#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 3.35 -0.02 5.31 2.02 -1.25 -4.13 118.70 123.98 1df3 s GLU 2 Ca 0.00 1.19 0.04 0.00 0.02 0.00 0.00 54.97 56.22 1df3 s GLU 2 Cb 0.00 -4.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.06 1df3 s GLU 2 CO 0.00 -1.84 -0.15 0.00 0.02 0.00 0.00 175.26 173.29 1df3 s ALA 3 N 6.61 1.25 0.00 5.21 0.00 -0.57 -4.94 121.76 129.32 1df3 s ALA 3 Ca 0.72 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 1df3 s ALA 3 Cb -0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.52 1df3 s ALA 3 CO 0.32 0.28 0.43 -1.12 0.00 0.00 0.00 175.76 175.67 1df3 s SER 4 N -0.20 6.84 0.06 0.00 0.01 -1.26 -1.86 113.70 117.29 1df3 s SER 4 Ca 0.03 1.00 -0.36 0.00 1.31 0.00 0.00 55.95 57.92 1df3 s SER 4 Cb -0.07 -2.27 -0.20 0.00 0.21 0.00 0.00 66.02 63.69 1df3 s SER 4 CO 0.00 0.30 1.55 -1.28 0.41 0.00 0.00 173.24 174.22 1df3 h SER 5 N 4.80 -1.17 -1.35 2.44 0.87 -1.72 -3.11 113.55 114.30 1df3 h SER 5 Ca -0.51 0.05 -0.64 0.00 -1.23 0.00 0.00 61.79 59.47 1df3 h SER 5 Cb 1.22 0.32 -0.24 0.00 -0.44 0.00 0.00 62.40 63.26 1df3 h SER 5 CO 0.63 -0.77 0.81 1.07 -0.53 0.00 0.00 176.83 178.03 1df3 n THR 6 N -5.54 3.46 0.00 2.23 5.66 -1.16 -4.16 114.28 114.77 1df3 n THR 6 Ca -0.15 -3.35 0.00 0.00 -3.05 0.00 0.00 64.05 57.50 1df3 n THR 6 Cb 0.51 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 -0.28 2.24 2.99 1.09 0.00 -1.17 -5.00 105.19 105.06 1df3 n GLY 7 Ca 0.53 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 4.44 -2.84 1.61 5.12 -1.24 -4.90 116.66 118.84 1df3 n ARG 8 Ca 0.00 -4.56 -0.07 0.00 -1.93 0.00 0.00 57.85 51.29 1df3 n ARG 8 Cb 0.00 -2.50 0.01 0.00 -1.16 0.00 0.00 32.46 28.80 1df3 n ARG 8 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1df3 n ASN 9 N 1.30 -7.78 -4.61 0.55 3.02 -1.26 -4.61 115.26 101.87 1df3 n ASN 9 Ca 0.26 0.43 -0.41 0.00 -0.03 0.00 0.00 54.58 54.84 1df3 n ASN 9 Cb 0.33 -5.28 -0.06 0.00 -0.61 0.00 0.00 39.78 34.16 1df3 n ASN 9 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1df3 s PHE 10 N -2.63 3.24 -0.37 3.10 5.36 -1.26 -4.95 117.98 120.47 1df3 s PHE 10 Ca 0.21 0.66 -0.20 0.00 -0.96 0.00 0.00 56.93 56.64 1df3 s PHE 10 Cb -0.06 -2.93 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 1df3 s PHE 10 CO 0.75 -0.42 0.63 1.21 -1.46 0.00 0.00 175.22 175.93 1df3 s ASN 11 N 1.58 6.41 0.22 6.13 2.47 -1.26 -5.00 114.94 125.48 1df3 s ASN 11 Ca 0.25 0.07 -0.09 0.00 0.42 0.00 0.00 52.86 53.51 1df3 s ASN 11 Cb -0.15 -2.32 0.21 0.00 -1.45 0.00 0.00 41.25 37.53 1df3 s ASN 11 CO 0.11 -0.62 1.86 -0.37 -3.72 0.00 0.00 177.10 174.36 1df3 h VAL 12 N 5.71 1.12 0.00 -5.21 -1.51 -1.97 -3.18 116.25 111.21 1df3 h VAL 12 Ca -0.26 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1df3 h VAL 12 Cb 1.11 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1df3 h VAL 12 CO 0.84 0.17 -0.01 -0.33 -1.23 0.00 0.00 177.57 177.02 1df3 h GLU 13 N 0.95 0.00 0.00 5.19 5.08 -1.95 -1.91 114.58 121.94 1df3 h GLU 13 Ca 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1df3 