#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 -1.87 -4.40 3.44 4.71 -1.13 -5.00 120.64 116.40 1df3 n GLU 2 Ca 0.00 1.78 -0.30 0.00 -0.01 0.00 0.00 57.16 58.63 1df3 n GLU 2 Cb 0.00 -4.92 -0.11 0.00 -1.01 0.00 0.00 31.44 25.40 1df3 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1df3 s ALA 3 N -2.37 2.72 -0.25 0.62 0.00 -0.64 -4.75 121.76 117.08 1df3 s ALA 3 Ca 0.18 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.66 1df3 s ALA 3 Cb -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1df3 s ALA 3 CO 0.63 0.60 0.70 -1.12 0.00 0.00 0.00 175.76 176.56 1df3 s SER 4 N -1.92 6.66 -1.01 0.00 0.01 -1.24 -2.94 113.70 113.27 1df3 s SER 4 Ca 0.18 0.81 -0.21 0.00 1.31 0.00 0.00 55.95 58.04 1df3 s SER 4 Cb -0.11 -2.37 0.08 0.00 0.21 0.00 0.00 66.02 63.84 1df3 s SER 4 CO 0.09 -0.43 1.35 -0.55 0.41 0.00 0.00 173.24 174.11 1df3 s SER 5 N 1.43 6.59 0.00 2.44 0.15 -0.54 -3.72 113.70 120.05 1df3 s SER 5 Ca 0.29 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1df3 s SER 5 Cb -0.15 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1df3 s SER 5 CO 0.08 -1.30 0.00 1.07 1.20 0.00 0.00 173.24 174.29 1df3 n THR 6 N 6.27 0.00 -1.77 6.45 5.66 -1.13 -3.85 114.28 125.91 1df3 n THR 6 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 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 -1.06 4.40 3.46 1.09 0.00 -1.25 -2.58 105.19 109.24 1df3 n GLY 7 Ca 0.00 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 2.45 3.79 0.20 1.61 0.52 -1.26 -4.26 118.95 122.00 1df3 s ARG 8 Ca 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 55.73 53.13 1df3 s ARG 8 Cb 0.00 -4.97 0.00 0.00 0.52 0.00 0.00 34.95 30.50 1df3 s ARG 8 CO 0.00 -1.77 0.00 -1.71 0.02 0.00 0.00 175.30 171.84 1df3 n ASN 9 N 6.20 -1.82 -4.75 0.23 5.15 -1.26 -5.14 115.26 113.87 1df3 n ASN 9 Ca 0.29 0.43 -0.41 0.00 -0.60 0.00 0.00 54.58 54.28 1df3 n ASN 9 Cb 0.47 1.93 -0.02 0.00 -0.53 0.00 0.00 39.78 41.63 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 2.97 -0.23 1.20 5.36 -1.24 -4.95 117.98 119.08 1df3 s PHE 10 Ca 0.00 1.09 -0.03 0.00 -0.96 0.00 0.00 56.93 57.03 1df3 s PHE 10 Cb 0.00 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1df3 s PHE 10 CO 0.00 -2.61 -0.04 1.21 -1.46 0.00 0.00 175.22 172.32 1df3 s ASN 11 N 0.18 4.34 0.18 6.13 2.47 -1.26 -5.04 114.94 121.93 1df3 s ASN 11 Ca 0.57 -0.56 -0.14 0.00 0.42 0.00 0.00 52.86 53.15 1df3 s ASN 11 Cb -0.42 -1.72 0.13 0.00 -1.45 0.00 0.00 41.25 37.79 1df3 s ASN 11 CO 0.47 -0.07 1.77 -0.37 -3.72 0.00 0.00 177.10 175.18 1df3 h VAL 12 N 5.85 0.90 -0.40 -5.21 -1.51 -1.96 -3.29 116.25 110.63 1df3 h VAL 12 Ca -0.38 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 1df3 h VAL 12 Cb 1.14 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1df3 h VAL 12 CO 0.60 0.07 0.19 -0.33 -1.23 0.00 0.00 177.57 176.88 1df3 h GLU 13 N 0.41 0.54 0.00 5.19 5.08 -1.96 -2.88 114.58 120.96 1df3 h GLU 13 Ca 0.22 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1df3 h GLU 13 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1df3 h GLU 13 CO -0.19 0.42 -0.20 0.87 -1.00 0.00 0.00 179.01 178.91 1df3 h LYS 14 N 0.55 0.00 -0.94 2.33 1.57 -1.95 -3.05 116.57 115.08 1df3 h LYS 14 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1df3 h LYS 14 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1df3 h LYS 14 CO -0.02 0.20 0.01 0.44 -0.57 0.00 0.00 179.45 179.51 1df3 n ILE 15 N -3.98 0.48 -3.13 1.86 -5.35 -1.09 -4.40 119.36 103.75 1df3 n ILE 15 Ca -0.02 -0.22 -0.45 0.00 -0.27 0.00 0.00 62.75 61.79 1df3 n ILE 15 Cb 0.28 -0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 37.65 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 -0.07 6.33 0.00 7.28 2.47 -1.16 -4.80 114.94 124.99 1df3 s ASN 16 Ca 0.08 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 51.65 1df3 s ASN 16 Cb 0.06 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1df3 s ASN 16 CO 0.02 -1.02 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 1df3 n GLY 17 N 5.12 -0.70 3.58 1.21 0.00 -1.13 -5.01 105.19 108.25 1df3 n GLY 17 Ca -0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.53 3.74 0.16 1.61 2.02 -1.26 -2.20 118.70 122.24 1df3 s GLU 18 Ca 0.00 0.12 0.11 0.00 0.02 0.00 0.00 54.97 55.22 1df3 s GLU 18 Cb 0.00 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1df3 s GLU 18 CO 0.00 -0.69 -0.25 -1.58 0.02 0.00 0.00 175.26 172.77 1df3 s TRP 19 N 2.67 2.24 0.21 1.61 0.52 -1.07 -4.48 118.94 120.64 1df3 s TRP 19 Ca 0.24 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 56.08 1df3 s TRP 19 Cb -0.15 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 1df3 s TRP 19 CO 0.14 0.40 -0.18 -1.01 0.02 0.00 0.00 176.95 176.32 1df3 s HIS 20 N -1.37 1.92 -0.34 -1.98 3.76 -0.12 -3.61 115.29 113.53 1df3 s HIS 20 Ca 0.16 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.40 1df3 s HIS 20 Cb -0.09 -0.90 -0.00 0.00 1.11 0.00 0.00 32.58 32.70 1df3 s HIS 20 CO 0.07 0.44 0.63 0.99 -0.85 0.00 0.00 174.74 176.02 1df3 s THR 21 N -2.45 4.91 -0.21 1.30 2.01 -1.26 -2.28 115.64 117.67 1df3 s THR 21 Ca 0.21 0.64 -0.16 0.00 0.31 0.00 0.00 61.69 62.69 1df3 s THR 21 Cb -0.04 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 1df3 s THR 21 CO 0.09 -0.27 -0.35 -0.38 -0.69 0.00 0.00 174.62 173.02 1df3 n ILE 22 N 5.53 1.50 -3.96 1.82 -0.00 -0.80 -3.60 119.36 119.85 1df3 n ILE 22 Ca -0.01 -0.02 -0.25 0.00 -0.00 0.00 0.00 62.75 62.46 1df3 n ILE 22 Cb 0.49 -2.19 -0.17 0.00 -0.00 0.00 0.00 39.64 37.77 1df3 n ILE 22 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1df3 s ILE 23 N -2.77 0.82 -0.27 1.39 1.01 -1.02 -1.88 121.20 118.47 1df3 s ILE 23 Ca -0.32 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1df3 s ILE 23 Cb 0.07 -0.87 0.07 0.00 0.01 0.00 0.00 42.46 41.74 1df3 s ILE 23 CO 0.44 0.33 -0.08 -0.22 0.00 0.00 0.00 174.94 175.41 1df3 s LEU 24 N 1.61 3.67 -0.07 2.97 2.96 -1.16 -0.88 118.68 127.77 1df3 s LEU 24 Ca 0.02 -1.51 0.02 0.00 -0.22 0.00 0.00 54.13 52.44 1df3 s LEU 24 Cb -0.13 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1df3 s LEU 24 CO -0.06 -0.22 -0.14 0.00 -1.32 0.00 0.00 176.35 174.62 1df3 s ALA 25 N 1.08 1.37 -0.01 5.97 0.00 -0.95 -4.18 121.76 125.04 1df3 s ALA 25 Ca -0.06 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1df3 s ALA 25 Cb -0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1df3 s ALA 25 CO -0.05 0.13 -0.22 0.45 0.00 0.00 0.00 175.76 176.07 1df3 s SER 26 N 0.64 2.55 0.25 0.00 0.15 -1.26 -1.73 113.70 114.31 1df3 s SER 26 Ca -0.15 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.06 1df3 s SER 26 Cb -0.16 -0.28 0.37 0.00 -1.71 0.00 0.00 66.02 64.24 1df3 s SER 26 CO 0.04 0.26 1.87 -0.78 1.20 0.00 0.00 173.24 175.84 1df3 h ASP 27 N 5.57 0.96 0.02 5.45 1.82 -1.90 -2.53 116.42 125.80 1df3 h ASP 27 Ca -0.40 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.19 1df3 h ASP 27 Cb 1.14 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 1df3 h ASP 27 CO 0.47 0.61 -0.15 0.11 -1.61 0.00 0.00 179.24 178.67 1df3 h LYS 28 N 1.10 0.28 0.00 0.28 1.79 -1.95 -3.49 116.57 114.58 1df3 h LYS 28 Ca 0.41 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1df3 h LYS 28 Cb 0.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1df3 h LYS 28 CO -0.17 0.44 0.00 -2.13 -1.08 0.00 0.00 179.45 176.51 1df3 n ARG 29 N -4.24 0.00 -0.41 3.15 0.63 -0.95 -4.70 116.66 110.13 1df3 n ARG 29 Ca -0.01 0.00 0.38 0.00 -0.92 0.00 0.00 57.85 57.31 1df3 n ARG 29 Cb 0.30 0.00 0.74 0.00 0.45 0.00 0.00 32.46 33.95 1df3 n ARG 29 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1df3 h GLU 30 N 0.00 0.04 -0.62 -0.14 4.11 -1.94 -2.55 114.58 113.49 1df3 h GLU 30 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1df3 h GLU 30 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1df3 h GLU 30 CO 0.00 0.03 0.37 0.87 0.07 0.00 0.00 179.01 180.34 1df3 h LYS 31 N 0.04 0.85 -0.02 1.06 1.79 -1.97 -3.29 116.57 115.03 1df3 h LYS 31 Ca 0.66 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1df3 h LYS 31 Cb 2.54 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 33.01 1df3 h LYS 31 CO -0.06 0.62 -0.06 0.44 -1.08 0.00 0.00 179.45 179.31 1df3 n ILE 32 N -4.59 0.00 -1.05 1.86 -6.64 -0.96 -2.35 119.36 105.63 1df3 n ILE 32 Ca 0.04 -0.30 -0.29 0.00 -1.77 0.00 0.00 62.75 60.43 1df3 n ILE 32 Cb 0.06 0.79 0.21 0.00 -1.44 0.00 0.00 39.64 39.27 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 -2.09 -0.43 -0.12 6.28 2.02 -1.21 -4.67 118.70 118.48 1df3 s GLU 33 Ca 0.33 0.33 -0.41 0.00 0.02 0.00 0.00 54.97 55.23 1df3 s GLU 33 Cb 0.20 -1.65 -0.19 0.00 0.10 0.00 0.00 34.13 32.58 1df3 s GLU 33 CO 0.36 -3.26 1.25 -3.47 0.02 0.00 0.00 175.26 170.16 1df3 n ASP 34 N -4.52 0.55 -3.69 -0.19 -0.08 -1.26 -2.37 116.55 105.00 1df3 n ASP 34 Ca 0.07 1.16 -0.25 0.00 -1.51 0.00 0.00 54.79 54.26 1df3 n ASP 34 Cb 0.58 -0.95 0.06 0.00 2.34 0.00 0.00 41.12 43.15 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 2.36 -5.06 -4.97 1.67 3.02 -1.26 -5.01 115.26 106.01 1df3 n ASN 35 Ca 0.23 -0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 53.93 1df3 n ASN 35 Cb 0.06 -4.62 -0.01 0.00 -0.61 0.00 0.00 39.78 34.60 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 -3.51 1.42 -0.02 7.41 0.00 -1.00 -5.03 107.32 106.60 1df3 s GLY 36 Ca 0.51 -1.36 -0.24 0.00 0.00 0.00 0.00 44.72 43.62 1df3 s GLY 36 CO 0.77 -1.33 1.15 3.45 0.00 0.00 0.00 173.10 177.14 1df3 h ASN 37 N 1.05 -0.13 -0.12 1.64 -1.07 -1.88 -3.15 115.58 111.92 1df3 h ASN 37 Ca -0.49 -0.39 0.00 0.00 0.07 0.00 0.00 56.30 55.50 1df3 h ASN 37 Cb 1.24 0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1df3 h ASN 37 CO 0.57 0.36 0.00 0.49 0.07 0.00 0.00 177.43 178.92 1df3 n PHE 38 N -4.93 0.33 -2.70 4.14 3.01 -0.99 -4.68 117.46 111.64 1df3 n PHE 38 Ca -0.08 -0.13 -0.43 0.00 1.01 0.00 0.00 57.45 57.82 1df3 n PHE 38 Cb 0.26 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.59 1df3 n PHE 38 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1df3 s ARG 39 N -1.50 3.79 -0.31 -1.08 3.52 -1.15 -4.60 118.95 117.63 1df3 s ARG 39 Ca 0.10 -1.75 0.02 0.00 -0.13 0.00 0.00 55.73 53.98 1df3 s ARG 39 Cb 0.07 -5.27 0.09 0.00 -1.56 0.00 0.00 34.95 28.28 1df3 s ARG 39 CO 0.04 -2.06 0.03 -0.51 -0.81 0.00 0.00 175.30 171.99 1df3 s LEU 40 N 3.73 3.77 -0.29 -0.88 1.43 -1.26 -4.25 118.68 120.93 1df3 s LEU 40 Ca 0.45 -1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 51.48 1df3 s LEU 40 Cb -0.00 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1df3 s LEU 40 CO -0.03 -0.35 0.86 -0.36 0.23 0.00 0.00 176.35 176.70 1df3 s PHE 41 N 1.15 3.22 0.08 0.29 0.40 -0.82 -4.80 117.98 117.50 1df3 s PHE 41 Ca 0.06 0.97 -0.30 0.00 -0.60 0.00 0.00 56.93 57.06 1df3 s PHE 41 Cb -0.19 -3.28 -0.05 0.00 0.51 0.00 0.00 43.02 40.01 1df3 s PHE 41 CO -0.11 -0.57 1.07 -1.17 0.70 0.00 0.00 175.22 175.14 1df3 s LEU 42 N 3.08 4.42 -0.14 -0.37 2.96 -1.26 -1.00 118.68 126.37 