#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 3.18 0.39 3.44 -1.05 -1.26 -4.79 118.70 118.60 1df3 s GLU 2 Ca 0.00 -0.64 -0.12 0.00 -0.15 0.00 0.00 54.97 54.06 1df3 s GLU 2 Cb 0.00 -4.17 -0.07 0.00 -0.44 0.00 0.00 34.13 29.45 1df3 s GLU 2 CO 0.00 -1.73 0.77 0.00 0.95 0.00 0.00 175.26 175.25 1df3 s ALA 3 N 4.11 3.33 -0.15 -0.84 0.00 -1.03 -4.82 121.76 122.36 1df3 s ALA 3 Ca 0.25 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 1df3 s ALA 3 Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1df3 s ALA 3 CO 0.13 0.08 0.36 -1.12 0.00 0.00 0.00 175.76 175.20 1df3 s SER 4 N -2.91 6.52 -1.32 0.00 0.01 -1.26 -2.43 113.70 112.31 1df3 s SER 4 Ca 0.52 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.24 1df3 s SER 4 Cb -0.10 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 64.00 1df3 s SER 4 CO 0.27 0.06 1.83 -1.20 0.41 0.00 0.00 173.24 174.61 1df3 n SER 5 N 3.64 4.73 0.13 2.44 7.64 -0.72 -4.27 113.62 127.21 1df3 n SER 5 Ca -0.10 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1df3 n SER 5 Cb 0.52 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1df3 n SER 5 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1df3 n THR 6 N 5.42 0.00 -0.40 0.44 -2.24 -1.26 -3.86 114.28 112.38 1df3 n THR 6 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1df3 n THR 6 Cb 0.43 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1df3 n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1df3 n GLY 7 N -0.12 2.17 2.90 3.38 0.00 -1.26 -2.36 105.19 109.90 1df3 n GLY 7 Ca 0.00 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 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 3.77 -1.95 1.61 5.12 -1.26 -4.72 116.66 119.22 1df3 n ARG 8 Ca 0.00 -4.57 -0.04 0.00 -1.93 0.00 0.00 57.85 51.31 1df3 n ARG 8 Cb 0.00 -2.44 0.04 0.00 -1.16 0.00 0.00 32.46 28.90 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 1.39 -1.11 -3.73 0.55 0.23 -1.26 -5.14 115.26 106.19 1df3 n ASN 9 Ca 0.26 -2.12 -0.12 0.00 -0.53 0.00 0.00 54.58 52.08 1df3 n ASN 9 Cb 0.36 0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 38.40 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1df3 s PHE 10 N -0.06 -0.37 -0.37 -2.53 5.36 -1.26 -4.52 117.98 114.23 1df3 s PHE 10 Ca 0.07 0.86 -0.16 0.00 -0.96 0.00 0.00 56.93 56.74 1df3 s PHE 10 Cb 0.26 0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1df3 s PHE 10 CO -0.07 -0.24 0.37 1.21 -1.46 0.00 0.00 175.22 175.03 1df3 s ASN 11 N 1.16 6.17 0.19 6.13 2.47 -1.26 -5.01 114.94 124.79 1df3 s ASN 11 Ca -0.08 -0.42 -0.12 0.00 0.42 0.00 0.00 52.86 52.66 1df3 s ASN 11 Cb -0.09 -2.20 0.14 0.00 -1.45 0.00 0.00 41.25 37.66 1df3 s ASN 11 CO -0.08 -0.41 1.82 -0.37 -3.72 0.00 0.00 177.10 174.34 1df3 h VAL 12 N 5.60 1.05 -0.00 -5.21 -1.51 -2.01 -3.25 116.25 110.92 1df3 h VAL 12 Ca -0.29 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1df3 h VAL 12 Cb 1.13 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1df3 h VAL 12 CO 0.72 0.13 0.01 -0.33 -1.23 0.00 0.00 177.57 176.86 1df3 h GLU 13 N 0.69 0.00 -0.17 5.19 5.08 -1.95 -2.06 114.58 121.37 1df3 h GLU 13 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1df3 h GLU 13 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1df3 h GLU 13 CO -0.11 0.00 -0.18 0.87 -1.00 0.00 0.00 179.01 178.59 1df3 h LYS 14 N 0.00 0.28 -0.99 2.33 1.57 -1.97 -3.14 116.57 114.65 1df3 h LYS 14 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1df3 h LYS 14 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1df3 h LYS 14 CO -0.00 0.47 0.02 0.44 -0.57 0.00 0.00 179.45 179.80 1df3 n ILE 15 N -4.21 0.58 -3.37 1.86 -5.35 -0.77 -4.86 119.36 103.24 1df3 n ILE 15 Ca -0.01 -0.10 -0.43 0.00 -0.27 0.00 0.00 62.75 61.94 1df3 n ILE 15 Cb 0.32 -0.69 -0.09 0.00 -1.74 0.00 0.00 39.64 37.44 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 0.34 6.16 0.00 7.28 2.47 -1.19 -4.69 114.94 125.30 1df3 s ASN 16 Ca 0.03 -0.85 0.00 0.00 0.42 0.00 0.00 52.86 52.47 1df3 s ASN 16 Cb 0.03 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.63 1df3 s ASN 16 CO 0.01 -0.55 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 1df3 n GLY 17 N 5.14 -0.30 3.67 1.21 0.00 -0.88 -5.01 105.19 109.02 1df3 n GLY 17 Ca -0.09 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 4.28 0.08 1.61 2.02 -1.26 -2.21 118.70 121.21 1df3 s GLU 18 Ca 0.00 1.01 0.01 0.00 0.02 0.00 0.00 54.97 56.01 1df3 s GLU 18 Cb 0.00 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1df3 s GLU 18 CO 0.00 -0.36 -0.05 -1.58 0.02 0.00 0.00 175.26 173.29 1df3 s TRP 19 N 2.27 0.75 0.02 1.61 0.52 -1.20 -4.54 118.94 118.37 1df3 s TRP 19 Ca 0.38 -0.94 -0.00 0.00 0.02 0.00 0.00 56.10 55.56 1df3 s TRP 19 Cb -0.16 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.68 1df3 s TRP 19 CO 0.11 -0.22 -0.02 -1.01 0.02 0.00 0.00 176.95 175.83 1df3 s HIS 20 N -3.58 0.20 -0.63 -1.98 3.76 -0.45 -4.09 115.29 108.52 1df3 s HIS 20 Ca 0.09 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 1df3 s HIS 20 Cb 0.05 -0.15 0.04 0.00 1.11 0.00 0.00 32.58 33.64 1df3 s HIS 20 CO -0.06 -0.15 1.11 0.99 -0.85 0.00 0.00 174.74 175.78 1df3 s THR 21 N -1.14 4.09 -0.11 1.30 2.01 -0.58 -1.84 115.64 119.37 1df3 s THR 21 Ca -0.12 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1df3 s THR 21 Cb -0.08 -4.73 -0.13 0.00 0.01 0.00 0.00 72.50 67.57 1df3 s THR 21 CO -0.01 -1.46 0.47 0.40 -0.69 0.00 0.00 174.62 173.33 1df3 h ILE 22 N 6.05 0.87 -3.47 1.82 1.08 -1.57 -3.41 117.51 