#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 -1.46 -3.89 5.31 2.13 -1.07 -4.98 120.64 116.67 1df3 n GLU 2 Ca 0.00 1.46 -0.15 0.00 0.66 0.00 0.00 57.16 59.12 1df3 n GLU 2 Cb 0.00 -2.72 -0.16 0.00 0.27 0.00 0.00 31.44 28.83 1df3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1df3 s ALA 3 N -0.59 0.20 -0.03 4.31 0.00 -1.01 -4.84 121.76 119.81 1df3 s ALA 3 Ca -0.02 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1df3 s ALA 3 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1df3 s ALA 3 CO 0.31 -0.05 0.99 -1.12 0.00 0.00 0.00 175.76 175.89 1df3 s SER 4 N 0.75 7.33 -0.95 0.00 0.01 -1.25 -3.67 113.70 115.92 1df3 s SER 4 Ca -0.07 1.63 -0.24 0.00 1.31 0.00 0.00 55.95 58.59 1df3 s SER 4 Cb -0.10 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.59 1df3 s SER 4 CO -0.02 -0.31 1.51 -0.55 0.41 0.00 0.00 173.24 174.28 1df3 s SER 5 N 1.04 6.22 0.03 2.44 0.15 -0.78 -4.04 113.70 118.76 1df3 s SER 5 Ca 0.51 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1df3 s SER 5 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1df3 s SER 5 CO 0.25 -1.76 0.00 1.07 1.20 0.00 0.00 173.24 174.00 1df3 n THR 6 N 6.96 0.00 -2.44 6.45 5.66 -1.07 -4.33 114.28 125.51 1df3 n THR 6 Ca 0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 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 -1.10 1.19 3.49 1.09 0.00 -1.26 -4.38 105.19 104.21 1df3 n GLY 7 Ca 0.00 -2.01 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 1df3 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1df3 s ARG 8 N -1.91 3.88 0.28 1.61 0.52 -1.26 -4.14 118.95 117.94 1df3 s ARG 8 Ca 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 1df3 s ARG 8 Cb 0.00 -5.12 0.00 0.00 0.52 0.00 0.00 34.95 30.35 1df3 s ARG 8 CO 0.00 -1.89 0.00 -1.71 0.02 0.00 0.00 175.30 171.72 1df3 n ASN 9 N 6.64 -2.53 -4.73 0.23 5.15 -1.26 -5.13 115.26 113.62 1df3 n ASN 9 Ca 0.34 0.65 -0.41 0.00 -0.60 0.00 0.00 54.58 54.57 1df3 n ASN 9 Cb 0.46 2.52 -0.04 0.00 -0.53 0.00 0.00 39.78 42.19 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1df3 s PHE 10 N -2.00 3.52 -0.31 1.20 5.36 -1.26 -4.99 117.98 119.50 1df3 s PHE 10 Ca 0.00 1.50 -0.11 0.00 -0.96 0.00 0.00 56.93 57.36 1df3 s PHE 10 Cb 0.00 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.32 1df3 s PHE 10 CO 0.00 -0.87 0.19 1.21 -1.46 0.00 0.00 175.22 174.29 1df3 s ASN 11 N 0.20 5.78 0.20 6.13 2.47 -1.26 -5.01 114.94 123.45 1df3 s ASN 11 Ca 0.52 -0.39 -0.11 0.00 0.42 0.00 0.00 52.86 53.31 1df3 s ASN 11 Cb -0.30 -2.07 0.17 0.00 -1.45 0.00 0.00 41.25 37.61 1df3 s ASN 11 CO 0.34 -0.18 1.84 -0.37 -3.72 0.00 0.00 177.10 175.01 1df3 h VAL 12 N 5.54 1.07 0.00 -5.21 -1.51 -2.01 -3.25 116.25 110.89 1df3 h VAL 12 Ca -0.33 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1df3 h VAL 12 Cb 1.16 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1df3 h VAL 12 CO 0.61 0.14 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.75 1df3 h GLU 13 N 0.78 0.00 -0.16 5.19 5.08 -1.95 -2.46 114.58 121.07 1df3 h GLU 13 Ca 0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1df3 h GLU 13 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1df3 h GLU 13 CO -0.11 0.02 -0.17 0.87 -1.00 0.00 0.00 179.01 178.62 1df3 h LYS 14 N 0.00 0.26 -0.96 2.33 1.57 -1.99 -3.13 116.57 114.64 1df3 h LYS 14 Ca -0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1df3 h LYS 14 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1df3 h LYS 14 CO 0.00 0.43 0.02 0.44 -0.57 0.00 0.00 179.45 179.77 1df3 n ILE 15 N -4.23 0.58 -3.16 1.86 -5.35 -0.93 -4.85 119.36 103.28 1df3 n ILE 15 Ca -0.01 -0.18 -0.45 0.00 -0.27 0.00 0.00 62.75 61.84 1df3 n ILE 15 Cb 0.30 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.55 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 0.13 6.19 0.00 7.28 2.47 -1.19 -4.67 114.94 125.16 1df3 s ASN 16 Ca 0.06 -1.46 0.00 0.00 0.42 0.00 0.00 52.86 51.89 1df3 s ASN 16 Cb 0.05 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1df3 s ASN 16 CO 0.02 -1.03 0.00 0.61 -3.72 0.00 0.00 177.10 172.98 1df3 n GLY 17 N 5.26 -0.78 3.70 1.21 0.00 -1.09 -5.02 105.19 108.48 1df3 n GLY 17 Ca -0.10 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.61 4.51 -0.09 1.61 8.01 -1.26 -2.01 118.70 127.86 1df3 s GLU 18 Ca 0.00 1.41 -0.03 0.00 0.01 0.00 0.00 54.97 56.36 1df3 s GLU 18 Cb 0.00 -3.49 0.04 0.00 -4.31 0.00 0.00 34.13 26.37 1df3 s GLU 18 CO 0.00 -0.15 0.06 -1.58 0.01 0.00 0.00 175.26 173.59 1df3 s TRP 19 N 1.40 0.26 -0.11 1.61 0.52 -1.16 -4.60 118.94 116.86 1df3 s TRP 19 Ca 0.50 -0.02 -0.12 0.00 0.02 0.00 0.00 56.10 56.48 1df3 s TRP 19 Cb -0.20 -0.62 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 1df3 s TRP 19 CO 0.24 -0.32 0.28 -1.01 0.02 0.00 0.00 176.95 176.17 1df3 s HIS 20 N 2.11 3.55 -0.60 -1.98 3.76 -0.07 -4.02 115.29 118.05 1df3 s HIS 20 Ca 0.04 0.67 -0.27 0.00 -0.15 0.00 0.00 55.06 55.35 1df3 s HIS 20 Cb -0.13 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.31 1df3 s HIS 20 CO -0.05 0.45 1.76 0.99 -0.85 0.00 0.00 174.74 177.04 1df3 s THR 21 N -0.23 3.44 -0.03 1.30 2.01 -1.26 -1.22 115.64 119.64 1df3 s THR 21 Ca 0.18 0.29 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 1df3 s THR 21 Cb -0.14 -4.05 -0.20 0.00 0.01 0.00 0.00 72.50 68.12 1df3 s THR 21 CO 0.06 -0.98 1.22 0.40 -0.69 0.00 0.00 174.62 174.62 1df3 h ILE 22 N 6.75 1.43 -3.96 1.82 1.08 -1.30 -3.37 117.51 119.97 1df3 h ILE 22 Ca -0.27 -1.31 -0.35 0.00 -0.39 