1df3 s LEU 42 Ca 0.36 1.89 -0.11 0.00 -0.22 0.00 0.00 54.13 56.05 1df3 s LEU 42 Cb -0.14 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1df3 s LEU 42 CO 0.12 -0.28 -0.21 1.21 -1.32 0.00 0.00 176.35 175.88 1df3 n GLU 43 N 3.34 0.44 -3.66 1.98 4.07 -0.04 -4.12 120.64 122.65 1df3 n GLU 43 Ca 0.05 0.43 -0.14 0.00 -0.06 0.00 0.00 57.16 57.45 1df3 n GLU 43 Cb 0.48 -1.57 -0.08 0.00 -0.06 0.00 0.00 31.44 30.21 1df3 n GLU 43 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1df3 s GLN 44 N -2.31 0.73 -0.36 5.31 0.74 -1.07 -2.61 119.66 120.09 1df3 s GLN 44 Ca -0.17 0.62 -0.11 0.00 0.05 0.00 0.00 55.36 55.75 1df3 s GLN 44 Cb 0.02 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.50 1df3 s GLN 44 CO 0.25 -0.13 0.20 0.42 -0.55 0.00 0.00 175.29 175.48 1df3 s ILE 45 N -0.09 4.60 -0.42 -2.34 1.01 -0.93 -1.08 121.20 121.95 1df3 s ILE 45 Ca -0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1df3 s ILE 45 Cb -0.03 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1df3 s ILE 45 CO 0.03 -0.18 0.33 -2.28 0.00 0.00 0.00 174.94 172.84 1df3 s HIS 46 N 1.57 3.23 -0.27 3.97 2.46 -0.75 -2.86 115.29 122.65 1df3 s HIS 46 Ca 0.03 -0.64 -0.23 0.00 0.47 0.00 0.00 55.06 54.68 1df3 s HIS 46 Cb -0.19 -2.74 -0.01 0.00 -0.13 0.00 0.00 32.58 29.52 1df3 s HIS 46 CO 0.07 -0.64 0.77 0.08 -2.47 0.00 0.00 174.74 172.54 1df3 s VAL 47 N 1.72 4.86 -1.15 0.89 1.01 -1.26 -1.49 120.40 124.98 1df3 s VAL 47 Ca 0.05 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 1df3 s VAL 47 Cb -0.20 -4.08 0.25 0.00 0.00 0.00 0.00 36.38 32.36 1df3 s VAL 47 CO 0.10 -0.10 1.49 0.18 0.00 0.00 0.00 175.10 176.77 1df3 n LEU 48 N 5.99 6.15 -2.12 3.92 4.77 -0.45 -4.84 117.00 130.44 1df3 n LEU 48 Ca 0.03 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.05 1df3 n LEU 48 Cb 0.48 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1df3 n LEU 48 CO 0.47 1.44 0.00 -0.62 -1.33 0.00 0.00 177.39 177.35 1df3 n GLU 49 N 2.69 -0.48 0.00 3.23 1.02 -1.26 -2.25 120.64 123.59 1df3 n GLU 49 Ca 0.30 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1df3 n GLU 49 Cb 0.36 0.43 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 1df3 n GLU 49 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1df3 n LYS 50 N -0.51 0.00 -3.13 3.49 4.81 -1.26 -5.09 118.16 116.47 1df3 n LYS 50 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1df3 n LYS 50 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1df3 n LYS 50 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1df3 s SER 51 N -3.07 6.67 -0.20 3.14 0.01 -0.95 -4.72 113.70 114.59 1df3 s SER 51 Ca 0.00 0.82 -0.26 0.00 1.31 0.00 0.00 55.95 57.82 1df3 s SER 51 Cb 0.00 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1df3 s SER 51 CO 0.00 -0.27 0.89 -0.76 0.41 0.00 0.00 173.24 173.51 1df3 s LEU 52 N 1.91 4.13 -0.72 2.44 1.02 -0.80 -1.34 118.68 125.33 1df3 s LEU 52 Ca 0.28 1.20 -0.15 0.00 0.02 0.00 0.00 54.13 55.49 1df3 s LEU 52 Cb -0.16 -3.31 0.19 0.00 0.02 0.00 0.00 46.19 42.93 1df3 s LEU 52 CO 0.10 -0.50 0.67 -0.69 0.02 0.00 0.00 176.35 175.95 1df3 s VAL 53 N 2.58 5.45 -0.65 -1.59 1.01 -0.55 -1.54 120.40 125.11 1df3 s VAL 53 Ca 0.39 -2.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 1df3 s VAL 53 Cb -0.16 -4.41 0.07 0.00 0.00 0.00 0.00 36.38 31.88 1df3 s VAL 53 CO 0.10 -0.97 0.97 -0.76 0.00 0.00 0.00 175.10 174.44 1df3 s LEU 54 N 0.69 4.33 -0.83 3.92 1.02 -0.62 -1.80 118.68 125.39 1df3 s LEU 54 Ca 0.12 -0.94 -0.24 0.00 0.02 0.00 0.00 54.13 53.10 1df3 s LEU 54 Cb -0.18 -2.45 0.05 0.00 0.02 0.00 0.00 46.19 43.64 1df3 s LEU 54 CO -0.04 -1.44 1.26 -0.54 0.02 0.00 0.00 176.35 175.60 1df3 s LYS 55 N 4.10 3.34 0.52 1.70 -0.14 -0.24 -2.22 119.74 126.80 1df3 s LYS 55 Ca 0.23 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 54.12 1df3 s LYS 55 Cb -0.16 -4.62 0.05 0.00 -1.68 0.00 0.00 37.83 31.41 1df3 s LYS 55 CO 0.11 -2.07 0.72 -0.06 -0.76 0.00 0.00 175.35 173.29 1df3 s PHE 56 N 4.87 2.33 -0.16 3.18 0.08 -0.32 -0.86 117.98 127.11 1df3 s PHE 56 Ca 0.36 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 1df3 s PHE 56 Cb -0.07 -2.49 0.08 0.00 -0.57 0.00 0.00 43.02 39.97 1df3 s PHE 56 CO 0.04 -0.85 0.26 -3.38 -0.10 0.00 0.00 175.22 171.19 1df3 s HIS 57 N -2.61 -0.41 0.10 0.36 -3.43 -0.17 -1.87 115.29 107.27 1df3 s HIS 57 Ca 0.58 0.76 -0.28 0.00 -0.80 0.00 0.00 55.06 55.33 1df3 s HIS 57 Cb -0.08 -0.12 -0.06 0.00 -1.43 0.00 0.00 32.58 30.88 1df3 s HIS 57 CO 0.37 -0.45 0.87 -0.08 -2.00 0.00 0.00 174.74 173.45 1df3 s THR 58 N 2.40 4.54 -0.23 -5.38 -1.32 -0.85 -1.94 115.64 112.87 1df3 s THR 58 Ca 0.04 1.87 -0.08 0.00 -1.21 0.00 0.00 61.69 62.31 1df3 s THR 58 Cb -0.13 -4.23 -0.04 0.00 -1.51 0.00 0.00 72.50 66.59 1df3 s THR 58 CO -0.10 0.37 0.09 -0.69 -2.21 0.00 0.00 174.62 172.08 1df3 s VAL 59 N -0.22 4.72 -0.76 5.08 1.01 -1.26 -1.72 120.40 127.25 1df3 s VAL 59 Ca 0.42 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1df3 s VAL 59 Cb -0.22 -3.19 0.20 0.00 0.00 0.00 0.00 36.38 33.17 1df3 s VAL 59 CO 0.27 0.37 0.63 0.54 0.00 0.00 0.00 175.10 176.91 1df3 n ARG 60 N 4.39 2.21 -2.87 2.72 5.12 -1.07 -4.53 116.66 122.64 1df3 n ARG 60 Ca -0.16 -4.52 -0.08 0.00 -1.93 0.00 0.00 57.85 51.16 1df3 n ARG 60 Cb 0.52 -2.32 0.01 0.00 -1.16 0.00 0.00 32.46 29.51 1df3 n ARG 60 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1df3 n ASP 61 N 1.85 -7.79 0.00 0.55 8.00 -1.26 -4.07 116.55 113.84 1df3 n ASP 61 Ca 0.22 