118.87 1df3 h ILE 22 Ca -0.27 -1.56 -0.37 0.00 -0.39 0.00 0.00 64.86 62.28 1df3 h ILE 22 Cb 1.06 1.61 -0.34 0.00 -3.07 0.00 0.00 36.82 36.08 1df3 h ILE 22 CO 1.19 0.28 -0.75 -0.63 -0.69 0.00 0.00 178.15 177.55 1df3 s ILE 23 N -2.17 0.28 -0.12 -0.67 1.01 -1.03 -2.03 121.20 116.47 1df3 s ILE 23 Ca -0.10 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1df3 s ILE 23 Cb -0.01 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 1df3 s ILE 23 CO 0.36 0.17 -0.17 -0.22 0.00 0.00 0.00 174.94 175.08 1df3 s LEU 24 N 1.04 2.46 -0.04 2.97 2.96 -0.81 -0.93 118.68 126.33 1df3 s LEU 24 Ca -0.09 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1df3 s LEU 24 Cb -0.14 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1df3 s LEU 24 CO -0.01 0.15 0.07 0.00 -1.32 0.00 0.00 176.35 175.23 1df3 s ALA 25 N 0.43 0.19 -0.02 5.97 0.00 -1.22 -2.33 121.76 124.79 1df3 s ALA 25 Ca -0.13 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1df3 s ALA 25 Cb -0.16 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1df3 s ALA 25 CO 0.06 -0.48 -0.12 -1.54 0.00 0.00 0.00 175.76 173.68 1df3 s SER 26 N 2.12 1.49 0.21 0.00 1.04 -1.26 -2.02 113.70 115.28 1df3 s SER 26 Ca 0.04 -0.23 -0.09 0.00 0.48 0.00 0.00 55.95 56.15 1df3 s SER 26 Cb -0.12 -0.25 0.16 0.00 0.10 0.00 0.00 66.02 65.92 1df3 s SER 26 CO -0.03 0.13 1.83 0.44 0.98 0.00 0.00 173.24 176.59 1df3 h ASP 27 N 6.01 0.99 -0.56 7.02 3.32 -1.90 -2.72 116.42 128.58 1df3 h ASP 27 Ca -0.33 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1df3 h ASP 27 Cb 1.17 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1df3 h ASP 27 CO 0.49 0.80 0.32 0.11 -1.72 0.00 0.00 179.24 179.24 1df3 h LYS 28 N 1.10 0.79 0.00 3.56 1.57 -1.97 -3.48 116.57 118.13 1df3 h LYS 28 Ca 0.28 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1df3 h LYS 28 Cb 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1df3 h LYS 28 CO -0.05 0.58 0.00 -2.13 -0.57 0.00 0.00 179.45 177.28 1df3 n ARG 29 N -4.40 0.00 -0.34 3.15 0.63 -1.03 -4.70 116.66 109.98 1df3 n ARG 29 Ca 0.05 0.00 0.36 0.00 -0.92 0.00 0.00 57.85 57.35 1df3 n ARG 29 Cb 0.09 0.00 0.75 0.00 0.45 0.00 0.00 32.46 33.76 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 0.00 -0.40 -0.14 4.11 -1.92 -2.27 114.58 113.96 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 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1df3 h GLU 30 CO 0.00 0.00 0.26 0.87 0.07 0.00 0.00 179.01 180.21 1df3 h LYS 31 N 0.00 0.52 0.00 1.06 1.79 -1.97 -3.29 116.57 114.68 1df3 h LYS 31 Ca 0.58 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1df3 h LYS 31 Cb 2.37 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.90 1df3 h LYS 31 CO -0.01 0.35 -0.46 0.44 -1.08 0.00 0.00 179.45 178.69 1df3 n ILE 32 N -4.81 0.28 -1.46 1.86 -5.35 -0.87 -2.18 119.36 106.83 1df3 n ILE 32 Ca 0.01 -0.19 -0.26 0.00 -0.27 0.00 0.00 62.75 62.03 1df3 n ILE 32 Cb 0.02 -0.15 0.20 0.00 -1.74 0.00 0.00 39.64 37.98 1df3 n ILE 32 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1df3 n GLU 33 N -1.95 -1.91 -1.64 6.28 1.02 -1.10 -4.48 120.64 116.86 1df3 n GLU 33 Ca 0.04 -1.71 -0.58 0.00 -0.02 0.00 0.00 57.16 54.90 1df3 n GLU 33 Cb 0.41 -1.32 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1df3 n GLU 33 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1df3 n ASP 34 N -4.15 1.54 -3.61 1.62 -0.08 -1.26 -1.94 116.55 108.67 1df3 n ASP 34 Ca 0.14 1.12 -0.22 0.00 -1.51 0.00 0.00 54.79 54.32 1df3 n ASP 34 Cb 0.52 -1.08 0.07 0.00 2.34 0.00 0.00 41.12 42.96 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 3.52 -3.73 -4.76 1.67 3.02 -1.26 -5.03 115.26 108.68 1df3 n ASN 35 Ca 0.23 -0.65 -0.31 0.00 -0.03 0.00 0.00 54.58 53.82 1df3 n ASN 35 Cb 0.11 -4.72 -0.07 0.00 -0.61 0.00 0.00 39.78 34.50 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 -3.86 2.00 0.07 7.41 0.00 -0.82 -5.06 107.32 107.07 1df3 s GLY 36 Ca 0.30 -0.99 -0.28 0.00 0.00 0.00 0.00 44.72 43.75 1df3 s GLY 36 CO 0.76 -0.94 1.64 3.45 0.00 0.00 0.00 173.10 178.01 1df3 h ASN 37 N 3.54 -0.43 -0.20 1.64 7.08 -1.83 -2.95 115.58 122.44 1df3 h ASN 37 Ca -0.47 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.72 1df3 h ASN 37 Cb 1.17 0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 37.51 1df3 h ASN 37 CO 0.64 -0.28 0.03 0.49 -2.08 0.00 0.00 177.43 176.23 1df3 n PHE 38 N -5.29 0.70 -2.71 4.14 3.72 -0.93 -4.66 117.46 112.43 1df3 n PHE 38 Ca -0.11 -0.31 -0.43 0.00 -0.05 0.00 0.00 57.45 56.55 1df3 n PHE 38 Cb 0.23 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 1df3 n PHE 38 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1df3 s ARG 39 N -1.49 3.78 -0.27 -1.08 3.52 -0.93 -4.49 118.95 117.99 1df3 s ARG 39 Ca 0.17 -1.73 -0.03 0.00 -0.13 0.00 0.00 55.73 54.02 1df3 s ARG 39 Cb 0.13 -5.26 0.09 0.00 -1.56 0.00 0.00 34.95 28.35 1df3 s ARG 39 CO 0.05 -2.05 0.10 -0.51 -0.81 0.00 0.00 175.30 172.07 1df3 s LEU 40 N 3.73 1.30 0.00 -0.88 1.43 -1.26 -4.26 118.68 118.73 1df3 s LEU 40 Ca 0.45 -1.28 0.31 0.00 -1.03 0.00 0.00 54.13 52.57 1df3 s LEU 40 Cb -0.00 -0.59 1.63 0.00 0.03 0.00 0.00 46.19 47.25 1df3 s LEU 40 CO -0.04 -0.40 2.08 0.49 0.23 0.00 0.00 176.35 178.72 1df3 n PHE 41 N 5.06 0.00 -1.43 0.29 3.72 -0.24 -4.76 117.46 120.10 1df3 n PHE 41 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1df3 n PHE 41 Cb 0.43 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1df3 n PHE 41 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1df3 n LEU 