0.00 0.00 64.86 62.55 1df3 h ILE 22 Cb 1.15 2.29 -0.27 0.00 -3.07 0.00 0.00 36.82 36.91 1df3 h ILE 22 CO 1.21 0.35 -0.76 -0.63 -0.69 0.00 0.00 178.15 177.62 1df3 s ILE 23 N -4.02 0.56 -0.24 -0.67 1.01 -1.03 -1.34 121.20 115.46 1df3 s ILE 23 Ca -0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1df3 s ILE 23 Cb 0.01 -0.49 0.08 0.00 0.01 0.00 0.00 42.46 42.07 1df3 s ILE 23 CO 0.69 0.07 0.07 -0.22 0.00 0.00 0.00 174.94 175.55 1df3 s LEU 24 N -0.39 1.38 -0.08 2.97 2.96 -1.09 -1.86 118.68 122.57 1df3 s LEU 24 Ca 0.01 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 1df3 s LEU 24 Cb -0.04 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 46.04 1df3 s LEU 24 CO -0.00 -0.36 -0.05 0.00 -1.32 0.00 0.00 176.35 174.62 1df3 s ALA 25 N 1.83 0.97 -0.03 5.97 0.00 -1.26 -4.06 121.76 125.17 1df3 s ALA 25 Ca 0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1df3 s ALA 25 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1df3 s ALA 25 CO -0.17 -0.24 -0.18 0.45 0.00 0.00 0.00 175.76 175.62 1df3 s SER 26 N 1.42 2.20 0.23 0.00 0.15 -1.26 -2.17 113.70 114.27 1df3 s SER 26 Ca -0.02 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 1df3 s SER 26 Cb -0.13 -0.48 0.28 0.00 -1.71 0.00 0.00 66.02 63.98 1df3 s SER 26 CO -0.03 0.18 1.85 -0.78 1.20 0.00 0.00 173.24 175.66 1df3 h ASP 27 N 6.03 0.80 -0.08 5.45 3.58 -1.58 -2.33 116.42 128.29 1df3 h ASP 27 Ca -0.34 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1df3 h ASP 27 Cb 1.16 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1df3 h ASP 27 CO 0.48 0.53 0.02 0.11 -2.88 0.00 0.00 179.24 177.49 1df3 h LYS 28 N 0.94 0.19 0.00 0.28 1.79 -1.96 -3.48 116.57 114.33 1df3 h LYS 28 Ca 0.34 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1df3 h LYS 28 Cb 0.10 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1df3 h LYS 28 CO -0.15 0.20 0.00 0.54 -1.08 0.00 0.00 179.45 178.96 1df3 n ARG 29 N -4.44 0.00 0.09 3.15 3.00 -0.88 -4.66 116.66 112.92 1df3 n ARG 29 Ca -0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.85 58.04 1df3 n ARG 29 Cb 0.14 0.00 0.71 0.00 0.00 0.00 0.00 32.46 33.31 1df3 n ARG 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1df3 h GLU 30 N 0.00 0.00 0.07 5.56 4.11 -1.93 -2.98 114.58 119.41 1df3 h GLU 30 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1df3 h GLU 30 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1df3 h GLU 30 CO 0.00 0.00 -0.03 0.87 0.07 0.00 0.00 179.01 179.92 1df3 h LYS 31 N 0.00 -0.09 0.00 1.06 1.79 -1.90 -3.32 116.57 114.12 1df3 h LYS 31 Ca 0.20 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1df3 h LYS 31 Cb 1.27 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1df3 h LYS 31 CO -0.00 0.10 -0.05 0.44 -1.08 0.00 0.00 179.45 178.86 1df3 n ILE 32 N -5.05 0.05 -1.72 1.86 -6.64 -1.13 -2.00 119.36 104.74 1df3 n ILE 32 Ca -0.08 -0.02 -0.30 0.00 -1.77 0.00 0.00 62.75 60.58 1df3 n ILE 32 Cb 0.14 -0.44 0.18 0.00 -1.44 0.00 0.00 39.64 38.08 1df3 n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1df3 s GLU 33 N -3.01 0.46 -0.06 6.28 2.02 -1.22 -4.76 118.70 118.41 1df3 s GLU 33 Ca 0.13 -0.21 -0.37 0.00 0.02 0.00 0.00 54.97 54.54 1df3 s GLU 33 Cb 0.18 -1.81 -0.15 0.00 0.10 0.00 0.00 34.13 32.45 1df3 s GLU 33 CO 0.55 -2.57 1.58 -3.47 0.02 0.00 0.00 175.26 171.38 1df3 n ASP 34 N -3.92 2.30 -3.42 -0.19 2.03 -1.26 -2.26 116.55 109.83 1df3 n ASP 34 Ca 0.13 1.08 -0.18 0.00 0.52 0.00 0.00 54.79 56.34 1df3 n ASP 34 Cb 0.60 -1.22 0.09 0.00 -0.72 0.00 0.00 41.12 39.86 1df3 n ASP 34 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1df3 n ASN 35 N 4.17 -3.20 -4.89 1.67 5.15 -1.26 -5.04 115.26 111.86 1df3 n ASN 35 Ca 0.22 -0.59 -0.22 0.00 -0.60 0.00 0.00 54.58 53.39 1df3 n ASN 35 Cb 0.19 -5.01 -0.03 0.00 -0.53 0.00 0.00 39.78 34.40 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1df3 s GLY 36 N -4.05 1.36 -0.03 8.20 0.00 -0.96 -5.06 107.32 106.78 1df3 s GLY 36 Ca 0.16 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 1df3 s GLY 36 CO 0.71 -1.34 1.16 -0.57 0.00 0.00 0.00 173.10 173.06 1df3 h ASN 37 N 1.44 -0.09 -2.29 1.64 -1.24 -1.80 -3.18 115.58 110.06 1df3 h ASN 37 Ca -0.50 -0.43 -0.78 0.00 0.71 0.00 0.00 56.30 55.30 1df3 h ASN 37 Cb 1.23 0.02 -0.29 0.00 0.73 0.00 0.00 38.32 40.01 1df3 h ASN 37 CO 0.61 0.41 0.77 0.49 -1.29 0.00 0.00 177.43 178.43 1df3 n PHE 38 N -4.90 2.93 -3.07 0.67 3.01 -1.20 -4.74 117.46 110.16 1df3 n PHE 38 Ca -0.08 -2.78 -0.43 0.00 1.01 0.00 0.00 57.45 55.16 1df3 n PHE 38 Cb 0.26 -1.10 0.01 0.00 -0.01 0.00 0.00 39.48 38.64 1df3 n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1df3 n ARG 39 N -0.00 4.29 -3.86 -1.08 0.63 -0.84 -3.61 116.66 112.18 1df3 n ARG 39 Ca 0.43 -4.54 -0.36 0.00 -0.92 0.00 0.00 57.85 52.47 1df3 n ARG 39 Cb 0.28 -2.52 -0.13 0.00 0.45 0.00 0.00 32.46 30.54 1df3 n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1df3 s LEU 40 N -2.51 3.44 0.00 6.15 2.01 -1.26 -4.20 118.68 122.31 1df3 s LEU 40 Ca 0.31 -0.74 0.00 0.00 0.01 0.00 0.00 54.13 53.72 1df3 s LEU 40 Cb 0.02 -1.77 0.00 0.00 0.01 0.00 0.00 46.19 44.45 1df3 s LEU 40 CO 0.07 -0.14 0.00 0.49 1.01 0.00 0.00 176.35 177.78 1df3 n PHE 41 N 4.77 0.00 -3.34 0.29 3.72 -0.45 -4.81 117.46 117.64 1df3 n PHE 41 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.27 1df3 n PHE 41 Cb 0.48 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 1df3 n PHE 41 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1df3 s LEU 42 N 