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1df3 n ASP 61 Cb 0.36 -5.02 0.00 0.00 -0.02 0.00 0.00 41.12 36.44 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 0.04 0.00 -3.56 -1.24 1.02 -1.26 -4.96 120.64 110.69 1df3 n GLU 62 Ca 0.07 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1df3 n GLU 62 Cb 0.35 -0.12 -0.11 0.00 -0.02 0.00 0.00 31.44 31.54 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 3.64 -0.57 3.49 -6.30 -1.26 -4.76 118.70 112.94 1df3 s GLU 63 Ca 0.00 -0.54 -0.21 0.00 -2.50 0.00 0.00 54.97 51.73 1df3 s GLU 63 Cb 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 34.13 30.46 1df3 s GLU 63 CO 0.00 -0.35 0.77 0.00 0.02 0.00 0.00 175.26 175.70 1df3 s SER 65 N 3.22 6.30 -0.14 0.00 0.01 -0.70 -4.96 113.70 117.42 1df3 s SER 65 Ca 0.18 0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.53 1df3 s SER 65 Cb -0.19 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1df3 s SER 65 CO 0.11 0.05 0.78 -0.70 0.41 0.00 0.00 173.24 173.89 1df3 s GLU 66 N 0.87 4.33 -0.16 12.44 2.12 -1.26 -2.00 118.70 135.04 1df3 s GLU 66 Ca 0.13 0.96 -0.07 0.00 0.36 0.00 0.00 54.97 56.35 1df3 s GLU 66 Cb -0.13 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1df3 s GLU 66 CO 0.04 -0.21 0.08 -1.17 -0.54 0.00 0.00 175.26 173.46 1df3 s LEU 67 N 1.75 3.97 -0.28 2.70 2.96 -0.78 -4.98 118.68 124.01 1df3 s LEU 67 Ca 0.38 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1df3 s LEU 67 Cb -0.17 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1df3 s LEU 67 CO 0.14 0.25 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.84 1df3 s SER 68 N -0.07 4.71 -0.49 3.68 0.15 -1.26 -1.17 113.70 119.25 1df3 s SER 68 Ca 0.08 -1.18 -0.14 0.00 0.70 0.00 0.00 55.95 55.40 1df3 s SER 68 Cb -0.12 -1.69 0.10 0.00 -1.71 0.00 0.00 66.02 62.60 1df3 s SER 68 CO 0.01 -0.22 0.40 -0.04 1.20 0.00 0.00 173.24 174.59 1df3 s MET 69 N 1.26 2.87 -0.52 5.44 -1.94 -0.94 -4.93 119.30 120.53 1df3 s MET 69 Ca -0.04 -1.53 -0.21 0.00 -1.71 0.00 0.00 55.69 52.19 1df3 s MET 69 Cb -0.19 -4.11 0.05 0.00 2.01 0.00 0.00 34.83 32.59 1df3 s MET 69 CO -0.02 -1.13 0.75 0.08 -0.01 0.00 0.00 175.02 174.68 1df3 s VAL 70 N 1.56 4.69 -0.28 -6.03 1.01 -1.26 -1.59 120.40 118.51 1df3 s VAL 70 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1df3 s VAL 70 Cb -0.26 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.77 1df3 s VAL 70 CO 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 175.10 174.22 1df3 s ALA 71 N 3.14 2.81 -0.01 5.51 0.00 -0.59 -4.67 121.76 127.95 1df3 s ALA 71 Ca 0.21 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 1df3 s ALA 71 Cb -0.16 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1df3 s ALA 71 CO 0.15 -1.01 0.32 0.16 0.00 0.00 0.00 175.76 175.38 1df3 s ASP 72 N 1.33 6.62 0.22 0.00 1.47 -1.23 -1.90 116.67 123.19 1df3 s ASP 72 Ca -0.01 0.74 -0.30 0.00 1.18 0.00 0.00 52.55 54.15 1df3 s ASP 72 Cb -0.18 -2.16 -0.10 0.00 -0.34 0.00 0.00 42.92 40.14 1df3 s ASP 72 CO -0.02 0.30 1.40 -0.54 0.68 0.00 0.00 175.17 176.99 1df3 s LYS 73 N -1.36 4.31 0.00 2.11 1.02 -1.26 -2.29 119.74 122.26 1df3 s LYS 73 Ca 0.24 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1df3 s LYS 73 Cb -0.14 -3.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1df3 s LYS 73 CO 0.13 -0.37 0.00 0.25 -0.92 0.00 0.00 175.35 174.43 1df3 n THR 74 N 2.55 0.00 -0.01 2.17 -2.24 -1.26 -4.90 114.28 110.59 1df3 n THR 74 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1df3 n THR 74 Cb 0.41 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 1df3 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1df3 h GLU 75 N 0.00 0.16 -6.85 -0.78 3.07 -1.97 -3.47 114.58 104.74 1df3 h GLU 75 Ca 0.00 -0.28 -0.49 0.00 -0.50 0.00 0.00 59.36 58.09 1df3 h GLU 75 Cb 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1df3 h GLU 75 CO 0.00 1.13 0.13 0.15 -1.40 0.00 0.00 179.01 179.02 1df3 s LYS 76 N -2.34 3.82 -1.39 2.33 -0.14 -1.26 -5.01 119.74 115.75 1df3 s LYS 76 Ca -0.16 0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 54.83 1df3 s LYS 76 Cb -0.01 -2.38 0.07 0.00 -1.68 0.00 0.00 37.83 33.83 1df3 s LYS 76 CO 0.76 -0.02 2.03 0.00 -0.76 0.00 0.00 175.35 177.36 1df3 n ALA 77 N -1.17 4.93 0.00 5.17 0.00 -1.06 -3.99 120.51 124.38 1df3 n ALA 77 Ca 0.03 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1df3 n ALA 77 Cb 0.54 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 4.30 1.33 2.05 0.00 0.00 -1.26 -2.85 105.19 108.76 1df3 n GLY 78 Ca 0.49 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.22 1.61 4.07 -1.26 -4.15 120.64 118.70 1df3 n GLU 79 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1df3 n GLU 79 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1df3 n GLU 79 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1df3 n TYR 80 N -2.74 -2.13 -3.38 4.31 4.01 -1.24 -1.65 117.16 114.34 1df3 n TYR 80 Ca 0.00 0.91 -0.38 0.00 -0.16 0.00 0.00 57.90 58.27 1df3 n TYR 80 Cb 0.00 -2.94 -0.07 0.00 -0.31 0.00 0.00 39.34 36.02 1df3 n TYR 80 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1df3 s SER 81 N -1.34 6.49 -0.15 7.72 1.04 -0.97 -2.66 113.70 123.82 1df3 s SER 81 Ca 0.06 0.58 -0.07 0.00 0.48 0.00 0.00 55.95 56.99 1df3 s SER 81 Cb -0.02 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.92 1df3 s SER 81 CO 0.44 -0.06 0.34 0.54 0.98 0.00 0.00 173.24 175.48 1df3 s VAL 82 N 1.14 -0.11 -0.55 5.02 0.11 -0.93 -3.47 120.40 121.60 1df3 s VAL 82 Ca 0.20 