76 -0.00 0.00 0.00 175.17 174.71 1df3 s LEU 151 N 2.25 5.23 -0.18 1.23 2.01 -1.00 -4.79 118.68 123.43 1df3 s LEU 151 Ca 0.29 -2.75 0.14 0.00 0.01 0.00 0.00 54.13 51.82 1df3 s LEU 151 Cb -0.06 -2.38 0.38 0.00 0.01 0.00 0.00 46.19 44.14 1df3 s LEU 151 CO -0.09 -0.79 1.20 -1.54 1.01 0.00 0.00 176.35 176.13 1df3 n SER 152 N 5.60 1.90 0.00 2.29 3.41 -1.16 -3.09 113.62 122.57 1df3 n SER 152 Ca 0.31 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 1df3 n SER 152 Cb 0.45 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1df3 n SER 152 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1df3 n ASN 153 N -1.20 0.00 0.09 4.04 6.94 -1.26 -4.64 115.26 119.24 1df3 n ASN 153 Ca 0.18 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.58 1df3 n ASN 153 Cb 0.68 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 38.01 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1df3 h ALA 154 N 0.00 -0.92 -2.24 -2.53 0.00 -1.90 -3.18 119.26 108.50 1df3 h ALA 154 Ca 0.00 -0.09 -0.59 0.00 0.00 0.00 0.00 54.91 54.23 1df3 h ALA 154 Cb 0.00 0.87 -0.42 0.00 0.00 0.00 0.00 17.79 18.25 1df3 h ALA 154 CO 0.00 -1.09 -0.67 0.09 0.00 0.00 0.00 179.25 177.58 1df3 n ASN 155 N -5.48 3.96 -4.53 0.00 3.02 -1.26 -5.06 115.26 105.91 1df3 n ASN 155 Ca -0.08 -3.55 -0.38 0.00 -0.03 0.00 0.00 54.58 50.54 1df3 n ASN 155 Cb 0.40 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 1df3 n ASN 155 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1df3 s ARG 156 N -3.05 3.73 -1.22 3.52 3.52 -1.20 -4.67 118.95 119.58 1df3 s ARG 156 Ca 0.45 -0.46 -0.18 0.00 -0.13 0.00 0.00 55.73 55.42 1df3 s ARG 156 Cb 0.24 -3.62 0.10 0.00 -1.56 0.00 0.00 34.95 30.11 1df3 s ARG 156 CO -0.09 -0.26 1.58 0.00 -0.81 0.00 0.00 175.30 175.72 1df3 n LEU 158 N 7.62 0.00 -2.23 0.00 0.00 -1.26 -5.15 117.00 115.99 1df3 n LEU 158 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.40 1df3 n LEU 158 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 43.42 43.87 1df3 n LEU 158 CO 0.70 -0.02 -0.47 0.00 0.00 0.00 0.00 177.39 177.60 1df3 n GLN 159 N -1.05 -3.62 0.00 1.96 1.13 -1.26 -5.09 117.38 109.45 1df3 n GLN 159 Ca 0.00 2.82 0.00 0.00 -1.94 0.00 0.00 57.00 57.88 1df3 n GLN 159 Cb 0.00 -3.96 0.00 0.00 0.11 0.00 0.00 30.24 26.39 1df3 n GLN 159 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1df3 n ALA 160 N 1.32 2.93 -3.39 -1.58 0.00 -1.26 -5.09 120.51 113.44 1df3 n ALA 160 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1df3 n ALA 160 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1df3 n ALA 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1df3 s ARG 161 N -0.93 0.32 0.00 0.00 3.52 -1.26 -5.36 118.95 115.24 1df3 s ARG 161 Ca 0.00 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1df3 s ARG 161 Cb 0.00 -0.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.73 1df3 s ARG 161 CO 0.00 -0.80 0.00 -0.85 -0.81 0.00 0.00 175.30 172.84