42 N -0.95 -3.98 -0.10 4.37 0.00 -1.26 -1.53 117.00 113.55 1df3 n LEU 42 Ca 0.20 1.38 -0.15 0.00 0.00 0.00 0.00 56.01 57.44 1df3 n LEU 42 Cb 0.19 -2.00 -0.06 0.00 0.00 0.00 0.00 43.42 41.55 1df3 n LEU 42 CO 0.20 -1.08 -0.65 1.21 0.00 0.00 0.00 177.39 177.07 1df3 n GLU 43 N 0.84 0.52 -3.66 1.96 2.13 -0.04 -4.31 120.64 118.08 1df3 n GLU 43 Ca 0.00 0.43 -0.15 0.00 0.66 0.00 0.00 57.16 58.11 1df3 n GLU 43 Cb 0.00 -1.62 -0.08 0.00 0.27 0.00 0.00 31.44 30.01 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 -2.45 0.75 -0.49 5.31 -2.07 -1.04 -3.24 119.66 116.43 1df3 s GLN 44 Ca -0.26 0.43 -0.15 0.00 -1.82 0.00 0.00 55.36 53.56 1df3 s GLN 44 Cb 0.06 0.36 0.09 0.00 -1.09 0.00 0.00 33.01 32.42 1df3 s GLN 44 CO 0.41 -0.16 0.42 0.42 -1.32 0.00 0.00 175.29 175.06 1df3 s ILE 45 N -0.44 5.17 0.03 3.63 1.01 -0.94 -1.92 121.20 127.74 1df3 s ILE 45 Ca -0.06 -1.21 -0.17 0.00 0.00 0.00 0.00 60.65 59.21 1df3 s ILE 45 Cb -0.03 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1df3 s ILE 45 CO 0.04 -0.66 0.50 -2.28 0.00 0.00 0.00 174.94 172.53 1df3 s HIS 46 N 1.62 3.75 -0.32 3.97 2.46 -0.83 -2.07 115.29 123.87 1df3 s HIS 46 Ca 0.04 1.13 -0.06 0.00 0.47 0.00 0.00 55.06 56.63 1df3 s HIS 46 Cb -0.26 -2.42 0.03 0.00 -0.13 0.00 0.00 32.58 29.80 1df3 s HIS 46 CO 0.05 0.57 0.09 0.08 -2.47 0.00 0.00 174.74 173.07 1df3 s VAL 47 N -0.93 3.81 0.19 0.89 1.01 -1.26 -1.40 120.40 122.70 1df3 s VAL 47 Ca 0.27 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1df3 s VAL 47 Cb -0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1df3 s VAL 47 CO 0.16 -0.09 0.27 -0.76 0.00 0.00 0.00 175.10 174.68 1df3 s LEU 48 N 1.43 4.20 0.22 3.92 1.43 -0.62 -5.02 118.68 124.24 1df3 s LEU 48 Ca -0.00 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1df3 s LEU 48 Cb -0.19 -2.77 0.32 0.00 0.03 0.00 0.00 46.19 43.58 1df3 s LEU 48 CO 0.02 0.01 1.68 -0.33 0.23 0.00 0.00 176.35 177.96 1df3 h GLU 49 N 1.85 0.17 -0.53 1.70 5.08 -2.03 -2.68 114.58 118.14 1df3 h GLU 49 Ca -0.49 -0.01 -0.39 0.00 -1.00 0.00 0.00 59.36 57.47 1df3 h GLU 49 Cb 1.21 -0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.12 1df3 h GLU 49 CO 0.65 0.11 -0.68 1.63 -1.00 0.00 0.00 179.01 179.72 1df3 n LYS 50 N -5.22 2.99 -3.64 2.33 4.76 -1.26 -5.00 118.16 113.13 1df3 n LYS 50 Ca 0.10 -3.89 -0.10 0.00 -2.87 0.00 0.00 58.31 51.54 1df3 n LYS 50 Cb 0.36 -2.08 -0.07 0.00 -1.84 0.00 0.00 35.03 31.40 1df3 n LYS 50 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1df3 s SER 51 N -3.44 -0.64 -0.40 4.39 0.15 -1.01 -2.18 113.70 110.57 1df3 s SER 51 Ca 0.47 1.19 -0.19 0.00 0.70 0.00 0.00 55.95 58.12 1df3 s SER 51 Cb 0.40 1.22 0.01 0.00 -1.71 0.00 0.00 66.02 65.94 1df3 s SER 51 CO 0.01 -0.20 0.56 -0.22 1.20 0.00 0.00 173.24 174.59 1df3 s LEU 52 N 0.56 4.48 -0.62 3.45 2.96 -0.42 -1.59 118.68 127.50 1df3 s LEU 52 Ca -0.01 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 1df3 s LEU 52 Cb -0.05 -2.63 0.09 0.00 0.50 0.00 0.00 46.19 44.11 1df3 s LEU 52 CO -0.06 -0.62 0.81 -0.69 -1.32 0.00 0.00 176.35 174.47 1df3 s VAL 53 N 2.55 4.62 -0.54 1.68 1.01 -0.49 -1.75 120.40 127.47 1df3 s VAL 53 Ca 0.20 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1df3 s VAL 53 Cb -0.15 -4.57 0.13 0.00 0.00 0.00 0.00 36.38 31.79 1df3 s VAL 53 CO 0.16 -1.26 0.50 -0.76 0.00 0.00 0.00 175.10 173.73 1df3 s LEU 54 N 3.23 6.18 -0.49 3.92 1.43 -0.38 -1.96 118.68 130.60 1df3 s LEU 54 Ca 0.16 -1.83 -0.27 0.00 -1.03 0.00 0.00 54.13 51.16 1df3 s LEU 54 Cb -0.21 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1df3 s LEU 54 CO 0.08 -0.84 1.06 -0.54 0.23 0.00 0.00 176.35 176.33 1df3 s LYS 55 N 1.54 3.60 0.45 1.70 -0.14 -0.81 -1.76 119.74 124.32 1df3 s LYS 55 Ca 0.04 0.33 0.08 0.00 -1.36 0.00 0.00 55.97 55.05 1df3 s LYS 55 Cb -0.29 -3.94 0.01 0.00 -1.68 0.00 0.00 37.83 31.93 1df3 s LYS 55 CO 0.02 -1.37 0.49 -0.06 -0.76 0.00 0.00 175.35 173.68 1df3 s PHE 56 N 4.24 2.49 -0.19 3.18 0.08 -0.60 -0.86 117.98 126.32 1df3 s PHE 56 Ca 0.42 -0.52 -0.08 0.00 0.12 0.00 0.00 56.93 56.87 1df3 s PHE 56 Cb -0.08 -2.22 0.08 0.00 -0.57 0.00 0.00 43.02 40.22 1df3 s PHE 56 CO 0.28 -0.37 0.42 -3.38 -0.10 0.00 0.00 175.22 172.07 1df3 s HIS 57 N -2.48 -0.73 0.14 0.36 -3.43 -1.26 -2.04 115.29 105.85 1df3 s HIS 57 Ca 0.51 1.45 -0.21 0.00 -0.80 0.00 0.00 55.06 56.01 1df3 s HIS 57 Cb -0.06 0.30 -0.07 0.00 -1.43 0.00 0.00 32.58 31.32 1df3 s HIS 57 CO 0.30 -0.43 0.67 -0.08 -2.00 0.00 0.00 174.74 173.21 1df3 s THR 58 N 2.11 4.58 -0.59 -5.38 -1.32 -0.98 -1.08 115.64 112.98 1df3 s THR 58 Ca -0.05 1.38 -0.17 0.00 -1.21 0.00 0.00 61.69 61.63 1df3 s THR 58 Cb -0.10 -3.96 0.12 0.00 -1.51 0.00 0.00 72.50 67.04 1df3 s THR 58 CO -0.13 0.46 0.63 -0.69 -2.21 0.00 0.00 174.62 172.68 1df3 s VAL 59 N -1.23 5.03 -0.64 5.08 1.01 -1.26 -1.39 120.40 126.99 1df3 s VAL 59 Ca 0.35 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1df3 s VAL 59 Cb -0.20 -4.43 0.16 0.00 0.00 0.00 0.00 36.38 31.91 1df3 s VAL 59 CO 0.22 -1.02 0.56 0.00 0.00 0.00 0.00 175.10 174.86 1df3 s ARG 60 N 2.09 3.08 -0.97 2.72 1.04 -0.96 -4.62 118.95 121.34 1df3 s ARG 60 Ca 0.08 -2.08 -0.11 0.00 -1.04 0.00 0.00 55.73 52.59 1df3 s ARG 60 Cb -0.26 -4.22 -0.01 0.00 -2.04 0.00 0.00 34.95 28.42 1df3 s ARG 60 CO 0.04 -1.28 0.74 -0.25 -0.04 0.00 0.00 175.30 174.51 1df3 n ASP 61 N 4.55 -5.92 0.00 -2.89 9.92 -1.26 -3.18 116.55 117.77 1df3 n ASP 61 Ca -0.01 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1df3 n ASP 