0.00 -0.10 -0.14 4.37 2.96 -1.26 -4.65 118.68 119.86 1df3 s LEU 42 Ca 0.00 0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 1df3 s LEU 42 Cb 0.00 1.12 -0.04 0.00 0.50 0.00 0.00 46.19 47.77 1df3 s LEU 42 CO 0.00 -0.02 -0.24 1.21 -1.32 0.00 0.00 176.35 175.98 1df3 n GLU 43 N 4.12 0.43 -3.63 1.98 0.00 -0.19 -4.33 120.64 119.02 1df3 n GLU 43 Ca -0.10 0.33 -0.14 0.00 0.00 0.00 0.00 57.16 57.25 1df3 n GLU 43 Cb 0.56 -1.44 -0.06 0.00 0.00 0.00 0.00 31.44 30.49 1df3 n GLU 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1df3 s GLN 44 N -2.40 0.93 -0.38 5.31 0.00 -1.02 -2.98 119.66 119.12 1df3 s GLN 44 Ca -0.20 -0.15 -0.17 0.00 -0.00 0.00 0.00 55.36 54.84 1df3 s GLN 44 Cb 0.03 0.42 0.00 0.00 0.00 0.00 0.00 33.01 33.47 1df3 s GLN 44 CO 0.29 -0.31 0.44 0.42 0.00 0.00 0.00 175.29 176.13 1df3 s ILE 45 N -1.95 5.09 -0.47 3.63 1.01 -0.85 -1.76 121.20 125.90 1df3 s ILE 45 Ca -0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 1df3 s ILE 45 Cb -0.02 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.54 1df3 s ILE 45 CO 0.02 -0.26 0.61 -2.28 0.00 0.00 0.00 174.94 173.03 1df3 s HIS 46 N 2.19 3.07 -0.36 3.97 2.46 -1.01 -2.65 115.29 122.96 1df3 s HIS 46 Ca 0.14 -0.31 -0.21 0.00 0.47 0.00 0.00 55.06 55.15 1df3 s HIS 46 Cb -0.16 -3.37 0.01 0.00 -0.13 0.00 0.00 32.58 28.92 1df3 s HIS 46 CO 0.13 -0.93 0.69 0.08 -2.47 0.00 0.00 174.74 172.24 1df3 s VAL 47 N 2.66 4.83 -0.05 0.89 1.01 -1.26 -1.27 120.40 127.21 1df3 s VAL 47 Ca 0.18 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1df3 s VAL 47 Cb -0.17 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1df3 s VAL 47 CO 0.15 -0.36 -0.14 -0.76 0.00 0.00 0.00 175.10 173.99 1df3 s LEU 48 N 2.85 2.76 -1.24 3.92 1.43 -1.13 -5.01 118.68 122.26 1df3 s LEU 48 Ca 0.27 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 1df3 s LEU 48 Cb -0.14 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1df3 s LEU 48 CO 0.16 0.34 1.69 -0.70 0.23 0.00 0.00 176.35 178.06 1df3 s GLU 49 N -0.69 3.87 0.00 1.70 2.12 -1.26 -1.88 118.70 122.56 1df3 s GLU 49 Ca 0.10 -1.79 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1df3 s GLU 49 Cb -0.11 -5.49 0.00 0.00 0.26 0.00 0.00 34.13 28.79 1df3 s GLU 49 CO 0.01 -2.29 0.00 0.36 -0.54 0.00 0.00 175.26 172.79 1df3 n LYS 50 N 8.50 0.00 -3.67 4.30 2.85 -1.26 -5.14 118.16 123.74 1df3 n LYS 50 Ca 0.46 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.60 1df3 n LYS 50 Cb 0.47 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.77 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 0.00 -0.67 -0.17 -5.58 0.15 -0.79 -3.34 113.70 103.31 1df3 s SER 51 Ca 0.00 1.22 -0.29 0.00 0.70 0.00 0.00 55.95 57.57 1df3 s SER 51 Cb 0.00 1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 65.49 1df3 s SER 51 CO 0.00 -0.21 1.20 -0.76 1.20 0.00 0.00 173.24 174.67 1df3 s LEU 52 N 0.71 4.18 -0.74 3.45 1.02 -0.81 -2.85 118.68 123.64 1df3 s LEU 52 Ca -0.03 1.63 -0.18 0.00 0.02 0.00 0.00 54.13 55.58 1df3 s LEU 52 Cb -0.05 -3.54 0.14 0.00 0.02 0.00 0.00 46.19 42.76 1df3 s LEU 52 CO -0.05 -0.72 0.83 -0.69 0.02 0.00 0.00 176.35 175.74 1df3 s VAL 53 N 3.27 5.00 -0.57 -1.59 1.01 -0.40 -1.67 120.40 125.44 1df3 s VAL 53 Ca 0.52 -1.51 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 1df3 s VAL 53 Cb -0.20 -4.56 0.09 0.00 0.00 0.00 0.00 36.38 31.71 1df3 s VAL 53 CO 0.14 -1.20 0.67 -0.76 0.00 0.00 0.00 175.10 173.95 1df3 s LEU 54 N 2.06 5.30 -1.01 3.92 1.43 -0.30 -2.40 118.68 127.68 1df3 s LEU 54 Ca 0.18 -1.30 -0.20 0.00 -1.03 0.00 0.00 54.13 51.78 1df3 s LEU 54 Cb -0.16 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 43.82 1df3 s LEU 54 CO -0.02 -1.04 1.32 -0.54 0.23 0.00 0.00 176.35 176.30 1df3 s LYS 55 N 2.63 3.65 0.88 1.70 -0.14 -0.72 -1.44 119.74 126.30 1df3 s LYS 55 Ca 0.12 -1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 53.04 1df3 s LYS 55 Cb -0.23 -5.15 0.16 0.00 -1.68 0.00 0.00 37.83 30.93 1df3 s LYS 55 CO 0.08 -1.98 1.22 -0.06 -0.76 0.00 0.00 175.35 173.85 1df3 s PHE 56 N 3.64 1.94 -0.23 3.18 0.08 -0.82 -1.03 117.98 124.74 1df3 s PHE 56 Ca 0.40 0.31 -0.11 0.00 0.12 0.00 0.00 56.93 57.65 1df3 s PHE 56 Cb -0.02 -3.77 0.08 0.00 -0.57 0.00 0.00 43.02 38.75 1df3 s PHE 56 CO -0.08 -2.25 0.55 -3.38 -0.10 0.00 0.00 175.22 169.95 1df3 s HIS 57 N -3.67 -0.92 0.16 0.36 -3.43 -1.26 -1.79 115.29 104.73 1df3 s HIS 57 Ca 0.70 1.80 -0.14 0.00 -0.80 0.00 0.00 55.06 56.61 1df3 s HIS 57 Cb -0.06 0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 31.51 1df3 s HIS 57 CO 0.50 -0.49 0.56 -0.08 -2.00 0.00 0.00 174.74 173.24 1df3 s THR 58 N 1.98 4.84 -0.39 -5.38 -1.32 -1.14 -1.34 115.64 112.89 1df3 s THR 58 Ca -0.08 0.83 0.03 0.00 -1.21 0.00 0.00 61.69 61.26 1df3 s THR 58 Cb -0.09 -3.73 0.11 0.00 -1.51 0.00 0.00 72.50 67.28 1df3 s THR 58 CO -0.16 0.20 0.12 -0.69 -2.21 0.00 0.00 174.62 171.88 1df3 s VAL 59 N -1.51 2.45 -0.87 5.08 1.01 -1.26 -2.83 120.40 122.47 1df3 s VAL 59 Ca 0.39 -2.57 -0.15 0.00 0.00 0.00 0.00 61.98 59.65 1df3 s VAL 59 Cb -0.15 -2.77 0.20 0.00 0.00 0.00 0.00 36.38 33.66 1df3 s VAL 59 CO 0.19 -0.66 0.88 -0.13 0.00 0.00 0.00 175.10 175.39 1df3 s ARG 60 N 0.61 3.64 -0.95 2.72 1.81 -1.04 -4.39 118.95 121.36 1df3 s ARG 60 Ca 0.12 -2.33 -0.07 0.00 -1.72 0.00 0.00 55.73 51.73 1df3 s ARG 60 Cb -0.21 -4.57 -0.03 0.00 -0.45 0.00 0.00 34.95 29.70 1df3 s ARG 60 CO -0.06 -1.41 0.79 -0.25 -0.68 0.00 0.00 175.30 173.69 1df3 n ASP 61 N 4.57 -6.52 0.00 0.23 8.00 -1.26 -3.46 116.55 118.11 1df3 n ASP 61 Ca 0.17 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1df3 n ASP 61 Cb 0.47 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -2.95 0.00 -3.05 -1.24 1.02 -1.26 -5.00 120.64 108.16 1df3 n GLU 62 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 1df3 n GLU 62 Cb 0.58 -2.45 -0.06 0.00 -0.02 0.00 0.00 31.44 29.49 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 -0.03 3.26 -0.51 3.49 -6.30 -1.22 -4.99 118.70 112.40 1df3 s GLU 63 Ca 0.00 -0.47 -0.21 0.00 -2.50 0.00 0.00 54.97 51.79 1df3 s GLU 63 Cb 0.00 -4.01 0.05 0.00 0.00 0.00 0.00 34.13 30.16 1df3 s GLU 63 CO 0.00 -1.18 0.74 0.00 0.02 0.00 0.00 175.26 174.84 1df3 s SER 65 N 2.65 3.02 -0.05 0.00 0.01 -1.13 -5.06 113.70 113.14 1df3 s SER 65 Ca 0.22 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 1df3 s SER 65 Cb -0.16 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 1df3 s SER 65 CO 0.16 0.23 0.55 -1.61 0.41 0.00 0.00 173.24 172.97 1df3 s GLU 66 N -0.09 4.30 -0.27 12.44 2.02 -1.26 -2.87 118.70 132.98 1df3 s GLU 66 Ca -0.06 0.62 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 1df3 s GLU 66 Cb -0.14 -3.37 0.04 0.00 0.10 0.00 0.00 34.13 30.75 1df3 s GLU 66 CO 0.04 0.29 -0.05 -1.17 0.02 0.00 0.00 175.26 174.40 1df3 s LEU 67 N 0.11 3.47 -0.18 1.80 0.20 -0.74 -4.97 118.68 118.37 1df3 s LEU 67 Ca 0.29 -1.10 -0.25 0.00 0.69 0.00 0.00 54.13 53.76 1df3 s LEU 67 Cb -0.17 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 1df3 s LEU 67 CO 0.15 -0.18 0.80 -0.94 -0.29 0.00 0.00 176.35 175.88 1df3 s SER 68 N 1.26 6.91 -0.22 3.68 1.04 -1.26 -1.94 113.70 123.16 1df3 s SER 68 Ca -0.03 1.12 -0.05 0.00 0.48 0.00 0.00 55.95 57.47 1df3 s SER 68 Cb -0.18 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 1df3 s SER 68 CO -0.03 -0.39 -0.02 -0.04 0.98 0.00 0.00 173.24 173.74 1df3 s MET 69 N 2.16 3.45 -0.62 4.02 -1.94 -0.52 -4.92 119.30 120.94 1df3 s MET 69 Ca 0.37 -0.59 -0.23 0.00 -1.71 0.00 0.00 55.69 53.54 1df3 s MET 69 Cb -0.16 -3.08 0.06 0.00 2.01 0.00 0.00 34.83 33.66 1df3 s MET 69 CO 0.12 -0.17 0.92 0.08 -0.01 0.00 0.00 175.02 175.96 1df3 s VAL 70 N 1.46 4.40 -0.71 -6.03 1.01 -1.26 -1.15 120.40 118.11 1df3 s VAL 70 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1df3 s VAL 70 Cb -0.14 -4.62 0.19 0.00 0.00 0.00 0.00 36.38 31.81 1df3 s VAL 70 CO -0.01 -1.32 0.62 0.00 0.00 0.00 0.00 175.10 174.38 1df3 s ALA 71 N 3.88 3.85 0.00 5.51 0.00 -0.67 -4.29 121.76 130.04 1df3 s ALA 71 Ca 0.23 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.84 1df3 s ALA 71 Cb -0.16 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1df3 s ALA 71 CO 0.12 -2.17 0.55 0.34 0.00 0.00 0.00 175.76 174.60 1df3 s ASP 72 N 1.95 6.95 0.19 0.00 -1.08 -1.05 -1.92 116.67 121.70 1df3 s ASP 72 Ca 0.15 1.12 -0.31 0.00 -0.52 0.00 0.00 52.55 53.00 1df3 s ASP 72 Cb -0.16 -2.34 -0.10 0.00 -1.46 0.00 0.00 42.92 38.86 1df3 s ASP 72 CO -0.06 0.16 1.50 -1.59 0.52 0.00 0.00 175.17 175.71 1df3 s LYS 73 N -0.45 4.25 -0.09 4.34 -2.85 -1.21 -1.77 119.74 121.95 1df3 s LYS 73 Ca 0.29 2.30 -0.04 0.00 -1.00 0.00 0.00 55.97 57.52 1df3 s LYS 73 Cb -0.18 -3.15 0.04 0.00 -2.06 0.00 0.00 37.83 32.48 1df3 s LYS 73 CO 0.16 -0.52 0.19 -0.08 0.10 0.00 0.00 175.35 175.21 1df3 s THR 74 N 0.74 -0.10 0.00 3.79 -1.32 -0.81 -4.99 115.64 112.95 1df3 s THR 74 Ca 0.66 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 61.33 1df3 s THR 74 Cb -0.42 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1df3 s THR 74 CO 0.35 0.08 0.00 -0.62 -2.21 0.00 0.00 174.62 172.22 1df3 n GLU 75 N 4.45 0.00 -2.93 7.08 1.02 -1.26 -4.56 120.64 124.44 1df3 n GLU 75 Ca -0.22 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.72 1df3 n GLU 75 Cb 0.52 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.96 1df3 n GLU 75 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1df3 s LYS 76 N 0.00 2.83 -1.28 3.49 -0.14 -1.26 -5.02 119.74 118.35 1df3 s LYS 76 Ca 0.00 -0.81 -0.17 0.00 -1.36 0.00 0.00 55.97 53.63 1df3 s LYS 76 Cb 0.00 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.55 1df3 s LYS 76 CO 0.00 -0.39 2.02 0.00 -0.76 0.00 0.00 175.35 176.22 1df3 n ALA 77 N -2.07 4.34 0.00 5.17 0.00 -1.26 -4.11 120.51 122.58 1df3 n ALA 77 Ca 0.05 -3.71 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1df3 n ALA 77 Cb 0.59 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 4.66 -0.59 0.00 0.00 0.00 -1.26 -2.60 105.19 105.40 1df3 n GLY 78 Ca 0.50 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1df3 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1df3 n GLU 79 N 0.00 0.00 -3.87 1.61 2.13 -1.26 -4.70 120.64 114.55 1df3 n GLU 79 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1df3 n GLU 79 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1df3 n GLU 79 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1df3 s TYR 80 N 0.00 3.19 -0.12 4.31 1.51 -0.62 -1.92 117.35 123.70 1df3 s TYR 80 Ca 0.00 -1.57 -0.01 0.00 -1.01 0.00 0.00 57.07 54.48 1df3 s TYR 80 Cb 0.00 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1df3 s TYR 80 CO 0.00 -0.74 -0.09 0.45 -1.11 0.00 0.00 175.55 174.07 1df3 s SER 81 N 1.34 4.41 -0.06 2.29 0.15 -0.73 -2.96 113.70 118.13 1df3 s SER 81 Ca -0.02 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1df3 s SER 81 Cb -0.19 -1.54 -0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1df3 s SER 81 CO -0.01 0.21 -0.04 -0.69 1.20 0.00 0.00 173.24 173.92 1df3 s VAL 