h GLU 13 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1df3 h GLU 13 CO -0.10 0.01 -0.27 0.87 -1.00 0.00 0.00 179.01 178.51 1df3 h LYS 14 N 0.00 0.00 -1.28 2.33 1.57 -1.99 -3.15 116.57 114.05 1df3 h LYS 14 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1df3 h LYS 14 Cb 0.07 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.24 1df3 h LYS 14 CO 0.00 0.27 0.39 0.44 -0.57 0.00 0.00 179.45 179.97 1df3 n ILE 15 N -4.00 2.48 -3.53 1.86 -5.35 -0.72 -4.86 119.36 105.24 1df3 n ILE 15 Ca -0.02 -1.36 -0.42 0.00 -0.27 0.00 0.00 62.75 60.69 1df3 n ILE 15 Cb 0.34 -1.06 -0.11 0.00 -1.74 0.00 0.00 39.64 37.07 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 -0.00 5.92 0.00 7.28 2.47 -1.19 -4.70 114.94 124.71 1df3 s ASN 16 Ca 0.30 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.66 1df3 s ASN 16 Cb 0.25 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 1df3 s ASN 16 CO 0.02 -0.41 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 1df3 n GLY 17 N 5.08 0.16 3.67 1.21 0.00 -1.01 -5.04 105.19 109.26 1df3 n GLY 17 Ca -0.11 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 1.61 2.02 -1.26 -1.68 118.70 121.67 1df3 s GLU 18 Ca 0.00 1.49 -0.00 0.00 0.02 0.00 0.00 54.97 56.48 1df3 s GLU 18 Cb 0.00 -3.66 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 1df3 s GLU 18 CO 0.00 -0.60 0.00 -1.58 0.02 0.00 0.00 175.26 173.11 1df3 s TRP 19 N 3.04 0.03 -0.01 1.61 0.52 -1.12 -4.33 118.94 118.68 1df3 s TRP 19 Ca 0.49 -0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.57 1df3 s TRP 19 Cb -0.18 -0.02 0.00 0.00 -1.15 0.00 0.00 33.47 32.12 1df3 s TRP 19 CO 0.12 -0.03 -0.05 -1.01 0.02 0.00 0.00 176.95 176.01 1df3 s HIS 20 N -0.18 0.46 -0.48 -1.98 3.76 -0.66 -3.56 115.29 112.65 1df3 s HIS 20 Ca -0.02 -0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 1df3 s HIS 20 Cb -0.01 -0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.35 1df3 s HIS 20 CO -0.00 -0.03 1.56 0.99 -0.85 0.00 0.00 174.74 176.40 1df3 s THR 21 N 0.06 3.69 -0.12 1.30 2.01 -1.26 -2.37 115.64 118.96 1df3 s THR 21 Ca -0.00 0.63 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 1df3 s THR 21 Cb -0.04 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1df3 s THR 21 CO -0.00 -0.86 -0.16 -0.38 -0.69 0.00 0.00 174.62 172.52 1df3 n ILE 22 N 7.09 1.17 -3.78 1.82 2.08 -0.67 -3.87 119.36 123.20 1df3 n ILE 22 Ca 0.17 0.26 -0.19 0.00 0.56 0.00 0.00 62.75 63.55 1df3 n ILE 22 Cb 0.49 -2.23 -0.17 0.00 -0.75 0.00 0.00 39.64 36.97 1df3 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1df3 s ILE 23 N -2.07 0.08 -0.17 1.39 1.01 -1.07 -1.77 121.20 118.60 1df3 s ILE 23 Ca -0.13 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1df3 s ILE 23 Cb 0.02 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.24 1df3 s ILE 23 CO 0.20 0.18 -0.19 -0.22 0.00 0.00 0.00 174.94 174.90 1df3 s LEU 24 N 1.67 2.19 -0.11 2.97 2.96 -1.09 -0.92 118.68 126.36 1df3 s LEU 24 Ca -0.01 