0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 59.15 1df3 s VAL 82 Cb -0.15 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1df3 s VAL 82 CO 0.08 0.06 0.92 0.42 -3.33 0.00 0.00 175.10 173.25 1df3 s THR 83 N 1.54 4.41 -0.26 5.04 -4.23 -1.26 -1.41 115.64 119.48 1df3 s THR 83 Ca -0.08 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1df3 s THR 83 Cb -0.10 -4.53 0.08 0.00 1.34 0.00 0.00 72.50 69.30 1df3 s THR 83 CO -0.11 -1.11 0.08 -0.47 -0.54 0.00 0.00 174.62 172.47 1df3 s TYR 84 N 3.88 1.05 -1.20 3.99 5.04 -1.26 -4.91 117.35 123.94 1df3 s TYR 84 Ca 0.29 -1.14 -0.04 0.00 -2.44 0.00 0.00 57.07 53.74 1df3 s TYR 84 Cb -0.13 -1.22 -0.02 0.00 0.35 0.00 0.00 41.96 40.94 1df3 s TYR 84 CO 0.18 -0.75 0.85 -0.25 -1.34 0.00 0.00 175.55 174.24 1df3 n ASP 85 N 5.04 -3.19 0.00 4.32 8.00 -1.26 -4.77 116.55 124.69 1df3 n ASP 85 Ca -0.06 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1df3 n ASP 85 Cb 0.44 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 1df3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1df3 n GLY 86 N -1.37 1.80 3.62 0.44 0.00 -1.26 -4.71 105.19 103.70 1df3 n GLY 86 Ca -0.22 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 1df3 n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1df3 s PHE 87 N -2.44 2.76 -0.57 1.61 0.08 -0.83 -4.46 117.98 114.13 1df3 s PHE 87 Ca 0.00 0.88 -0.23 0.00 0.12 0.00 0.00 56.93 57.70 1df3 s PHE 87 Cb 0.00 -4.02 0.05 0.00 -0.57 0.00 0.00 43.02 38.48 1df3 s PHE 87 CO 0.00 -1.48 0.91 -0.80 -0.10 0.00 0.00 175.22 173.75 1df3 s ASN 88 N 2.67 6.29 -0.65 1.36 0.02 -0.50 -1.90 114.94 122.22 1df3 s ASN 88 Ca 0.53 -0.55 -0.09 0.00 -1.02 0.00 0.00 52.86 51.74 1df3 s ASN 88 Cb -0.14 -2.42 0.17 0.00 0.02 0.00 0.00 41.25 38.89 1df3 s ASN 88 CO 0.24 -1.23 0.52 0.42 0.02 0.00 0.00 177.10 177.08 1df3 s THR 89 N 3.82 4.52 -0.33 1.60 -4.23 -0.61 -2.19 115.64 118.22 1df3 s THR 89 Ca 0.27 -2.43 -0.13 0.00 -1.18 0.00 0.00 61.69 58.22 1df3 s THR 89 Cb -0.14 -3.89 -0.02 0.00 1.34 0.00 0.00 72.50 69.78 1df3 s THR 89 CO 0.16 -0.90 0.25 0.72 -0.54 0.00 0.00 174.62 174.32 1df3 s PHE 90 N 0.45 3.23 0.12 3.99 -0.12 -0.66 -2.20 117.98 122.79 1df3 s PHE 90 Ca 0.14 -0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 56.81 1df3 s PHE 90 Cb -0.19 -2.49 -0.06 0.00 -0.63 0.00 0.00 43.02 39.65 1df3 s PHE 90 CO -0.04 -0.33 0.44 0.95 -0.05 0.00 0.00 175.22 176.19 1df3 s THR 91 N 1.78 5.04 -0.66 -4.49 -4.23 -1.09 -4.18 115.64 107.82 1df3 s THR 91 Ca 0.07 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1df3 s THR 91 Cb -0.17 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.19 1df3 s THR 91 CO 0.11 0.21 0.51 -0.63 -0.54 0.00 0.00 174.62 174.28 1df3 s ILE 92 N -1.49 4.21 0.18 2.99 1.01 -1.25 -1.51 121.20 125.34 1df3 s ILE 92 Ca 0.37 -2.75 -0.07 0.00 0.00 0.00 0.00 60.65 58.20 1df3 s ILE 92 Cb -0.14 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1df3 s ILE 92 CO 0.19 -0.91 1.57 1.55 0.00 0.00 0.00 174.94 177.35 1df3 h PRO 93 N 7.32 0.85 -2.78 2.79 0.13 -1.78 -1.43 132.00 137.11 1df3 h PRO 93 Ca 0.00 -0.38 -0.60 0.00 -0.87 0.00 0.00 66.00 64.15 1df3 h PRO 93 Cb 0.98 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.70 1df3 h PRO 93 CO 0.73 1.02 -0.79 0.21 -0.23 0.00 0.00 178.00 178.94 1df3 s LYS 94 N -4.53 1.14 -0.16 0.86 2.47 -1.24 -3.61 119.74 114.67 1df3 s LYS 94 Ca -0.10 -1.99 0.01 0.00 -1.56 0.00 0.00 55.97 52.34 1df3 s LYS 94 Cb 0.12 -2.01 0.02 0.00 -1.46 0.00 0.00 37.83 34.50 1df3 s LYS 94 CO 0.85 -1.23 -0.19 -0.08 0.16 0.00 0.00 175.35 174.87 1df3 s THR 95 N 0.30 1.91 -1.24 3.43 -1.32 -1.15 -2.04 115.64 115.53 1df3 s THR 95 Ca 0.21 -0.85 0.13 0.00 -1.21 0.00 0.00 61.69 59.97 1df3 s THR 95 Cb -0.17 -1.73 0.53 0.00 -1.51 0.00 0.00 72.50 69.62 1df3 s THR 95 CO -0.05 0.52 1.40 -0.67 -2.21 0.00 0.00 174.62 173.61 1df3 n ASP 96 N 4.56 3.64 0.00 8.08 4.64 -0.13 -1.63 116.55 135.72 1df3 n ASP 96 Ca -0.20 -2.33 0.00 0.00 -1.38 0.00 0.00 54.79 50.88 1df3 n ASP 96 Cb 0.50 -0.50 0.00 0.00 -1.04 0.00 0.00 41.12 40.09 1df3 n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1df3 n TYR 97 N 0.76 0.00 -2.48 -0.67 4.01 -1.24 -4.01 117.16 113.54 1df3 n TYR 97 Ca 0.19 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.66 1df3 n TYR 97 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.72 1df3 n TYR 97 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1df3 n ASP 98 N 4.47 4.80 0.00 7.72 -0.08 -1.26 -4.28 116.55 127.92 1df3 n ASP 98 Ca 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.56 1df3 n ASP 98 Cb 0.00 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 42.98 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 -0.47 0.00 -4.29 1.67 4.13 -1.26 -4.91 115.26 110.13 1df3 n ASN 99 Ca 0.39 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.50 1df3 n ASN 99 Cb 0.64 0.18 -0.10 0.00 -1.54 0.00 0.00 39.78 38.96 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 -0.53 1.42 -0.28 3.10 -0.12 -1.26 -2.14 117.98 118.16 1df3 s PHE 100 Ca 0.00 -0.99 -0.02 0.00 -0.05 0.00 0.00 56.93 55.87 1df3 s PHE 100 Cb 0.00 -0.82 0.17 0.00 -0.63 0.00 0.00 43.02 41.74 1df3 s PHE 100 CO 0.00 -0.14 0.53 -1.17 -0.05 0.00 0.00 175.22 174.38 1df3 s LEU 101 N -3.25 -1.13 -0.36 -1.99 0.20 -0.44 -0.96 118.68 110.73 1df3 s LEU 101 Ca 0.28 0.66 -0.13 0.00 0.69 0.00 0.00 54.13 55.63 1df3 s LEU 101 Cb 0.06 1.82 0.00 0.00 -0.43 0.00 0.00 46.19 47.64 1df3 s LEU 101 CO 0.07 -0.27 0.24 -0.04 -0.29 