82 N 0.08 3.95 -0.86 4.45 1.01 -0.91 -2.52 120.40 125.60 1df3 s VAL 82 Ca -0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1df3 s VAL 82 Cb -0.14 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 33.74 1df3 s VAL 82 CO 0.04 0.57 0.99 -0.89 0.00 0.00 0.00 175.10 175.81 1df3 s THR 83 N -0.87 4.93 -0.27 3.92 2.01 -1.26 -1.82 115.64 122.28 1df3 s THR 83 Ca 0.14 -1.68 -0.01 0.00 0.31 0.00 0.00 61.69 60.46 1df3 s THR 83 Cb -0.11 -4.67 0.14 0.00 0.01 0.00 0.00 72.50 67.87 1df3 s THR 83 CO 0.03 -1.35 0.37 -0.47 -0.69 0.00 0.00 174.62 172.51 1df3 s TYR 84 N 2.15 -0.82 -0.82 4.92 5.04 -1.26 -5.00 117.35 121.56 1df3 s TYR 84 Ca 0.27 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 55.33 1df3 s TYR 84 Cb -0.09 -0.14 -0.00 0.00 0.35 0.00 0.00 41.96 42.08 1df3 s TYR 84 CO -0.07 -0.85 0.69 -0.25 -1.34 0.00 0.00 175.55 173.73 1df3 n ASP 85 N 5.35 -6.70 0.00 4.32 9.92 -1.26 -4.72 116.55 123.46 1df3 n ASP 85 Ca -0.02 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 1df3 n ASP 85 Cb 0.49 -4.13 0.00 0.00 -0.64 0.00 0.00 41.12 36.84 1df3 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1df3 n GLY 86 N -1.70 -1.51 3.60 0.44 0.00 -1.26 -4.86 105.19 99.90 1df3 n GLY 86 Ca -0.10 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.82 2.57 -0.40 1.61 5.36 -0.78 -4.75 117.98 119.76 1df3 s PHE 87 Ca 0.00 0.66 -0.11 0.00 -0.96 0.00 0.00 56.93 56.51 1df3 s PHE 87 Cb 0.00 -4.39 0.05 0.00 -0.34 0.00 0.00 43.02 38.34 1df3 s PHE 87 CO 0.00 -1.67 0.26 0.54 -1.46 0.00 0.00 175.22 172.89 1df3 s ASN 88 N 3.32 5.79 -0.52 6.13 2.20 -0.76 -2.08 114.94 129.03 1df3 s ASN 88 Ca 0.54 -1.19 -0.25 0.00 -0.94 0.00 0.00 52.86 51.02 1df3 s ASN 88 Cb -0.10 -2.05 0.04 0.00 -2.00 0.00 0.00 41.25 37.14 1df3 s ASN 88 CO 0.31 -0.47 0.95 0.42 -2.94 0.00 0.00 177.10 175.37 1df3 s THR 89 N 1.54 4.40 -0.14 0.54 -4.23 -0.74 -2.14 115.64 114.87 1df3 s THR 89 Ca 0.03 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 1df3 s THR 89 Cb -0.21 -4.51 -0.04 0.00 1.34 0.00 0.00 72.50 69.08 1df3 s THR 89 CO 0.06 -1.02 0.14 0.72 -0.54 0.00 0.00 174.62 173.97 1df3 s PHE 90 N 3.93 3.54 -0.01 3.99 -0.12 -1.16 -2.14 117.98 126.02 1df3 s PHE 90 Ca 0.33 0.47 0.05 0.00 -0.05 0.00 0.00 56.93 57.73 1df3 s PHE 90 Cb -0.11 -2.00 -0.01 0.00 -0.63 0.00 0.00 43.02 40.26 1df3 s PHE 90 CO 0.22 0.60 -0.15 0.99 -0.05 0.00 0.00 175.22 176.84 1df3 s THR 91 N -0.61 1.16 -0.51 -4.49 2.01 -0.90 -1.59 115.64 110.70 1df3 s THR 91 Ca 0.13 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.30 1df3 s THR 91 Cb -0.12 -0.97 0.08 0.00 0.01 0.00 0.00 72.50 71.50 1df3 s THR 91 CO 0.02 0.30 0.53 -0.63 -0.69 0.00 0.00 174.62 174.16 1df3 s ILE 92 N -0.38 5.04 0.14 1.82 1.01 -1.26 -2.58 121.20 125.00 1df3 s ILE 92 Ca 0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1df3 s ILE 92 Cb -0.06 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 1df3 s ILE 92 CO -0.00 -0.77 1.52 1.55 0.00 0.00 0.00 174.94 177.24 1df3 h PRO 93 N 8.92 0.88 -3.73 2.79 0.13 -1.91 -2.06 132.00 137.01 1df3 h PRO 93 Ca -0.28 -0.38 -0.32 0.00 -0.87 0.00 0.00 66.00 64.15 1df3 h PRO 93 Cb 1.10 -0.03 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 1df3 h PRO 93 CO 0.96 1.02 -0.74 0.15 -0.23 0.00 0.00 178.00 179.16 1df3 s LYS 94 N -4.66 0.23 -0.16 0.86 1.02 -1.24 -3.92 119.74 111.87 1df3 s LYS 94 Ca -0.12 0.06 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 1df3 s LYS 94 Cb 0.11 -0.39 0.07 0.00 -0.52 0.00 0.00 37.83 37.10 1df3 s LYS 94 CO 0.85 -0.11 0.36 -0.08 -0.92 0.00 0.00 175.35 175.45 1df3 s THR 95 N 0.84 -0.32 0.01 2.17 -1.32 -1.24 -1.27 115.64 114.51 1df3 s THR 95 Ca -0.08 0.17 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1df3 s THR 95 Cb -0.11 -0.56 -0.18 0.00 -1.51 0.00 0.00 72.50 70.13 1df3 s THR 95 CO -0.02 0.07 1.06 -0.78 -2.21 0.00 0.00 174.62 172.74 1df3 h ASP 96 N 7.74 0.00 -6.19 8.08 1.82 -1.63 -2.62 116.42 123.62 1df3 h ASP 96 Ca -0.25 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 55.94 1df3 h ASP 96 Cb 1.14 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.16 1df3 h ASP 96 CO 0.21 0.90 -0.76 0.00 -1.61 0.00 0.00 179.24 177.98 1df3 n TYR 97 N -3.19 -2.30 0.02 0.28 0.18 -1.24 -4.11 117.16 106.80 1df3 n TYR 97 Ca -0.06 0.91 0.00 0.00 1.88 0.00 0.00 57.90 60.63 1df3 n TYR 97 Cb 0.94 -4.22 0.00 0.00 -0.38 0.00 0.00 39.34 35.69 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 -2.91 -0.31 0.00 9.48 2.03 -1.26 -4.95 116.55 118.63 1df3 n ASP 98 Ca -0.04 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1df3 n ASP 98 Cb 0.56 0.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 1df3 n ASP 98 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1df3 n ASN 99 N -2.57 0.00 -4.72 1.67 2.85 -1.26 -4.57 115.26 106.66 1df3 n ASN 99 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 1df3 n ASN 99 Cb 0.00 -0.19 -0.08 0.00 1.24 0.00 0.00 39.78 40.76 1df3 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1df3 s PHE 100 N -0.80 2.60 -0.24 1.20 -0.12 -1.26 -2.36 117.98 116.99 1df3 s PHE 100 Ca 0.00 -0.56 -0.04 0.00 -0.05 0.00 0.00 56.93 56.27 1df3 s PHE 100 Cb 0.00 -1.88 0.13 0.00 -0.63 0.00 0.00 43.02 40.64 1df3 s PHE 100 CO 0.00 0.25 0.44 -1.17 -0.05 0.00 0.00 175.22 174.69 1df3 s LEU 101 N -3.87 -0.79 -0.49 -1.99 0.20 0.20 -1.51 118.68 110.44 1df3 s LEU 101 Ca 0.40 0.66 -0.12 0.00 0.69 0.00 0.00 54.13 55.75 1df3 s LEU 101 Cb 0.03 1.43 0.11 0.00 -0.43 0.00 0.00 46.19 47.34 