61 Cb 0.42 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.32 1df3 n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1df3 n GLU 62 N -3.20 0.00 -3.27 -1.24 1.02 -1.26 -5.00 120.64 107.69 1df3 n GLU 62 Ca -0.12 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 1df3 n GLU 62 Cb 0.59 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 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 4.10 -0.82 3.49 -6.30 -1.19 -4.88 118.70 113.09 1df3 s GLU 63 Ca 0.00 0.30 -0.25 0.00 -2.50 0.00 0.00 54.97 52.51 1df3 s GLU 63 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 34.13 30.52 1df3 s GLU 63 CO 0.00 -0.27 1.51 0.00 0.02 0.00 0.00 175.26 176.51 1df3 s SER 65 N 5.34 6.29 0.25 0.00 0.01 -0.49 -4.91 113.70 120.19 1df3 s SER 65 Ca 0.48 0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.73 1df3 s SER 65 Cb -0.06 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.85 1df3 s SER 65 CO 0.07 -0.28 0.80 -1.83 0.41 0.00 0.00 173.24 172.41 1df3 s GLU 66 N 2.17 4.40 -0.12 12.44 1.03 -1.26 -2.33 118.70 135.03 1df3 s GLU 66 Ca 0.16 1.05 -0.03 0.00 0.03 0.00 0.00 54.97 56.18 1df3 s GLU 66 Cb -0.16 -2.90 0.05 0.00 -0.80 0.00 0.00 34.13 30.32 1df3 s GLU 66 CO 0.11 0.38 0.06 -1.17 -1.33 0.00 0.00 175.26 173.30 1df3 s LEU 67 N -1.91 0.45 -0.21 1.83 0.20 -0.87 -4.98 118.68 113.20 1df3 s LEU 67 Ca 0.45 -0.37 -0.21 0.00 0.69 0.00 0.00 54.13 54.69 1df3 s LEU 67 Cb -0.18 -0.30 -0.02 0.00 -0.43 0.00 0.00 46.19 45.26 1df3 s LEU 67 CO 0.22 -0.29 0.62 -0.94 -0.29 0.00 0.00 176.35 175.67 1df3 s SER 68 N 2.08 6.66 -0.33 3.68 1.04 -1.26 -1.56 113.70 124.01 1df3 s SER 68 Ca 0.03 0.80 -0.05 0.00 0.48 0.00 0.00 55.95 57.21 1df3 s SER 68 Cb -0.15 -2.34 0.05 0.00 0.10 0.00 0.00 66.02 63.68 1df3 s SER 68 CO -0.07 -0.28 0.09 -0.04 0.98 0.00 0.00 173.24 173.92 1df3 s MET 69 N 1.98 2.55 -0.77 4.02 -1.94 -0.72 -4.96 119.30 119.45 1df3 s MET 69 Ca 0.28 -1.24 -0.19 0.00 -1.71 0.00 0.00 55.69 52.83 1df3 s MET 69 Cb -0.16 -3.40 0.11 0.00 2.01 0.00 0.00 34.83 33.39 1df3 s MET 69 CO 0.10 -0.68 0.96 0.08 -0.01 0.00 0.00 175.02 175.47 1df3 s VAL 70 N 1.35 4.71 -0.52 -6.03 1.01 -1.26 -1.25 120.40 118.41 1df3 s VAL 70 Ca -0.02 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 1df3 s VAL 70 Cb -0.20 -4.66 0.13 0.00 0.00 0.00 0.00 36.38 31.65 1df3 s VAL 70 CO 0.02 -1.37 0.42 0.00 0.00 0.00 0.00 175.10 174.17 1df3 s ALA 71 N 2.87 3.52 0.38 5.51 0.00 -0.72 -4.76 121.76 128.56 1df3 s ALA 71 Ca 0.24 -2.60 -0.25 0.00 0.00 0.00 0.00 51.96 49.35 1df3 s ALA 71 Cb -0.13 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 1df3 s ALA 71 CO -0.01 -1.97 1.07 -0.51 0.00 0.00 0.00 175.76 174.35 1df3 s ASP 72 N 2.90 6.79 -0.44 0.00 1.01 -1.12 -1.30 116.67 124.51 1df3 s ASP 72 Ca 0.06 2.11 -0.28 0.00 0.71 0.00 0.00 52.55 55.14 1df3 s ASP 72 Cb -0.26 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.07 1df3 s ASP 72 CO 0.00 -0.47 1.56 -0.54 0.21 0.00 0.00 175.17 175.93 1df3 s LYS 73 N -2.33 3.36 -0.23 8.23 1.02 -0.93 -2.26 119.74 126.60 1df3 s LYS 73 Ca 0.56 0.93 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 1df3 s LYS 73 Cb -0.24 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 1df3 s LYS 73 CO 0.31 -1.84 0.11 0.95 -0.92 0.00 0.00 175.35 173.95 1df3 s THR 74 N 6.32 4.88 -1.32 2.17 -4.23 -0.62 -5.01 115.64 117.83 1df3 s THR 74 Ca 0.65 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 1df3 s THR 74 Cb -0.15 -3.26 0.14 0.00 1.34 0.00 0.00 72.50 70.57 1df3 s THR 74 CO 0.30 0.36 1.95 -0.62 -0.54 0.00 0.00 174.62 176.07 1df3 n GLU 75 N 4.35 3.46 -3.62 3.99 4.71 -1.26 -2.38 120.64 129.89 1df3 n GLU 75 Ca -0.16 -3.33 -0.28 0.00 -0.01 0.00 0.00 57.16 53.38 1df3 n GLU 75 Cb 0.52 -3.00 -0.11 0.00 -1.01 0.00 0.00 31.44 27.84 1df3 n GLU 75 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1df3 s LYS 76 N 0.98 1.53 -1.16 3.49 2.36 -1.26 -4.88 119.74 120.79 1df3 s LYS 76 Ca 0.41 -2.56 -0.13 0.00 -2.55 0.00 0.00 55.97 51.14 1df3 s LYS 76 Cb 0.11 -2.26 -0.02 0.00 -1.05 0.00 0.00 37.83 34.61 1df3 s LYS 76 CO -0.02 -1.33 0.78 0.00 1.55 0.00 0.00 175.35 176.34 1df3 n ALA 77 N 2.59 -2.42 -3.08 3.13 0.00 -1.26 -4.19 120.51 115.29 1df3 n ALA 77 Ca 0.24 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1df3 n ALA 77 Cb 0.42 -3.95 0.07 0.00 0.00 0.00 0.00 19.45 15.99 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 -1.60 -0.40 3.60 0.00 0.00 -0.99 -4.44 105.19 101.35 1df3 n GLY 78 Ca -0.14 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.77 2.13 -0.06 1.61 2.12 -1.00 -4.26 118.70 114.48 1df3 s GLU 79 Ca 0.13 -1.42 -0.02 0.00 0.36 0.00 0.00 54.97 54.02 1df3 s GLU 79 Cb -0.02 -2.11 0.03 0.00 0.26 0.00 0.00 34.13 32.30 1df3 s GLU 79 CO 0.59 0.38 0.06 0.71 -0.54 0.00 0.00 175.26 176.47 1df3 s TYR 80 N -2.14 0.13 -0.19 5.30 2.02 -0.95 -1.58 117.35 119.93 1df3 s TYR 80 Ca 0.29 0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 57.07 1df3 s TYR 80 Cb -0.07 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 1df3 s TYR 80 CO 0.18 -0.23 0.09 -1.54 -1.57 0.00 0.00 175.55 172.48 1df3 s SER 81 N 2.15 5.90 -0.10 2.29 1.04 -0.96 -2.11 113.70 121.91 1df3 s SER 81 Ca 0.05 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 1df3 s SER 81 Cb -0.12 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.00 1df3 s SER 81 CO -0.04 0.18 0.33 0.54 0.98 0.00 0.00 173.24 175.23 1df3 s VAL 82 N 0.36 0.01 -0.54 5.02 0.11 -0.97 -2.79 120.40 121.61 1df3 s VAL 82 Ca 0.05 