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1df3 s LEU 24 Cb -0.13 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1df3 s LEU 24 CO -0.03 0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 174.93 1df3 s ALA 25 N 1.13 1.43 -0.08 5.97 0.00 -1.10 -3.76 121.76 125.36 1df3 s ALA 25 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1df3 s ALA 25 Cb -0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 1df3 s ALA 25 CO -0.08 -0.28 -0.11 0.45 0.00 0.00 0.00 175.76 175.74 1df3 s SER 26 N 1.42 4.30 0.10 0.00 0.15 -1.26 -1.90 113.70 116.51 1df3 s SER 26 Ca 0.00 -0.15 -0.20 0.00 0.70 0.00 0.00 55.95 56.30 1df3 s SER 26 Cb -0.13 -1.15 -0.09 0.00 -1.71 0.00 0.00 66.02 62.93 1df3 s SER 26 CO -0.06 0.31 1.72 -0.78 1.20 0.00 0.00 173.24 175.63 1df3 h ASP 27 N 5.62 0.19 0.67 5.45 1.82 -1.83 -3.00 116.42 125.34 1df3 h ASP 27 Ca -0.43 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1df3 h ASP 27 Cb 1.17 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1df3 h ASP 27 CO 0.53 0.19 0.00 0.29 -1.61 0.00 0.00 179.24 178.64 1df3 n LYS 28 N -4.94 0.02 0.00 0.28 4.76 -1.26 -4.97 118.16 112.04 1df3 n LYS 28 Ca -0.04 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1df3 n LYS 28 Cb 0.06 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1df3 n LYS 28 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1df3 n ARG 29 N -1.55 0.00 -0.10 1.97 3.00 -1.14 -4.69 116.66 114.15 1df3 n ARG 29 Ca 0.04 0.00 0.25 0.00 -0.01 0.00 0.00 57.85 58.14 1df3 n ARG 29 Cb 0.22 0.00 0.71 0.00 0.00 0.00 0.00 32.46 33.40 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 -0.52 5.56 4.11 -1.93 -3.09 114.58 118.70 1df3 h GLU 30 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1df3 h GLU 30 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1df3 h GLU 30 CO 0.00 0.00 0.33 0.87 0.07 0.00 0.00 179.01 180.28 1df3 h LYS 31 N 0.00 0.65 0.00 1.06 1.79 -1.90 -3.15 116.57 115.01 1df3 h LYS 31 Ca 0.35 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.65 1df3 h LYS 31 Cb 1.44 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1df3 h LYS 31 CO -0.00 0.43 -0.66 -0.84 -1.08 0.00 0.00 179.45 177.30 1df3 h ILE 32 N 0.67 1.00 -3.65 1.86 3.07 -1.71 -2.49 117.51 116.26 1df3 h ILE 32 Ca 0.20 -2.44 -0.42 0.00 1.55 0.00 0.00 64.86 63.75 1df3 h ILE 32 Cb -0.03 2.48 0.19 0.00 -0.27 0.00 0.00 36.82 39.18 1df3 h ILE 32 CO -0.07 0.57 0.24 -1.61 -1.05 0.00 0.00 178.15 176.23 1df3 s GLU 33 N -2.91 -0.69 0.01 0.16 2.02 -1.19 -4.59 118.70 111.52 1df3 s GLU 33 Ca 0.03 -0.24 -0.37 0.00 0.02 0.00 0.00 54.97 54.40 1df3 s GLU 33 Cb 0.08 -1.68 -0.16 0.00 0.10 0.00 0.00 34.13 32.47 1df3 s GLU 33 CO 0.76 -3.33 1.43 -3.47 0.02 0.00 0.00 175.26 170.67 1df3 n ASP 34 N -4.45 1.81 -3.36 -0.19 2.03 -1.26 -2.29 116.55 108.84 1df3 n ASP 34 Ca 0.15 1.11 -0.16 0.00 0.52 0.00 0.00 54.79 56.40 1df3 n ASP 34 Cb 0.60 -1.18 0.08 0.00 -0.72 0.00 0.00 41.12 39.89 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 3.12 -4.10 -4.09 1.67 2.85 -1.26 -5.04 