0.00 0.00 176.35 176.06 1df3 s MET 102 N 2.75 3.20 -0.28 1.98 -1.94 -0.87 -1.42 119.30 122.73 1df3 s MET 102 Ca 0.18 -0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 53.26 1df3 s MET 102 Cb -0.15 -3.82 0.00 0.00 2.01 0.00 0.00 34.83 32.87 1df3 s MET 102 CO -0.19 -0.58 0.06 0.00 -0.01 0.00 0.00 175.02 174.30 1df3 s ALA 103 N 1.67 3.05 -0.80 3.03 0.00 -0.85 -3.14 121.76 124.71 1df3 s ALA 103 Ca 0.05 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.41 1df3 s ALA 103 Cb -0.18 -2.08 0.07 0.00 0.00 0.00 0.00 23.12 20.93 1df3 s ALA 103 CO 0.09 -0.80 1.16 -1.58 0.00 0.00 0.00 175.76 174.63 1df3 s HIS 104 N 1.51 2.64 -0.31 0.00 5.65 -0.57 -1.96 115.29 122.26 1df3 s HIS 104 Ca 0.03 -0.66 -0.21 0.00 0.25 0.00 0.00 55.06 54.48 1df3 s HIS 104 Cb -0.17 -4.45 -0.01 0.00 -1.18 0.00 0.00 32.58 26.78 1df3 s HIS 104 CO 0.02 -1.77 0.65 -1.17 -0.65 0.00 0.00 174.74 171.81 1df3 s LEU 105 N 4.35 4.15 -0.60 8.88 0.20 -0.47 -2.66 118.68 132.53 1df3 s LEU 105 Ca 0.32 0.43 -0.15 0.00 0.69 0.00 0.00 54.13 55.43 1df3 s LEU 105 Cb -0.09 -2.84 0.15 0.00 -0.43 0.00 0.00 46.19 42.98 1df3 s LEU 105 CO 0.04 -0.50 0.54 -0.63 -0.29 0.00 0.00 176.35 175.51 1df3 s ILE 106 N 2.66 5.17 0.18 6.68 1.01 -0.93 -1.24 121.20 134.72 1df3 s ILE 106 Ca 0.26 -1.79 -0.30 0.00 0.00 0.00 0.00 60.65 58.82 1df3 s ILE 106 Cb -0.15 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 1df3 s ILE 106 CO 0.12 -0.90 1.00 0.21 0.00 0.00 0.00 174.94 175.37 1df3 s ASN 107 N 3.11 7.47 -0.28 3.58 3.84 -0.62 -1.57 114.94 130.46 1df3 s ASN 107 Ca 0.07 1.95 -0.02 0.00 0.21 0.00 0.00 52.86 55.08 1df3 s ASN 107 Cb -0.25 -2.60 0.09 0.00 -0.55 0.00 0.00 41.25 37.94 1df3 s ASN 107 CO -0.00 -0.04 0.09 -1.61 -2.79 0.00 0.00 177.10 172.75 1df3 s GLU 108 N -0.58 0.61 0.18 0.43 2.02 -0.80 -2.28 118.70 118.28 1df3 s GLU 108 Ca 0.45 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1df3 s GLU 108 Cb -0.26 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1df3 s GLU 108 CO 0.33 -0.92 0.21 1.17 0.02 0.00 0.00 175.26 176.07 1df3 n LYS 109 N 4.96 1.01 -2.44 1.61 0.00 -0.80 -1.96 118.16 120.53 1df3 n LYS 109 Ca -0.04 -1.04 -0.38 0.00 0.00 0.00 0.00 58.31 56.84 1df3 n LYS 109 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.43 1df3 n LYS 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1df3 s ASP 110 N -2.11 6.27 -0.78 3.14 1.01 -1.26 -4.02 116.67 118.92 1df3 s ASP 110 Ca 0.16 -1.74 0.00 0.00 0.71 0.00 0.00 52.55 51.68 1df3 s ASP 110 Cb -0.01 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1df3 s ASP 110 CO 0.10 -1.74 0.00 0.61 0.21 0.00 0.00 175.17 174.35 1df3 n GLY 111 N 6.21 -0.00 2.48 0.21 0.00 -1.26 -5.03 105.19 107.80 1df3 n GLY 111 Ca 0.41 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.45 0.72 -0.23 1.61 2.12 -1.26 -5.12 118.70 112.10 1df3 s GLU 112 Ca 0.00 -1.57 -0.06 0.00 0.36 0.00 0.00 54.97 53.70 1df3 s GLU 112 Cb 0.00 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 1df3 s GLU 112 CO 0.00 -1.24 0.04 0.99 -0.54 0.00 0.00 175.26 174.51 1df3 s THR 113 N 0.78 4.17 -0.06 -1.70 2.01 -1.26 -1.91 115.64 117.67 1df3 s THR 113 Ca 0.21 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1df3 s THR 113 Cb -0.18 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.43 1df3 s THR 113 CO -0.03 0.38 0.22 0.72 -0.69 0.00 0.00 174.62 175.22 1df3 s PHE 114 N 1.30 -0.18 -0.28 4.92 -0.12 -0.96 -5.01 117.98 117.66 1df3 s PHE 114 Ca 0.04 0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 57.23 1df3 s PHE 114 Cb -0.15 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1df3 s PHE 114 CO 0.02 -0.20 0.12 1.14 -0.05 0.00 0.00 175.22 176.26 1df3 s GLN 115 N -0.42 3.61 -0.27 1.99 1.03 -1.26 -1.59 119.66 122.74 1df3 s GLN 115 Ca -0.05 -0.53 -0.05 0.00 0.04 0.00 0.00 55.36 54.77 1df3 s GLN 115 Cb -0.03 -3.48 0.01 0.00 0.03 0.00 0.00 33.01 29.53 1df3 s GLN 115 CO 0.01 -0.27 0.03 -1.17 -2.54 0.00 0.00 175.29 171.35 1df3 s LEU 116 N 1.64 3.53 -0.09 2.60 0.20 -0.37 -3.01 118.68 123.19 1df3 s LEU 116 Ca 0.06 -0.67 -0.15 0.00 0.69 0.00 0.00 54.13 54.06 1df3 s LEU 116 Cb -0.16 -1.81 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 1df3 s LEU 116 CO 0.06 -0.14 0.37 -0.04 -0.29 0.00 0.00 176.35 176.31 1df3 s MET 117 N 1.46 4.11 -0.20 1.98 -1.94 -0.70 -1.36 119.30 122.65 1df3 s MET 117 Ca 0.03 0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1df3 s MET 117 Cb -0.16 -3.34 0.05 0.00 2.01 0.00 0.00 34.83 33.39 1df3 s MET 117 CO 0.00 0.41 -0.04 0.20 -0.01 0.00 0.00 175.02 175.58 1df3 s GLY 118 N -0.14 1.07 -0.36 -0.03 0.00 -0.83 -2.24 107.32 104.79 1df3 s GLY 118 Ca 0.21 -1.04 -0.28 0.00 0.00 0.00 0.00 44.72 43.62 1df3 s GLY 118 CO 0.09 0.98 1.05 -2.27 0.00 0.00 0.00 173.10 172.95 1df3 s LEU 119 N 1.56 3.89 0.23 0.66 2.96 -0.06 -2.02 118.68 125.90 1df3 s LEU 119 Ca -0.02 0.83 0.11 0.00 -0.22 0.00 0.00 54.13 54.83 1df3 s LEU 119 Cb -0.17 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1df3 s LEU 119 CO -0.07 -0.94 -0.17 -0.31 -1.32 0.00 0.00 176.35 173.54 1df3 s TYR 120 N 3.75 2.41 -0.17 5.38 2.02 -0.51 -1.91 117.35 128.34 1df3 s TYR 120 Ca 0.44 -0.30 -0.28 0.00 -0.37 0.00 0.00 57.07 56.56 1df3 s TYR 120 Cb -0.11 -1.13 0.07 0.00 -0.40 0.00 0.00 41.96 40.40 1df3 s TYR 120 CO 0.19 0.59 0.72 0.20 -1.57 0.00 0.00 175.55 175.68 1df3 s GLY 121 N -3.11 -0.54 0.29 0.71 0.00 -0.96 -1.33 107.32 102.37 1df3 s GLY 121 Ca 0.26 1.72 0.01 0.00 0.00 0.00 0.00 44.72 46.71 1df3 