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 1df3 s VAL 82 Cb -0.12 -0.51 0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1df3 s VAL 82 CO -0.01 -0.06 0.77 -0.89 -3.33 0.00 0.00 175.10 171.58 1df3 s THR 83 N -0.15 4.65 -0.20 5.04 2.01 -1.26 -1.76 115.64 123.97 1df3 s THR 83 Ca -0.03 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1df3 s THR 83 Cb -0.03 -4.42 0.10 0.00 0.01 0.00 0.00 72.50 68.16 1df3 s THR 83 CO 0.01 -0.98 0.35 -0.47 -0.69 0.00 0.00 174.62 172.84 1df3 s TYR 84 N 3.22 -0.66 -0.76 4.92 5.04 -1.26 -5.01 117.35 122.84 1df3 s TYR 84 Ca 0.21 1.01 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1df3 s TYR 84 Cb -0.17 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1df3 s TYR 84 CO 0.14 -0.55 0.65 -0.25 -1.34 0.00 0.00 175.55 174.21 1df3 n ASP 85 N 5.36 -6.50 0.00 4.32 9.92 -1.26 -4.39 116.55 124.01 1df3 n ASP 85 Ca -0.06 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 1df3 n ASP 85 Cb 0.50 -3.68 0.00 0.00 -0.64 0.00 0.00 41.12 37.29 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 -1.65 0.97 2.92 0.44 0.00 -1.26 -4.85 105.19 101.76 1df3 n GLY 86 Ca -0.14 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.00 -0.52 1.61 5.36 -1.04 -4.80 117.98 117.59 1df3 s PHE 87 Ca 0.00 0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 56.21 1df3 s PHE 87 Cb 0.00 -0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.62 1df3 s PHE 87 CO 0.00 -0.93 0.81 0.54 -1.46 0.00 0.00 175.22 174.17 1df3 s ASN 88 N 2.56 6.31 -0.39 6.13 2.20 -0.72 -2.05 114.94 128.96 1df3 s ASN 88 Ca 0.11 -0.51 -0.14 0.00 -0.94 0.00 0.00 52.86 51.37 1df3 s ASN 88 Cb -0.13 -2.38 0.01 0.00 -2.00 0.00 0.00 41.25 36.76 1df3 s ASN 88 CO -0.27 -1.06 0.28 0.42 -2.94 0.00 0.00 177.10 173.52 1df3 s THR 89 N 3.39 5.20 -0.12 0.54 -4.23 -0.81 -2.30 115.64 117.31 1df3 s THR 89 Ca 0.25 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1df3 s THR 89 Cb -0.15 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 1df3 s THR 89 CO 0.17 -0.25 -0.17 0.72 -0.54 0.00 0.00 174.62 174.56 1df3 s PHE 90 N 1.68 2.73 -0.02 3.99 -0.12 -0.90 -2.10 117.98 123.25 1df3 s PHE 90 Ca 0.05 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1df3 s PHE 90 Cb -0.19 -1.81 -0.04 0.00 -0.63 0.00 0.00 43.02 40.36 1df3 s PHE 90 CO 0.10 -0.29 0.00 0.95 -0.05 0.00 0.00 175.22 175.93 1df3 s THR 91 N 0.38 4.21 -0.56 -4.49 -4.23 -0.83 -2.25 115.64 107.88 1df3 s THR 91 Ca -0.13 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1df3 s THR 91 Cb -0.16 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 70.96 1df3 s THR 91 CO 0.06 0.43 0.43 -0.63 -0.54 0.00 0.00 174.62 174.37 1df3 s ILE 92 N -1.05 4.27 0.12 2.99 1.01 -1.25 -1.51 121.20 125.78 1df3 s ILE 92 Ca 0.18 -2.20 -0.14 0.00 0.00 0.00 0.00 60.65 58.50 1df3 s ILE 92 Cb -0.11 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1df3 s ILE 92 CO 0.09 -0.84 1.48 1.55 0.00 0.00 0.00 174.94 177.22 1df3 h PRO 93 N 7.98 0.77 -2.92 2.79 0.13 -1.84 -1.92 132.00 136.98 1df3 h PRO 93 Ca -0.11 -0.35 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 1df3 h PRO 93 Cb 1.04 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.76 1df3 h PRO 93 CO 0.80 0.98 -0.75 0.15 -0.23 0.00 0.00 178.00 178.94 1df3 s LYS 94 N -4.56 1.22 -0.34 0.86 -0.14 -1.24 -4.21 119.74 111.33 1df3 s LYS 94 Ca -0.12 -1.97 -0.10 0.00 -1.36 0.00 0.00 55.97 52.42 1df3 s LYS 94 Cb 0.10 -2.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.04 1df3 s LYS 94 CO 0.83 -1.18 0.18 -0.08 -0.76 0.00 0.00 175.35 174.34 1df3 s THR 95 N 0.38 4.62 -0.32 2.17 -1.32 -1.02 -1.91 115.64 118.24 1df3 s THR 95 Ca 0.18 -0.58 0.23 0.00 -1.21 0.00 0.00 61.69 60.32 1df3 s THR 95 Cb -0.23 -3.44 0.14 0.00 -1.51 0.00 0.00 72.50 67.46 1df3 s THR 95 CO -0.01 -0.05 1.27 -0.78 -2.21 0.00 0.00 174.62 172.84 1df3 h ASP 96 N 8.39 0.00 -6.37 8.08 3.58 -1.66 -2.72 116.42 125.73 1df3 h ASP 96 Ca -0.30 -0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.67 1df3 h ASP 96 Cb 1.13 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.12 1df3 h ASP 96 CO 0.64 0.00 -0.77 0.00 -2.88 0.00 0.00 179.24 176.22 1df3 n TYR 97 N -2.85 -2.21 0.07 0.28 0.18 -1.22 -4.58 117.16 106.83 1df3 n TYR 97 Ca 0.02 0.89 0.00 0.00 1.88 0.00 0.00 57.90 60.68 1df3 n TYR 97 Cb 0.54 -3.84 0.00 0.00 -0.38 0.00 0.00 39.34 35.67 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 -2.81 -1.20 -0.04 9.48 2.03 -1.26 -4.91 116.55 117.83 1df3 n ASP 98 Ca 0.04 0.47 -0.05 0.00 0.52 0.00 0.00 54.79 55.77 1df3 n ASP 98 Cb 0.53 1.38 -0.02 0.00 -0.72 0.00 0.00 41.12 42.29 1df3 n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1df3 n ASN 99 N -2.89 1.07 -4.45 1.67 4.13 -1.26 -4.61 115.26 108.91 1df3 n ASN 99 Ca 0.00 0.18 -0.22 0.00 1.68 0.00 0.00 54.58 56.22 1df3 n ASN 99 Cb 0.00 -0.58 -0.11 0.00 -1.54 0.00 0.00 39.78 37.55 1df3 n ASN 99 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1df3 s PHE 100 N -2.04 1.97 -0.30 3.10 -0.12 -1.26 -2.69 117.98 116.64 1df3 s PHE 100 Ca -0.15 -0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 55.83 1df3 s PHE 100 Cb 0.02 -1.26 0.19 0.00 -0.63 0.00 0.00 43.02 41.34 1df3 s PHE 100 CO 0.22 0.08 0.66 -1.17 -0.05 0.00 0.00 175.22 174.96 1df3 s LEU 101 N -3.48 -1.29 -0.34 -1.99 0.20 -0.23 -1.85 118.68 109.70 1df3 s LEU 101 Ca 0.35 0.69 -0.19 0.00 0.69 0.00 0.00 54.13 55.67 1df3 s LEU 101 Cb 0.08 2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 47.87 1df3 s LEU 101 CO 0.15 -0.24 0.55 -0.04 -0.29 0.00 0.00 176.35 176.47 1df3 s MET 102 N 2.87 3.70 -0.22 1.98 -1.94 -0.80 -1.10 119.30 123.79 1df3 s MET 102 Ca 0.17 -0.03 -0.05 0.00 -1.71 0.00 0.00 55.69 54.07 1df3 s MET 102 Cb -0.13 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 32.90 1df3 s MET 102 CO -0.21 -0.63 -0.01 0.00 -0.01 0.00 0.00 175.02 174.17 1df3 s ALA 103 N 2.47 2.95 -0.47 3.03 0.00 -0.95 -3.34 121.76 125.44 1df3 s ALA 103 Ca 0.21 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 1df3 s ALA 103 Cb -0.15 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1df3 s ALA 103 CO 0.13 -0.36 0.62 -1.58 0.00 0.00 0.00 175.76 174.57 1df3 s HIS 104 N 1.37 3.06 -0.25 0.00 2.46 -0.57 -2.29 115.29 119.07 1df3 s HIS 104 Ca 0.04 -0.32 -0.14 0.00 0.47 0.00 0.00 55.06 55.12 1df3 s HIS 104 Cb -0.15 -3.40 -0.04 0.00 -0.13 0.00 0.00 32.58 28.87 1df3 s HIS 104 CO -0.00 -0.94 0.34 -1.17 -2.47 0.00 0.00 174.74 170.50 1df3 s LEU 105 N 2.69 4.07 -0.42 8.88 0.20 -0.52 -1.96 118.68 131.62 1df3 s LEU 105 Ca 0.18 0.29 -0.04 0.00 0.69 0.00 0.00 54.13 55.25 1df3 s LEU 105 Cb -0.17 -2.38 0.11 0.00 -0.43 0.00 0.00 46.19 43.32 1df3 s LEU 105 CO 0.15 -0.12 0.23 -0.63 -0.29 0.00 0.00 176.35 175.69 1df3 s ILE 106 N 1.76 3.46 -0.25 6.68 1.01 -0.89 -1.43 121.20 131.54 1df3 s ILE 106 Ca 0.14 -1.99 -0.11 0.00 0.00 0.00 0.00 60.65 58.69 1df3 s ILE 106 Cb -0.15 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1df3 s ILE 106 CO 0.09 -0.69 0.20 0.21 0.00 0.00 0.00 174.94 174.75 1df3 s ASN 107 N 1.97 6.14 -0.66 3.58 3.84 -0.91 -1.93 114.94 126.97 1df3 s ASN 107 Ca 0.08 0.14 -0.22 0.00 0.21 0.00 0.00 52.86 53.06 1df3 s ASN 107 Cb -0.23 -2.13 0.07 0.00 -0.55 0.00 0.00 41.25 38.41 1df3 s ASN 107 CO -0.03 0.01 0.96 -1.61 -2.79 0.00 0.00 177.10 173.63 1df3 s GLU 108 N 1.29 3.11 -1.13 0.43 8.01 -0.87 -1.75 118.70 127.78 1df3 s GLU 108 Ca 0.09 -0.86 -0.09 0.00 0.01 0.00 0.00 54.97 54.13 1df3 s GLU 108 Cb -0.14 -4.23 0.26 0.00 -4.31 0.00 0.00 34.13 25.71 1df3 s GLU 108 CO 0.06 -1.81 1.29 1.17 0.01 0.00 0.00 175.26 175.99 1df3 n LYS 109 N 7.66 3.73 -3.55 1.61 3.00 -0.82 -2.49 118.16 127.29 1df3 n LYS 109 Ca -0.04 -4.34 -0.26 0.00 -0.00 0.00 0.00 58.31 53.68 1df3 n LYS 109 Cb 0.45 -2.64 0.04 0.00 0.00 0.00 0.00 35.03 32.89 1df3 n LYS 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1df3 n ASP 110 N 2.88 -5.77 -1.41 3.14 9.92 -1.26 -2.73 116.55 121.33 1df3 n ASP 110 Ca 0.27 -0.89 -0.17 0.00 -0.53 0.00 0.00 54.79 53.48 1df3 n ASP 110 Cb 0.38 -3.80 -0.06 0.00 -0.64 0.00 0.00 41.12 37.00 1df3 n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1df3 n GLY 111 N -1.60 1.33 2.75 0.44 0.00 -1.26 -5.01 105.19 101.85 1df3 n GLY 111 Ca -0.09 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.68 0.96 -0.36 1.61 2.12 -1.10 -5.11 118.70 113.13 1df3 s GLU 112 Ca 0.00 -1.44 -0.23 0.00 0.36 0.00 0.00 54.97 53.66 1df3 s GLU 112 Cb 0.00 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.20 1df3 s GLU 112 CO 0.00 -1.04 0.79 0.99 -0.54 0.00 0.00 175.26 175.46 1df3 s THR 113 N 1.15 4.73 -0.16 -1.70 2.01 -1.26 -1.95 115.64 118.46 1df3 s THR 113 Ca 0.12 0.93 -0.06 0.00 0.31 0.00 0.00 61.69 62.99 1df3 s THR 113 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1df3 s THR 113 CO -0.15 -0.42 0.06 0.72 -0.69 0.00 0.00 174.62 174.14 1df3 s PHE 114 N 3.11 3.28 -0.15 4.92 -0.12 -0.72 -4.98 117.98 123.32 1df3 s PHE 114 Ca 0.32 0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 57.22 1df3 s PHE 114 Cb -0.13 -2.01 -0.05 0.00 -0.63 0.00 0.00 43.02 40.20 1df3 s PHE 114 CO 0.17 0.28 0.25 1.14 -0.05 0.00 0.00 175.22 177.01 1df3 s GLN 115 N -0.01 4.12 -0.29 1.99 -2.07 -1.26 -2.13 119.66 120.01 1df3 s GLN 115 Ca 0.06 0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 1df3 s GLN 115 Cb -0.12 -3.38 0.09 0.00 -1.09 0.00 0.00 33.01 28.51 1df3 s GLN 115 CO 0.01 0.35 0.06 -1.17 -1.32 0.00 0.00 175.29 173.22 1df3 s LEU 116 N 0.15 2.60 -0.23 2.60 0.20 -0.51 -2.90 118.68 120.58 1df3 s LEU 116 Ca 0.15 -1.58 -0.07 0.00 0.69 0.00 0.00 54.13 53.32 1df3 s LEU 116 Cb -0.13 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 1df3 s LEU 116 CO 0.03 -0.37 0.05 -0.32 -0.29 0.00 0.00 176.35 175.45 1df3 s MET 117 N 1.49 3.66 -0.03 1.98 1.75 -0.86 -1.44 119.30 125.86 1df3 s MET 117 Ca 0.07 -0.48 0.07 0.00 -1.25 0.00 0.00 55.69 54.10 1df3 s MET 117 Cb -0.18 -3.25 -0.02 0.00 2.84 0.00 0.00 34.83 34.22 1df3 s MET 117 CO -0.18 -0.11 -0.23 0.20 -0.65 0.00 0.00 175.02 174.05 1df3 s GLY 118 N 1.38 1.15 -0.08 2.11 0.00 -0.97 -3.39 107.32 107.52 1df3 s GLY 118 Ca 0.05 -0.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.51 1df3 s GLY 118 CO 0.03 -0.77 0.88 -2.27 0.00 0.00 0.00 173.10 170.97 1df3 s LEU 119 N -0.45 4.28 0.12 0.66 2.96 -0.11 -2.24 118.68 123.91 1df3 s LEU 119 Ca 0.06 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 1df3 s LEU 119 Cb -0.10 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1df3 s LEU 119 CO 0.00 -0.30 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.21 1df3 s TYR 120 N 1.48 1.82 -0.01 5.38 2.02 -0.26 -1.45 117.35 126.34 1df3 s TYR 120 Ca 0.44 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.48 1df3 s TYR 120 Cb -0.18 -0.97 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1df3 s TYR 120 CO 0.19 0.25 0.50 0.20 -1.57 0.00 0.00 175.55 175.13 1df3 s GLY 121 N -2.16 -0.38 0.21 0.71 0.00 -0.77 -1.07 107.32 103.85 1df3 s GLY 121 Ca 0.10 0.74 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 