1df3 s LEU 101 CO 0.22 -0.27 0.40 -0.04 -0.29 0.00 0.00 176.35 176.37 1df3 s MET 102 N 2.64 2.74 -0.16 1.98 -1.94 -0.39 -1.54 119.30 122.63 1df3 s MET 102 Ca 0.08 -1.66 -0.03 0.00 -1.71 0.00 0.00 55.69 52.37 1df3 s MET 102 Cb -0.14 -4.07 -0.02 0.00 2.01 0.00 0.00 34.83 32.60 1df3 s MET 102 CO -0.16 -1.20 -0.05 0.00 -0.01 0.00 0.00 175.02 173.60 1df3 s ALA 103 N 1.49 2.91 -0.42 3.03 0.00 -1.04 -3.67 121.76 124.07 1df3 s ALA 103 Ca 0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1df3 s ALA 103 Cb -0.27 -1.50 0.06 0.00 0.00 0.00 0.00 23.12 21.40 1df3 s ALA 103 CO 0.02 0.16 0.27 -1.58 0.00 0.00 0.00 175.76 174.64 1df3 s HIS 104 N 0.46 3.28 -0.01 0.00 2.46 -1.06 -2.23 115.29 118.18 1df3 s HIS 104 Ca -0.05 -1.17 -0.25 0.00 0.47 0.00 0.00 55.06 54.07 1df3 s HIS 104 Cb -0.15 -2.81 -0.04 0.00 -0.13 0.00 0.00 32.58 29.45 1df3 s HIS 104 CO 0.03 -0.76 0.75 -1.17 -2.47 0.00 0.00 174.74 171.12 1df3 s LEU 105 N 1.53 4.38 -0.25 8.88 0.20 -0.62 -2.12 118.68 130.67 1df3 s LEU 105 Ca 0.03 1.34 0.02 0.00 0.69 0.00 0.00 54.13 56.21 1df3 s LEU 105 Cb -0.22 -3.19 0.07 0.00 -0.43 0.00 0.00 46.19 42.42 1df3 s LEU 105 CO 0.05 -0.07 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.35 1df3 s ILE 106 N 0.45 1.77 0.24 6.68 1.01 -0.91 -1.31 121.20 129.13 1df3 s ILE 106 Ca 0.39 -1.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 1df3 s ILE 106 Cb -0.19 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 1df3 s ILE 106 CO 0.21 -0.15 0.93 0.21 0.00 0.00 0.00 174.94 176.14 1df3 s ASN 107 N 1.27 7.62 -0.29 3.58 3.84 -0.38 -1.79 114.94 128.79 1df3 s ASN 107 Ca -0.05 1.92 0.01 0.00 0.21 0.00 0.00 52.86 54.96 1df3 s ASN 107 Cb -0.19 -2.60 0.08 0.00 -0.55 0.00 0.00 41.25 37.99 1df3 s ASN 107 CO -0.07 0.16 0.02 -1.61 -2.79 0.00 0.00 177.10 172.81 1df3 s GLU 108 N -1.20 1.36 0.19 0.43 8.01 -0.88 -2.25 118.70 124.36 1df3 s GLU 108 Ca 0.41 -1.30 0.03 0.00 0.01 0.00 0.00 54.97 54.12 1df3 s GLU 108 Cb -0.26 -2.64 0.03 0.00 -4.31 0.00 0.00 34.13 26.96 1df3 s GLU 108 CO 0.31 -0.80 0.25 1.17 0.01 0.00 0.00 175.26 176.20 1df3 n LYS 109 N 4.58 0.92 -2.28 1.61 4.81 -0.86 -1.87 118.16 125.07 1df3 n LYS 109 Ca -0.04 -1.06 -0.34 0.00 -0.87 0.00 0.00 58.31 56.00 1df3 n LYS 109 Cb 0.43 -0.05 -0.04 0.00 0.02 0.00 0.00 35.03 35.39 1df3 n LYS 109 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1df3 s ASP 110 N -2.18 5.77 -0.87 3.14 -1.08 -1.26 -4.05 116.67 116.13 1df3 s ASP 110 Ca 0.19 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 1df3 s ASP 110 Cb -0.01 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1df3 s ASP 110 CO 0.12 -2.23 0.00 0.61 0.52 0.00 0.00 175.17 174.19 1df3 n GLY 111 N 6.35 0.28 2.49 2.66 0.00 -1.26 -5.03 105.19 110.69 1df3 n GLY 111 Ca 0.41 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1df3 n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 112 N -4.03 0.65 -0.28 1.61 2.12 -1.26 -5.11 118.70 112.40 1df3 s GLU 112 Ca 0.00 -1.44 -0.11 0.00 0.36 0.00 0.00 54.97 53.78 1df3 s GLU 112 Cb 0.00 -1.42 -0.05 0.00 0.26 0.00 0.00 34.13 32.92 1df3 s GLU 112 CO 0.00 -1.21 0.19 0.99 -0.54 0.00 0.00 175.26 174.69 1df3 s THR 113 N 0.95 5.31 -0.04 -1.70 2.01 -1.26 -2.03 115.64 118.87 1df3 s THR 113 Ca 0.19 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 1df3 s THR 113 Cb -0.22 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1df3 s THR 113 CO -0.00 0.26 0.22 0.72 -0.69 0.00 0.00 174.62 175.13 1df3 s PHE 114 N 1.71 -0.14 0.10 4.92 -0.12 -0.95 -5.01 117.98 118.49 1df3 s PHE 114 Ca 0.07 0.30 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 1df3 s PHE 114 Cb -0.16 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1df3 s PHE 114 CO 0.11 -0.24 0.49 -0.65 -0.05 0.00 0.00 175.22 174.88 1df3 s GLN 115 N -0.71 3.93 -0.21 1.99 -0.21 -1.26 -1.24 119.66 121.94 1df3 s GLN 115 Ca -0.08 0.42 -0.04 0.00 0.02 0.00 0.00 55.36 55.67 1df3 s GLN 115 Cb -0.04 -3.01 0.08 0.00 1.00 0.00 0.00 33.01 31.04 1df3 s GLN 115 CO 0.02 0.54 0.16 -1.17 -2.12 0.00 0.00 175.29 172.72 1df3 s LEU 116 N -1.77 0.15 -0.27 2.90 0.20 -0.42 -1.46 118.68 118.00 1df3 s LEU 116 Ca 0.34 -0.57 -0.01 0.00 0.69 0.00 0.00 54.13 54.58 1df3 s LEU 116 Cb -0.15 0.05 0.04 0.00 -0.43 0.00 0.00 46.19 45.70 1df3 s LEU 116 CO 0.18 -0.36 -0.04 -0.32 -0.29 0.00 0.00 176.35 175.52 1df3 s MET 117 N 2.22 2.54 0.07 1.98 1.75 -0.92 -1.59 119.30 125.35 1df3 s MET 117 Ca 0.05 -1.18 0.06 0.00 -1.25 0.00 0.00 55.69 53.38 1df3 s MET 117 Cb -0.16 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.42 1df3 s MET 117 CO -0.16 -0.53 -0.10 0.20 -0.65 0.00 0.00 175.02 173.78 1df3 s GLY 118 N 1.25 1.76 -0.13 2.11 0.00 -0.95 -4.01 107.32 107.36 1df3 s GLY 118 Ca -0.04 -1.18 -0.08 0.00 0.00 0.00 0.00 44.72 43.42 1df3 s GLY 118 CO -0.03 -1.12 0.17 1.08 0.00 0.00 0.00 173.10 173.19 1df3 s LEU 119 N -1.93 4.36 -0.09 0.66 2.01 -0.78 -2.51 118.68 120.41 1df3 s LEU 119 Ca 0.20 0.47 -0.03 0.00 0.01 0.00 0.00 54.13 54.78 1df3 s LEU 119 Cb -0.11 -2.13 0.04 0.00 0.01 0.00 0.00 46.19 44.01 1df3 s LEU 119 CO 0.11 0.35 0.10 -0.31 1.01 0.00 0.00 176.35 177.61 1df3 s TYR 120 N -0.73 0.01 0.32 0.29 2.02 -0.59 -0.97 117.35 117.70 1df3 s TYR 120 Ca 0.15 0.22 0.09 0.00 -0.37 0.00 0.00 57.07 57.15 1df3 s TYR 120 Cb -0.12 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 1df3 s TYR 120 CO 0.04 -0.30 0.02 0.20 -1.57 0.00 0.00 175.55 173.94 1df3 s GLY 121 N 2.20 1.93 0.02 0.71 0.00 -0.36 -0.63 107.32 111.20 