s GLY 121 CO 0.14 1.37 1.79 3.21 0.00 0.00 0.00 173.10 179.61 1df3 h ARG 122 N 3.99 0.65 -7.12 2.90 2.47 -1.65 -0.30 114.38 115.31 1df3 h ARG 122 Ca -0.28 -0.17 -0.51 0.00 -1.26 0.00 0.00 59.98 57.77 1df3 h ARG 122 Cb 1.15 -0.08 0.08 0.00 -1.65 0.00 0.00 29.97 29.48 1df3 h ARG 122 CO 0.22 0.70 0.42 -1.21 0.56 0.00 0.00 179.97 180.65 1df3 s GLU 123 N -4.91 3.15 0.47 0.04 2.02 -1.26 -4.75 118.70 113.47 1df3 s GLU 123 Ca -0.08 1.55 0.24 0.00 0.02 0.00 0.00 54.97 56.70 1df3 s GLU 123 Cb 0.15 -1.98 1.27 0.00 0.10 0.00 0.00 34.13 33.67 1df3 s GLU 123 CO 0.79 -1.00 1.87 -1.35 0.02 0.00 0.00 175.26 175.59 1df3 h PRO 124 N 0.80 0.20 -3.30 0.39 0.11 -1.98 -3.42 132.00 124.80 1df3 h PRO 124 Ca -0.49 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 1df3 h PRO 124 Cb 1.26 -0.05 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1df3 h PRO 124 CO 0.56 0.14 -0.57 0.16 -0.21 0.00 0.00 178.00 178.07 1df3 s ASP 125 N -5.63 -0.14 0.74 -2.05 -4.77 -1.26 -4.77 116.67 98.79 1df3 s ASP 125 Ca -0.07 0.31 -0.09 0.00 -3.30 0.00 0.00 52.55 49.40 1df3 s ASP 125 Cb 0.22 0.25 0.07 0.00 -1.09 0.00 0.00 42.92 42.37 1df3 s ASP 125 CO 0.78 -0.10 1.08 -0.76 0.70 0.00 0.00 175.17 176.86 1df3 s LEU 126 N 0.67 2.70 0.45 2.11 1.43 -1.26 -5.07 118.68 119.71 1df3 s LEU 126 Ca -0.05 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.39 1df3 s LEU 126 Cb -0.07 -3.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 1df3 s LEU 126 CO -0.03 -1.72 1.15 -0.55 0.23 0.00 0.00 176.35 175.42 1df3 s SER 127 N -4.54 6.25 0.44 2.29 0.15 -1.26 -4.93 113.70 112.09 1df3 s SER 127 Ca 0.61 2.26 0.11 0.00 0.70 0.00 0.00 55.95 59.63 1df3 s SER 127 Cb -0.11 -2.60 0.98 0.00 -1.71 0.00 0.00 66.02 62.59 1df3 s SER 127 CO 0.46 -0.86 2.04 0.28 1.20 0.00 0.00 173.24 176.37 1df3 h SER 128 N 2.08 0.36 -0.54 5.45 0.02 -1.99 -2.57 113.55 116.37 1df3 h SER 128 Ca -0.49 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1df3 h SER 128 Cb 1.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1df3 h SER 128 CO 0.60 0.25 0.21 0.44 -1.14 0.00 0.00 176.83 177.19 1df3 h ASP 129 N 0.42 0.75 -0.22 3.07 5.19 -1.99 -1.42 116.42 122.22 1df3 h ASP 129 Ca 0.17 -0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1df3 h ASP 129 Cb 0.17 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1df3 h ASP 129 CO -0.04 0.72 0.11 0.40 -3.12 0.00 0.00 179.24 177.31 1df3 h ILE 130 N 0.73 0.99 -0.96 0.35 2.04 -1.87 -2.27 117.51 116.53 1df3 h ILE 130 Ca 0.18 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1df3 h ILE 130 Cb 0.21 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1df3 h ILE 130 CO -0.01 0.04 0.60 0.11 0.00 0.00 0.00 178.15 178.89 1df3 h LYS 131 N 0.23 1.00 -0.72 2.37 1.57 -1.48 -2.44 116.57 117.08 1df3 h LYS 131 Ca 0.09 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1df3 h LYS 131 Cb 0.03 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 1df3 h LYS 131 CO -0.07 0.66 0.40 0.93 -0.57 0.00 0.00 179.45 180.80 1df3 h GLU 132 N 1.03 0.69 -0.42 3.15 5.08 -1.14 -1.39 114.58 121.58 1df3 h GLU 132 Ca 0.45 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1df3 h GLU 132 Cb 0.32 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1df3 h GLU 132 CO -0.22 0.46 0.02 0.00 -1.00 0.00 0.00 179.01 178.26 1df3 h ARG 133 N 0.71 0.12 -0.78 2.33 2.47 -1.04 -2.64 114.38 115.56 1df3 h ARG 133 Ca 0.33 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.02 1df3 h ARG 133 Cb 0.26 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 1df3 h ARG 133 CO -0.21 0.08 0.37 0.35 0.56 0.00 0.00 179.97 181.12 1df3 h PHE 134 N 0.13 1.13 -0.24 3.04 3.57 -1.24 -2.35 116.94 120.97 1df3 h PHE 134 Ca 0.21 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1df3 h PHE 134 Cb 0.29 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1df3 h PHE 134 CO -0.26 0.83 -0.03 0.00 -2.23 0.00 0.00 178.31 176.61 1df3 h ALA 135 N 1.19 0.33 -0.62 2.41 0.00 -1.19 0.03 119.26 121.41 1df3 h ALA 135 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1df3 h ALA 135 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1df3 h ALA 135 CO -0.03 0.10 0.26 -0.56 0.00 0.00 0.00 179.25 179.02 1df3 h GLN 136 N 0.20 0.90 -0.56 0.00 -0.00 -1.55 -2.72 115.11 111.38 1df3 h GLN 136 Ca 0.06 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.54 1df3 h GLN 136 Cb 0.47 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.48 27.77 1df3 h GLN 136 CO 0.02 0.72 0.20 1.25 -0.00 0.00 0.00 178.83 181.02 1df3 h LEU 137 N 0.89 0.76 -0.11 0.06 5.85 -1.42 -2.45 115.31 118.89 1df3 h LEU 137 Ca 0.21 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1df3 h LEU 137 Cb 0.15 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1df3 h LEU 137 CO -0.02 0.70 -0.13 0.00 -0.34 0.00 0.00 178.44 178.64 1df3 h GLU 139 N -0.17 0.81 -0.33 0.00 4.81 -1.49 -0.54 114.58 117.67 1df3 h GLU 139 Ca 0.08 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1df3 h GLU 139 Cb 0.29 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1df3 h GLU 139 CO -0.21 0.59 0.21 1.49 -0.73 0.00 0.00 179.01 180.37 1df3 h GLU 140 N 0.82 0.42 0.00 1.92 4.57 -1.33 -3.24 114.58 117.74 1df3 h GLU 140 Ca 0.21 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1df3 h GLU 140 Cb 0.02 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1df3 h GLU 140 CO -0.04 0.28 -0.14 0.45 -1.18 0.00 0.00 179.01 178.39 1df3 h HIS 141 N 0.43 0.00 0.00 0.92 3.86 -1.17 -3.48 115.15 115.71 1df3 