1df3 s GLY 121 CO 0.05 0.45 1.76 3.21 0.00 0.00 0.00 173.10 178.58 1df3 h ARG 122 N 3.20 1.15 -7.20 2.90 2.47 -1.75 -1.18 114.38 113.97 1df3 h ARG 122 Ca -0.29 -0.22 -0.49 0.00 -1.26 0.00 0.00 59.98 57.72 1df3 h ARG 122 Cb 1.18 -0.18 0.05 0.00 -1.65 0.00 0.00 29.97 29.37 1df3 h ARG 122 CO 0.40 0.95 0.38 -1.21 0.56 0.00 0.00 179.97 181.05 1df3 s GLU 123 N -5.50 3.50 0.55 0.04 2.02 -1.26 -4.77 118.70 113.27 1df3 s GLU 123 Ca -0.12 1.11 0.26 0.00 0.02 0.00 0.00 54.97 56.24 1df3 s GLU 123 Cb 0.15 -2.06 1.45 0.00 0.10 0.00 0.00 34.13 33.77 1df3 s GLU 123 CO 0.84 -0.66 2.00 -1.35 0.02 0.00 0.00 175.26 176.11 1df3 h PRO 124 N 0.53 0.00 -3.26 0.39 0.11 -1.97 -3.43 132.00 124.37 1df3 h PRO 124 Ca -0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1df3 h PRO 124 Cb 1.21 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1df3 h PRO 124 CO 0.59 0.00 -0.55 0.16 -0.21 0.00 0.00 178.00 177.99 1df3 s ASP 125 N -5.99 -0.16 0.66 -2.05 1.47 -1.26 -4.10 116.67 105.23 1df3 s ASP 125 Ca -0.05 0.35 0.00 0.00 1.18 0.00 0.00 52.55 54.03 1df3 s ASP 125 Cb 0.18 0.29 0.10 0.00 -0.34 0.00 0.00 42.92 43.15 1df3 s ASP 125 CO 0.67 -0.11 0.92 -0.76 0.68 0.00 0.00 175.17 176.57 1df3 s LEU 126 N 0.69 3.07 0.54 2.11 1.43 -1.26 -5.10 118.68 120.16 1df3 s LEU 126 Ca -0.05 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 1df3 s LEU 126 Cb -0.07 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1df3 s LEU 126 CO -0.04 -1.62 1.08 -0.55 0.23 0.00 0.00 176.35 175.46 1df3 s SER 127 N -4.64 5.92 0.38 2.29 0.15 -1.26 -4.91 113.70 111.63 1df3 s SER 127 Ca 0.63 2.02 0.10 0.00 0.70 0.00 0.00 55.95 59.41 1df3 s SER 127 Cb -0.07 -2.56 0.88 0.00 -1.71 0.00 0.00 66.02 62.55 1df3 s SER 127 CO 0.42 -1.08 1.91 0.77 1.20 0.00 0.00 173.24 176.46 1df3 h SER 128 N 1.15 0.57 -0.47 5.45 4.64 -1.99 -1.97 113.55 120.92 1df3 h SER 128 Ca -0.49 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1df3 h SER 128 Cb 1.24 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1df3 h SER 128 CO 0.58 0.31 -0.02 0.44 -0.87 0.00 0.00 176.83 177.27 1df3 h ASP 129 N 0.61 0.84 -0.29 4.97 5.19 -1.99 -2.01 116.42 123.75 1df3 h ASP 129 Ca 0.39 -0.32 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1df3 h ASP 129 Cb 0.65 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 1df3 h ASP 129 CO -0.15 0.95 0.10 0.40 -3.12 0.00 0.00 179.24 177.42 1df3 h ILE 130 N 0.70 0.93 -0.52 0.35 1.08 -1.86 -1.54 117.51 116.65 1df3 h ILE 130 Ca 0.13 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1df3 h ILE 130 Cb 0.53 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1df3 h ILE 130 CO 0.03 0.04 0.35 0.11 -0.69 0.00 0.00 178.15 177.99 1df3 h LYS 131 N 0.23 0.52 -0.28 2.37 1.57 -1.42 -2.18 116.57 117.38 1df3 h LYS 131 Ca 0.13 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1df3 h LYS 131 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1df3 h LYS 131 CO -0.13 0.34 0.06 1.49 -0.57 0.00 0.00 179.45 180.64 1df3 h GLU 132 N 0.53 0.45 -0.70 3.15 4.22 -1.12 -1.65 114.58 119.46 1df3 h GLU 132 Ca 0.22 -0.11 0.15 0.00 0.08 0.00 0.00 59.36 59.70 1df3 h GLU 132 Cb 0.20 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 1df3 h GLU 132 CO -0.06 0.54 0.08 0.00 -2.18 0.00 0.00 179.01 177.39 1df3 h ARG 133 N 0.28 0.17 0.01 1.92 -0.00 -1.07 -0.84 114.38 114.85 1df3 h ARG 133 Ca 0.09 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.57 1df3 h ARG 133 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.21 1df3 h ARG 133 CO 0.00 0.11 -0.12 0.35 0.00 0.00 0.00 179.97 180.32 1df3 h PHE 134 N 0.18 -0.30 -0.67 3.04 3.57 -1.39 -2.33 116.94 119.04 1df3 h PHE 134 Ca 0.39 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 1df3 h PHE 134 Cb 0.66 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1df3 h PHE 134 CO -0.33 -0.18 0.35 0.00 -2.23 0.00 0.00 178.31 175.92 1df3 h ALA 135 N 0.76 0.86 -0.33 2.41 0.00 -0.90 0.12 119.26 122.17 1df3 h ALA 135 Ca 0.04 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1df3 h ALA 135 Cb 0.25 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1df3 h ALA 135 CO -0.11 0.39 0.04 0.37 0.00 0.00 0.00 179.25 179.94 1df3 h GLN 136 N 0.92 0.14 -0.89 0.00 -0.00 -1.26 -2.60 115.11 111.42 1df3 h GLN 136 Ca 0.23 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.88 1df3 h GLN 136 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.48 1df3 h GLN 136 CO -0.03 0.09 0.59 1.25 0.00 0.00 0.00 178.83 180.73 1df3 h LEU 137 N 0.15 1.02 0.14 -2.39 5.85 -1.23 -2.22 115.31 116.64 1df3 h LEU 137 Ca 0.16 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1df3 h LEU 137 Cb 0.19 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1df3 h LEU 137 CO -0.23 0.74 -0.09 0.00 -0.34 0.00 0.00 178.44 178.52 1df3 h GLU 139 N -0.23 1.28 -0.83 0.00 4.81 -1.52 -1.13 114.58 116.97 1df3 h GLU 139 Ca -0.01 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1df3 h GLU 139 Cb 0.19 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1df3 h GLU 139 CO 0.01 0.87 0.44 1.49 -0.73 0.00 0.00 179.01 181.10 1df3 h GLU 140 N 1.31 1.16 -0.44 1.92 4.57 -1.36 -3.28 114.58 118.46 1df3 h GLU 140 Ca 0.35 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.24 1df3 h GLU 140 Cb -0.10 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.26 1df3 h GLU 140 CO -0.07 0.86 -0.28 0.45 -1.18 0.00 0.00 179.01 178.80 1df3 h HIS 141 N 1.15 1.12 0.00 0.92 3.86 -1.08 -3.49 115.15 117.64 1df3 h HIS 