1df3 s GLY 121 Ca 0.04 -1.86 -0.23 0.00 0.00 0.00 0.00 44.72 42.67 1df3 s GLY 121 CO -0.05 -1.83 1.37 3.21 0.00 0.00 0.00 173.10 175.80 1df3 h ARG 122 N 1.80 0.13 -7.17 2.90 2.47 -1.71 -0.14 114.38 112.65 1df3 h ARG 122 Ca -0.43 -0.06 -0.49 0.00 -1.26 0.00 0.00 59.98 57.74 1df3 h ARG 122 Cb 1.25 -0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.63 1df3 h ARG 122 CO 0.64 0.50 0.38 -1.21 0.56 0.00 0.00 179.97 180.84 1df3 s GLU 123 N -4.59 3.30 0.00 0.04 2.02 -1.26 -4.65 118.70 113.56 1df3 s GLU 123 Ca -0.15 1.31 0.07 0.00 0.02 0.00 0.00 54.97 56.22 1df3 s GLU 123 Cb 0.04 -2.02 0.44 0.00 0.10 0.00 0.00 34.13 32.68 1df3 s GLU 123 CO 0.70 -0.84 1.01 -0.35 0.02 0.00 0.00 175.26 175.81 1df3 n PRO 124 N -1.85 0.68 -3.71 0.39 -0.04 -1.26 -4.68 135.00 124.52 1df3 n PRO 124 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1df3 n PRO 124 Cb 0.52 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.72 1df3 n PRO 124 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1df3 s ASP 125 N -1.55 -0.51 0.45 3.54 1.47 -1.26 -4.61 116.67 114.20 1df3 s ASP 125 Ca 0.11 0.94 0.08 0.00 1.18 0.00 0.00 52.55 54.85 1df3 s ASP 125 Cb 0.05 0.90 0.00 0.00 -0.34 0.00 0.00 42.92 43.53 1df3 s ASP 125 CO 0.09 -0.17 0.44 -0.76 0.68 0.00 0.00 175.17 175.45 1df3 s LEU 126 N 0.66 3.30 0.43 2.11 1.43 -1.26 -5.06 118.68 120.29 1df3 s LEU 126 Ca -0.03 -0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 1df3 s LEU 126 Cb -0.05 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 1df3 s LEU 126 CO -0.04 -0.80 1.15 -0.55 0.23 0.00 0.00 176.35 176.34 1df3 s SER 127 N -4.23 6.35 0.58 2.29 0.15 -1.26 -4.99 113.70 112.59 1df3 s SER 127 Ca 0.48 2.29 0.28 0.00 0.70 0.00 0.00 55.95 59.69 1df3 s SER 127 Cb -0.04 -2.60 1.72 0.00 -1.71 0.00 0.00 66.02 63.39 1df3 s SER 127 CO 0.29 -0.79 2.22 0.28 1.20 0.00 0.00 173.24 176.43 1df3 h SER 128 N 2.28 0.00 -0.36 5.45 0.02 -2.00 -2.92 113.55 116.03 1df3 h SER 128 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1df3 h SER 128 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1df3 h SER 128 CO 0.61 0.00 0.06 0.44 -1.14 0.00 0.00 176.83 176.80 1df3 h ASP 129 N 0.00 0.56 -0.67 3.07 5.19 -2.00 -2.23 116.42 120.34 1df3 h ASP 129 Ca 0.01 -0.25 0.02 0.00 -0.62 0.00 0.00 57.03 56.19 1df3 h ASP 129 Cb 0.07 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.40 1df3 h ASP 129 CO -0.00 0.67 0.43 0.40 -3.12 0.00 0.00 179.24 177.62 1df3 h ILE 130 N 0.43 1.13 -0.57 0.35 2.04 -1.92 -2.34 117.51 116.62 1df3 h ILE 130 Ca 0.11 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1df3 h ILE 130 Cb 0.35 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1df3 h ILE 130 CO 0.01 0.16 0.38 0.11 0.00 0.00 0.00 178.15 178.80 1df3 h LYS 131 N 0.86 0.51 -0.49 2.37 1.57 -1.54 -2.08 116.57 117.78 1df3 h LYS 131 Ca 0.26 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1df3 h LYS 131 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1df3 h LYS 131 CO -0.08 0.34 0.17 1.49 -0.57 0.00 0.00 179.45 180.80 1df3 h GLU 132 N 0.53 0.75 -0.72 3.15 4.22 -1.16 -2.30 114.58 119.05 1df3 h GLU 132 Ca 0.25 -0.15 0.14 0.00 0.08 0.00 0.00 59.36 59.67 1df3 h GLU 132 Cb 0.30 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1df3 h GLU 132 CO -0.07 0.69 0.25 0.00 -2.18 0.00 0.00 179.01 177.70 1df3 h ARG 133 N 0.66 0.38 -0.17 1.92 2.47 -1.01 -2.43 114.38 116.19 1df3 h ARG 133 Ca 0.16 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.89 1df3 h ARG 133 Cb 0.24 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1df3 h ARG 133 CO -0.01 0.25 -0.04 0.35 0.56 0.00 0.00 179.97 181.08 1df3 h PHE 134 N 0.39 -0.09 -0.98 3.04 3.57 -1.36 -2.43 116.94 119.08 1df3 h PHE 134 Ca 0.39 0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.00 1df3 h PHE 134 Cb 0.59 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 1df3 h PHE 134 CO -0.19 -0.07 0.62 0.00 -2.23 0.00 0.00 178.31 176.44 1df3 h ALA 135 N 1.17 1.52 -0.16 2.41 0.00 -0.95 0.17 119.26 123.41 1df3 h ALA 135 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1df3 h ALA 135 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1df3 h ALA 135 CO -0.18 0.28 0.09 1.96 0.00 0.00 0.00 179.25 181.41 1df3 h GLN 136 N 1.03 0.23 -0.84 0.00 1.08 -1.49 -2.75 115.11 112.37 1df3 h GLN 136 Ca 0.46 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1df3 h GLN 136 Cb 0.37 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1df3 h GLN 136 CO -0.21 0.21 0.49 1.25 -0.95 0.00 0.00 178.83 179.63 1df3 h LEU 137 N 0.18 1.01 0.20 1.46 5.85 -0.97 -2.19 115.31 120.84 1df3 h LEU 137 Ca 0.06 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1df3 h LEU 137 Cb 0.05 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1df3 h LEU 137 CO -0.01 0.78 -0.09 0.00 -0.34 0.00 0.00 178.44 178.78 1df3 h GLU 139 N -0.35 1.04 -0.48 0.00 4.81 -1.53 -0.68 114.58 117.39 1df3 h GLU 139 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1df3 h GLU 139 Cb 0.27 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1df3 h GLU 139 CO 0.04 0.69 0.27 1.49 -0.73 0.00 0.00 179.01 180.77 1df3 h GLU 140 N 1.07 0.66 -0.01 1.92 4.57 -1.33 -3.32 114.58 118.14 1df3 h GLU 140 Ca 0.45 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1df3 h GLU 140 Cb 0.31 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1df3 h GLU 140 CO -0.20 0.50 -0.03 0.45 -1.18 0.00 0.00 179.01 178.55 1df3 h HIS 141 N 0.63 0.06 0.00 0.92 3.86 -1.33 -3.49 115.15 115.79 