h HIS 141 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1df3 h HIS 141 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1df3 h HIS 141 CO -0.06 0.14 0.00 0.41 0.86 0.00 0.00 177.93 179.28 1df3 n GLY 142 N 0.38 1.59 3.23 2.45 0.00 -0.63 -5.10 105.19 107.11 1df3 n GLY 142 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 2.97 0.69 -0.61 1.01 -0.31 -4.95 121.20 118.00 1df3 s ILE 143 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1df3 s ILE 143 Cb 0.00 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1df3 s ILE 143 CO 0.00 0.34 1.18 -0.76 0.00 0.00 0.00 174.94 175.70 1df3 s LEU 144 N 1.38 3.39 -0.91 2.97 1.43 -1.26 -3.62 118.68 122.06 1df3 s LEU 144 Ca 0.03 2.27 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1df3 s LEU 144 Cb -0.15 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.36 1df3 s LEU 144 CO -0.05 -2.00 3.16 0.54 0.23 0.00 0.00 176.35 178.23 1df3 n ARG 145 N -2.46 3.05 0.00 1.70 1.74 -1.26 -3.69 116.66 115.75 1df3 n ARG 145 Ca 0.13 -1.86 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1df3 n ARG 145 Cb 0.51 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 1df3 n ARG 145 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1df3 n GLU 146 N 2.84 0.00 0.21 5.56 -0.58 -1.26 -4.84 120.64 122.57 1df3 n GLU 146 Ca 0.62 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 57.51 1df3 n GLU 146 Cb 0.51 -0.48 0.60 0.00 -0.57 0.00 0.00 31.44 31.50 1df3 n GLU 146 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1df3 h ASN 147 N 0.00 0.00 -2.83 1.62 7.08 -1.91 -3.46 115.58 116.09 1df3 h ASN 147 Ca 0.00 0.00 -0.55 0.00 -3.08 0.00 0.00 56.30 52.67 1df3 h ASN 147 Cb 0.38 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.56 1df3 h ASN 147 CO 0.00 0.00 1.14 -0.63 -2.08 0.00 0.00 177.43 175.86 1df3 s ILE 148 N -3.51 3.73 -0.21 6.14 1.01 -1.26 -4.64 121.20 122.47 1df3 s ILE 148 Ca 0.03 0.66 -0.13 0.00 0.00 0.00 0.00 60.65 61.21 1df3 s ILE 148 Cb 0.09 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1df3 s ILE 148 CO 0.48 -0.95 0.28 -0.63 0.00 0.00 0.00 174.94 174.11 1df3 s ILE 149 N 6.32 5.29 -0.80 2.92 1.01 -1.26 -5.05 121.20 129.63 1df3 s ILE 149 Ca 0.59 0.45 -0.19 0.00 0.00 0.00 0.00 60.65 61.51 1df3 s ILE 149 Cb -0.13 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.85 1df3 s ILE 149 CO 0.27 0.31 0.97 -1.81 0.00 0.00 0.00 174.94 174.68 1df3 s ASP 150 N 0.96 6.48 0.50 3.58 1.11 -1.26 -2.98 116.67 125.06 1df3 s ASP 150 Ca 0.14 -1.83 0.29 0.00 0.18 0.00 0.00 52.55 51.32 1df3 s ASP 150 Cb -0.14 -2.36 1.14 0.00 1.07 0.00 0.00 42.92 42.63 1df3 s ASP 150 CO 0.06 -1.07 1.91 -0.07 1.18 0.00 0.00 175.17 177.17 1df3 h LEU 151 N 10.12 0.00 -7.79 1.23 -0.00 -1.67 -3.39 115.31 113.81 1df3 h LEU 151 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.34 1df3 h LEU 151 Cb 1.05 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.65 1df3 h LEU 151 CO 1.07 0.11 1.75 -1.54 -0.00 0.00 0.00 178.44 179.83 1df3 n SER 152 N -3.26 4.00 0.00 -0.43 3.41 -0.92 -2.00 113.62 114.41 1df3 n SER 152 Ca 0.00 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1df3 n SER 152 Cb 0.37 -1.72 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 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 10.93 0.00 0.00 4.04 5.15 -1.26 -4.97 115.26 129.15 1df3 n ASN 153 Ca 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1df3 n ASN 153 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.00 0.00 -3.09 5.20 0.00 -0.85 -4.95 120.51 116.82 1df3 n ALA 154 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1df3 n ALA 154 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1df3 n ALA 154 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1df3 s ASN 155 N -1.25 -0.43 -1.10 0.00 3.84 -1.26 -5.02 114.94 109.73 1df3 s ASN 155 Ca 0.00 -1.75 -0.16 0.00 0.21 0.00 0.00 52.86 51.17 1df3 s ASN 155 Cb 0.00 1.23 0.16 0.00 -0.55 0.00 0.00 41.25 42.08 1df3 s ASN 155 CO 0.00 -0.14 1.31 -0.60 -2.79 0.00 0.00 177.10 174.88 1df3 s ARG 156 N 1.04 3.91 -1.05 0.43 3.00 -1.26 -4.57 118.95 120.45 1df3 s ARG 156 Ca 0.25 -2.29 -0.18 0.00 -1.00 0.00 0.00 55.73 52.51 1df3 s ARG 156 Cb -0.03 -4.99 0.01 0.00 0.00 0.00 0.00 34.95 29.93 1df3 s ARG 156 CO -0.07 -1.76 0.72 0.00 0.00 0.00 0.00 175.30 174.19 1df3 s LEU 158 N -6.14 2.36 -0.66 0.00 1.43 -1.26 -5.07 118.68 109.34 1df3 s LEU 158 Ca 0.33 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 1df3 s LEU 158 Cb -0.14 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1df3 s LEU 158 CO 0.89 0.16 1.50 0.00 0.23 0.00 0.00 176.35 179.13 1df3 s GLN 159 N -2.23 3.03 -0.05 1.70 -2.07 -1.26 -4.33 119.66 114.45 1df3 s GLN 159 Ca 0.16 0.19 -0.28 0.00 -1.82 0.00 0.00 55.36 53.60 1df3 s GLN 159 Cb -0.09 -4.24 -0.02 0.00 -1.09 0.00 0.00 33.01 27.56 1df3 s GLN 159 CO 0.07 -2.30 0.93 0.00 -1.32 0.00 0.00 175.29 172.68 1df3 s ALA 160 N 6.90 3.28 -0.47 2.60 0.00 -1.26 -5.02 121.76 127.79 1df3 s ALA 160 Ca 0.49 0.39 -0.27 0.00 0.00 0.00 0.00 51.96 52.57 1df3 s ALA 160 Cb -0.10 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1df3 s ALA 160 CO 0.19 -0.35 1.04 0.50 0.00 0.00 0.00 175.76 177.14 1df3 s ARG 161 N 1.35 3.63 0.00 0.00 3.52 -1.26 -4.75 118.95 121.43 1df3 s ARG 161 Ca 0.48 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1df3 s ARG 161 Cb -0.19 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 1df3 s ARG 161 CO 0.22 -1.31 0.00 0.39 -0.81 0.00 0.00 175.30 173.80