141 Ca 0.29 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1df3 h HIS 141 Cb 0.05 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1df3 h HIS 141 CO 0.01 1.12 0.00 0.41 0.86 0.00 0.00 177.93 180.33 1df3 n GLY 142 N -0.01 1.83 3.33 2.45 0.00 -0.69 -5.11 105.19 107.00 1df3 n GLY 142 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.20 0.47 -0.61 1.01 -0.51 -4.96 121.20 117.79 1df3 s ILE 143 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 1df3 s ILE 143 Cb 0.00 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 1df3 s ILE 143 CO 0.00 0.47 1.40 -0.76 0.00 0.00 0.00 174.94 176.06 1df3 s LEU 144 N 0.98 4.05 0.00 2.97 1.43 -1.26 -3.82 118.68 123.03 1df3 s LEU 144 Ca -0.01 2.86 0.22 0.00 -1.03 0.00 0.00 54.13 56.17 1df3 s LEU 144 Cb -0.15 -4.02 1.15 0.00 0.03 0.00 0.00 46.19 43.21 1df3 s LEU 144 CO -0.00 -1.25 1.69 0.54 0.23 0.00 0.00 176.35 177.56 1df3 n ARG 145 N -0.38 0.42 0.01 1.70 1.74 -1.26 -3.22 116.66 115.66 1df3 n ARG 145 Ca 0.06 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 1df3 n ARG 145 Cb 0.43 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1df3 n ARG 145 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1df3 h GLU 146 N 0.00 0.66 0.00 5.56 4.39 -2.02 -3.34 114.58 119.83 1df3 h GLU 146 Ca 0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1df3 h GLU 146 Cb 0.14 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1df3 h GLU 146 CO 0.00 1.19 0.00 0.27 -1.16 0.00 0.00 179.01 179.31 1df3 n ASN 147 N -3.88 0.21 -4.60 1.42 0.23 -1.20 -4.89 115.26 102.54 1df3 n ASN 147 Ca -0.07 0.54 -0.43 0.00 -0.53 0.00 0.00 54.58 54.09 1df3 n ASN 147 Cb 0.77 -0.59 -0.02 0.00 -2.08 0.00 0.00 39.78 37.85 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 -3.08 3.90 -0.34 1.53 1.01 -1.25 -4.47 121.20 118.49 1df3 s ILE 148 Ca 0.08 0.91 -0.18 0.00 0.00 0.00 0.00 60.65 61.46 1df3 s ILE 148 Cb 0.12 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1df3 s ILE 148 CO 0.37 -0.79 0.50 -0.63 0.00 0.00 0.00 174.94 174.40 1df3 s ILE 149 N 5.48 5.03 -0.57 2.92 1.01 -0.98 -5.02 121.20 129.07 1df3 s ILE 149 Ca 0.61 0.39 -0.17 0.00 0.00 0.00 0.00 60.65 61.47 1df3 s ILE 149 Cb -0.13 -3.94 0.12 0.00 0.01 0.00 0.00 42.46 38.52 1df3 s ILE 149 CO 0.32 -0.17 0.59 -1.81 0.00 0.00 0.00 174.94 173.87 1df3 s ASP 150 N 1.74 6.19 -0.01 3.58 1.01 -1.26 -1.91 116.67 126.00 1df3 s ASP 150 Ca 0.19 -1.64 -0.18 0.00 0.71 0.00 0.00 52.55 51.62 1df3 s ASP 150 Cb -0.15 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.42 1df3 s ASP 150 CO 0.13 -0.97 0.80 -0.07 0.21 0.00 0.00 175.17 175.26 1df3 h LEU 151 N 9.37 -0.55 0.87 1.23 -0.00 -1.70 -3.47 115.31 121.06 1df3 h LEU 151 Ca -0.29 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.55 1df3 h LEU 151 Cb 1.09 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 1df3 h LEU 151 CO 1.07 -0.18 -0.05 -1.54 -0.00 0.00 0.00 178.44 177.74 1df3 n SER 152 N -4.96 -0.83 0.02 -0.43 3.41 -1.02 -3.59 113.62 106.23 1df3 n SER 152 Ca -0.08 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1df3 n SER 152 Cb 0.26 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1df3 n SER 152 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1df3 n ASN 153 N 0.87 -0.41 -4.56 4.04 5.15 -1.26 -4.60 115.26 114.49 1df3 n ASN 153 Ca -0.03 0.34 -0.43 0.00 -0.60 0.00 0.00 54.58 53.87 1df3 n ASN 153 Cb 0.10 0.66 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1df3 n ALA 154 N -2.51 3.60 0.00 5.20 0.00 -1.24 -3.80 120.51 121.77 1df3 n ALA 154 Ca 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1df3 n ALA 154 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 15.88 1df3 n ALA 154 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1df3 n ASN 155 N 8.17 0.00 -4.68 0.00 6.94 -1.26 -4.90 115.26 119.52 1df3 n ASN 155 Ca 0.48 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.62 1df3 n ASN 155 Cb 0.46 0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.90 1df3 n ASN 155 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1df3 s ARG 156 N -1.25 4.27 -0.30 -3.83 6.06 -1.25 -4.79 118.95 117.85 1df3 s ARG 156 Ca 0.00 1.91 -0.29 0.00 -2.50 0.00 0.00 55.73 54.86 1df3 s ARG 156 Cb 0.00 -3.65 -0.02 0.00 0.06 0.00 0.00 34.95 31.34 1df3 s ARG 156 CO 0.00 -0.61 1.74 0.00 -2.50 0.00 0.00 175.30 173.93 1df3 s LEU 158 N 6.41 0.52 0.03 0.00 1.98 -1.26 -5.14 118.68 121.22 1df3 s LEU 158 Ca 0.77 0.50 -0.30 0.00 -2.89 0.00 0.00 54.13 52.21 1df3 s LEU 158 Cb -0.23 0.72 -0.07 0.00 0.66 0.00 0.00 46.19 47.27 1df3 s LEU 158 CO 0.33 -0.15 1.63 -1.58 -1.89 0.00 0.00 176.35 174.69 1df3 s GLN 159 N 1.10 4.20 -0.10 1.98 2.00 -1.26 -4.98 119.66 122.61 1df3 s GLN 159 Ca -0.08 2.26 -0.29 0.00 -2.00 0.00 0.00 55.36 55.25 1df3 s GLN 159 Cb -0.09 -3.71 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 1df3 s GLN 159 CO -0.07 -0.75 0.97 0.00 -0.50 0.00 0.00 175.29 174.94 1df3 s ALA 160 N 3.02 3.38 -0.09 1.58 0.00 -1.26 -5.04 121.76 123.35 1df3 s ALA 160 Ca 0.73 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1df3 s ALA 160 Cb -0.37 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1df3 s ALA 160 CO 0.31 -0.53 0.95 -0.98 0.00 0.00 0.00 175.76 175.51 1df3 s ARG 161 N 1.83 4.44 0.00 0.00 1.04 -1.26 -5.13 118.95 119.87 1df3 s ARG 161 Ca 0.47 1.31 0.00 0.00 -1.04 0.00 0.00 55.73 56.47 1df3 s ARG 161 Cb -0.18 -3.52 0.00 0.00 -2.04 0.00 0.00 34.95 29.21 1df3 s ARG 161 CO 0.19 -0.22 0.00 0.39 -0.04 0.00 0.00 175.30 175.61