1df3 h HIS 141 Ca 0.17 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 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 -0.02 0.65 0.00 0.41 0.86 0.00 0.00 177.93 179.83 1df3 n GLY 142 N 0.58 0.32 3.16 2.45 0.00 -0.61 -5.12 105.19 105.97 1df3 n GLY 142 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.48 1.82 0.53 -0.61 1.01 -0.36 -4.85 121.20 118.27 1df3 s ILE 143 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1df3 s ILE 143 Cb 0.00 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.82 1df3 s ILE 143 CO 0.00 0.51 1.12 -0.76 0.00 0.00 0.00 174.94 175.81 1df3 s LEU 144 N 0.49 3.77 0.48 2.97 1.43 -1.26 -3.66 118.68 122.90 1df3 s LEU 144 Ca -0.16 2.16 0.26 0.00 -1.03 0.00 0.00 54.13 55.36 1df3 s LEU 144 Cb -0.17 -4.56 1.15 0.00 0.03 0.00 0.00 46.19 42.64 1df3 s LEU 144 CO 0.06 -1.16 1.92 0.08 0.23 0.00 0.00 176.35 177.49 1df3 h ARG 145 N 1.28 0.00 -0.01 1.70 0.11 -1.97 -3.17 114.38 112.32 1df3 h ARG 145 Ca -0.50 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.55 1df3 h ARG 145 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 1df3 h ARG 145 CO 0.57 0.17 -0.14 1.05 0.10 0.00 0.00 179.97 181.73 1df3 h GLU 146 N 0.00 0.01 -0.00 0.08 -0.00 -2.02 -3.18 114.58 109.47 1df3 h GLU 146 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1df3 h GLU 146 Cb 0.59 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.34 1df3 h GLU 146 CO 0.02 0.15 -0.06 0.27 -0.00 0.00 0.00 179.01 179.39 1df3 n ASN 147 N -4.37 0.11 -4.56 3.06 0.23 -1.20 -4.84 115.26 103.70 1df3 n ASN 147 Ca -0.02 0.05 -0.39 0.00 -0.53 0.00 0.00 54.58 53.69 1df3 n ASN 147 Cb 0.21 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 37.58 1df3 n ASN 147 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1df3 s ILE 148 N -2.77 3.76 -0.23 1.53 1.01 -1.21 -4.39 121.20 118.89 1df3 s ILE 148 Ca 0.21 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 1df3 s ILE 148 Cb 0.19 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1df3 s ILE 148 CO 0.51 -1.71 0.43 -0.63 0.00 0.00 0.00 174.94 173.55 1df3 s ILE 149 N 6.19 5.15 -0.58 2.92 1.01 -1.26 -5.05 121.20 129.60 1df3 s ILE 149 Ca 0.48 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.66 1df3 s ILE 149 Cb -0.04 -3.75 0.08 0.00 0.01 0.00 0.00 42.46 38.76 1df3 s ILE 149 CO 0.01 0.18 0.74 -1.81 0.00 0.00 0.00 174.94 174.06 1df3 s ASP 150 N 1.34 6.20 -0.13 3.58 1.01 -1.26 -2.69 116.67 124.72 1df3 s ASP 150 Ca 0.19 -1.14 -0.02 0.00 0.71 0.00 0.00 52.55 52.29 1df3 s ASP 150 Cb -0.15 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1df3 s ASP 150 CO 0.09 -1.12 2.44 0.18 0.21 0.00 0.00 175.17 176.97 1df3 n LEU 151 N 6.61 5.73 -2.35 1.23 7.99 -0.45 -4.67 117.00 131.08 1df3 n LEU 151 Ca -0.07 -2.98 -0.22 0.00 -0.01 0.00 0.00 56.01 52.73 1df3 n LEU 151 Cb 0.44 -1.18 -0.10 0.00 -0.11 0.00 0.00 43.42 42.47 1df3 n LEU 151 CO 0.59 1.29 1.65 -1.54 -1.51 0.00 0.00 177.39 177.86 1df3 n SER 152 N 1.35 6.09 -2.24 -1.43 3.41 -1.21 -3.16 113.62 116.44 1df3 n SER 152 Ca 0.22 -2.92 -0.02 0.00 -0.26 0.00 0.00 58.87 55.89 1df3 n SER 152 Cb 0.61 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.24 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 1.55 -0.71 0.00 4.04 6.94 -1.26 -4.94 115.26 120.88 1df3 n ASN 153 Ca 0.48 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 1df3 n ASN 153 Cb 0.68 0.63 0.00 0.00 -2.36 0.00 0.00 39.78 38.72 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1df3 n ALA 154 N -0.37 0.00 0.21 -2.53 0.00 -1.25 -4.57 120.51 112.00 1df3 n ALA 154 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.43 1df3 n ALA 154 Cb 0.59 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.75 1df3 n ALA 154 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1df3 h ASN 155 N 0.00 0.00 -2.27 0.00 7.08 -1.77 -2.54 115.58 116.08 1df3 h ASN 155 Ca 0.00 0.00 -0.75 0.00 -3.08 0.00 0.00 56.30 52.47 1df3 h ASN 155 Cb 0.00 0.00 -0.31 0.00 -2.08 0.00 0.00 38.32 35.93 1df3 h ASN 155 CO 0.00 0.00 0.61 -1.14 -2.08 0.00 0.00 177.43 174.82 1df3 n ARG 156 N -3.20 4.89 -3.84 4.14 0.63 -1.26 -4.70 116.66 113.33 1df3 n ARG 156 Ca 0.03 -4.72 -0.33 0.00 -0.92 0.00 0.00 57.85 51.91 1df3 n ARG 156 Cb 0.59 -2.41 0.02 0.00 0.45 0.00 0.00 32.46 31.11 1df3 n ARG 156 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1df3 s LEU 158 N -6.81 2.32 0.51 0.00 1.43 -0.96 -4.96 118.68 110.21 1df3 s LEU 158 Ca 0.36 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 1df3 s LEU 158 Cb -0.15 0.04 -0.07 0.00 0.03 0.00 0.00 46.19 46.04 1df3 s LEU 158 CO 0.89 -0.36 1.07 0.00 0.23 0.00 0.00 176.35 178.19 1df3 s GLN 159 N -2.25 3.64 -0.71 1.70 -2.07 -1.26 -4.46 119.66 114.25 1df3 s GLN 159 Ca -0.07 1.44 -0.27 0.00 -1.82 0.00 0.00 55.36 54.64 1df3 s GLN 159 Cb -0.05 -2.06 0.02 0.00 -1.09 0.00 0.00 33.01 29.83 1df3 s GLN 159 CO -0.03 -0.58 1.34 0.00 -1.32 0.00 0.00 175.29 174.71 1df3 s ALA 160 N -1.92 2.70 -0.34 2.60 0.00 -1.26 -4.36 121.76 119.17 1df3 s ALA 160 Ca 0.69 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1df3 s ALA 160 Cb -0.19 -4.25 0.13 0.00 0.00 0.00 0.00 23.12 18.81 1df3 s ALA 160 CO 0.23 -3.31 0.19 0.50 0.00 0.00 0.00 175.76 173.36 1df3 s ARG 161 N 5.84 0.52 0.00 0.00 3.52 -1.26 -4.82 118.95 122.74 1df3 s ARG 161 Ca 0.40 -1.18 0.28 0.00 -0.13 0.00 0.00 55.73 55.09 1df3 s ARG 161 Cb -0.09 -1.36 0.95 0.00 -1.56 0.00 0.00 34.95 32.90 1df3 s ARG 161 CO 0.17 -1.16 1.69 -1.91 -0.81 0.00 0.00 175.30 173.28