115.26 108.41 1df3 n ASN 35 Ca 0.20 -0.67 -0.22 0.00 -0.11 0.00 0.00 54.58 53.78 1df3 n ASN 35 Cb 0.18 -5.11 -0.15 0.00 1.24 0.00 0.00 39.78 35.93 1df3 n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1df3 s GLY 36 N -3.92 0.66 0.14 8.20 0.00 -0.97 -4.89 107.32 106.53 1df3 s GLY 36 Ca 0.21 -0.56 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 1df3 s GLY 36 CO 0.74 -0.44 1.51 3.43 0.00 0.00 0.00 173.10 178.34 1df3 h ASN 37 N 5.88 0.92 -0.61 1.64 4.21 -1.81 -3.12 115.58 122.70 1df3 h ASN 37 Ca -0.34 -0.41 -0.38 0.00 1.21 0.00 0.00 56.30 56.39 1df3 h ASN 37 Cb 1.16 -0.26 -0.15 0.00 -1.12 0.00 0.00 38.32 37.96 1df3 h ASN 37 CO 0.49 1.13 0.44 0.49 -1.29 0.00 0.00 177.43 178.69 1df3 n PHE 38 N -4.18 1.65 -3.28 1.19 3.72 -0.97 -4.78 117.46 110.81 1df3 n PHE 38 Ca -0.01 -2.03 -0.46 0.00 -0.05 0.00 0.00 57.45 54.89 1df3 n PHE 38 Cb 0.45 -1.07 -0.03 0.00 -0.94 0.00 0.00 39.48 37.90 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 -1.92 3.51 -0.07 -1.08 3.52 -1.02 -4.21 118.95 117.68 1df3 s ARG 39 Ca 0.38 -2.26 -0.03 0.00 -0.13 0.00 0.00 55.73 53.69 1df3 s ARG 39 Cb 0.28 -4.45 0.04 0.00 -1.56 0.00 0.00 34.95 29.26 1df3 s ARG 39 CO -0.04 -1.35 0.14 -0.51 -0.81 0.00 0.00 175.30 172.73 1df3 s LEU 40 N 0.67 0.31 -0.33 -0.88 1.43 -1.26 -4.58 118.68 114.04 1df3 s LEU 40 Ca 0.17 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1df3 s LEU 40 Cb -0.13 0.26 -0.00 0.00 0.03 0.00 0.00 46.19 46.35 1df3 s LEU 40 CO -0.07 -0.20 0.19 -0.36 0.23 0.00 0.00 176.35 176.14 1df3 s PHE 41 N 1.78 3.21 0.04 0.29 0.08 -0.80 -4.83 117.98 117.74 1df3 s PHE 41 Ca -0.02 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 1df3 s PHE 41 Cb -0.12 -2.41 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1df3 s PHE 41 CO -0.05 -0.47 1.22 -1.17 -0.10 0.00 0.00 175.22 174.64 1df3 s LEU 42 N 1.63 4.35 -0.16 -0.37 2.96 -1.26 -1.34 118.68 124.49 1df3 s LEU 42 Ca 0.05 2.00 -0.13 0.00 -0.22 0.00 0.00 54.13 55.82 1df3 s LEU 42 Cb -0.18 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 1df3 s LEU 42 CO 0.08 -0.51 -0.10 1.21 -1.32 0.00 0.00 176.35 175.70 1df3 n GLU 43 N 4.25 0.49 -3.70 1.98 2.13 -0.44 -4.07 120.64 121.28 1df3 n GLU 43 Ca 0.10 0.51 -0.12 0.00 0.66 0.00 0.00 57.16 58.31 1df3 n GLU 43 Cb 0.46 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.42 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 -2.32 0.88 -0.36 5.31 -2.07 -1.09 -2.79 119.66 117.22 1df3 s GLN 44 Ca -0.20 -0.41 -0.10 0.00 -1.82 0.00 0.00 55.36 52.83 1df3 s GLN 44 Cb 0.03 0.39 0.03 0.00 -1.09 0.00 0.00 33.01 32.38 1df3 s GLN 44 CO 0.33 -0.30 0.18 0.42 -1.32 0.00 0.00 175.29 174.60 1df3 s ILE 45 N -2.50 4.33 -0.20 3.63 1.01 -0.68 -0.92 121.20 125.87 1df3 s ILE 45 Ca -0.05 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.41 1df3 s ILE 45 Cb -0.01 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1df3 s ILE 45 CO -0.03 -0.23 0.73 -2.28 0.00 0.00 0.00 174.94 173.13 1df3 s HIS 46 N 1.51 3.37 -0.45 3.97 2.46 -0.39 -2.39 115.29 123.37 1df3 s HIS 46 Ca 0.01 1.06 -0.19 0.00 0.47 0.00 0.00 55.06 56.40 1df3 s HIS 46 Cb -0.19 -2.91 0.03 0.00 -0.13 0.00 0.00 32.58 29.38 1df3 s HIS 46 CO 0.05 -0.24 0.57 0.08 -2.47 0.00 0.00 174.74 172.73 1df3 s VAL 47 N 2.17 4.93 0.15 0.89 1.01 -1.26 -1.45 120.40 126.83 1df3 s VAL 47 Ca 0.33 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1df3 s VAL 47 Cb -0.16 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1df3 s VAL 47 CO 0.10 -0.58 0.45 -0.76 0.00 0.00 0.00 175.10 174.31 1df3 s LEU 48 N 2.53 4.27 0.16 3.92 1.43 -0.91 -5.02 118.68 125.07 1df3 s LEU 48 Ca 0.17 0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 1df3 s LEU 48 Cb -0.16 -3.31 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1df3 s LEU 48 CO 0.16 0.06 1.61 -0.08 0.23 0.00 0.00 176.35 178.32 1df3 h GLU 49 N 3.10 -0.23 -0.58 1.70 4.81 -2.02 -2.58 114.58 118.77 1df3 h GLU 49 Ca -0.47 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1df3 h GLU 49 Cb 1.18 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1df3 h GLU 49 CO 0.69 -0.15 0.00 0.36 -0.73 0.00 0.00 179.01 179.18 1df3 n LYS 50 N -5.41 2.61 -3.75 1.92 2.85 -1.26 -4.97 118.16 110.15 1df3 n LYS 50 Ca 0.01 -2.47 -0.13 0.00 -1.05 0.00 0.00 58.31 54.66 1df3 n LYS 50 Cb 0.33 -1.54 -0.14 0.00 -0.65 0.00 0.00 35.03 33.02 1df3 n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1df3 s SER 51 N -1.22 -0.15 -0.43 -5.58 1.04 -0.97 -3.00 113.70 103.39 1df3 s SER 51 Ca 0.45 0.36 -0.18 0.00 0.48 0.00 0.00 55.95 57.05 1df3 s SER 51 Cb 0.24 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1df3 s SER 51 CO 0.33 -0.15 0.50 -0.22 0.98 0.00 0.00 173.24 174.68 1df3 s LEU 52 N 1.12 4.77 -0.72 2.42 2.96 -0.72 -2.14 118.68 126.37 1df3 s LEU 52 Ca -0.09 -0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 53.07 1df3 s LEU 52 Cb -0.11 -2.49 0.16 0.00 0.50 0.00 0.00 46.19 44.25 1df3 s LEU 52 CO -0.06 -0.65 0.74 -0.69 -1.32 0.00 0.00 176.35 174.37 1df3 s VAL 53 N 2.35 5.19 -0.55 1.68 1.01 -0.53 -1.57 120.40 127.99 1df3 s VAL 53 Ca 0.15 -1.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.16 1df3 s VAL 53 Cb -0.16 -4.49 0.05 0.00 0.00 0.00 0.00 36.38 31.77 1df3 s VAL 53 CO 0.15 -1.09 0.87 -0.76 0.00 0.00 0.00 175.10 174.27 1df3 s LEU 54 N 1.49 4.33 -0.77 3.92 1.02 -0.60 -1.27 118.68 126.81 1df3 s LEU 54 Ca 0.15 -0.53 -0.23 0.00 0.02 0.00 0.00 54.13 53.54 1df3 s LEU 54 Cb -0.17 -2.71 0.07 0.00 0.02 0.00 0.00 46.19 43.39 1df3 s LEU 54 CO -0.02 -1.16 1.14 -0.54 0.02 0.00 0.00 176.35 175.79 1df3 s LYS 55 N 3.63 3.27 0.67 1.70 1.02 -0.09 -1.33 119.74 128.61 1df3 s LYS 55 Ca 0.26 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.42 1df3 s LYS 55 Cb -0.14 -4.48 0.12 0.00 -0.52 0.00 0.00 37.83 32.80 1df3 s LYS 55 CO 0.17 -1.95 0.93 -0.06 -0.92 0.00 0.00 175.35 173.51 1df3 s PHE 56 N 4.41 1.40 -0.24 3.18 0.08 -0.78 -1.32 117.98 124.71 1df3 s PHE 56 Ca 0.30 -0.49 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 1df3 s PHE 56 Cb -0.10 -2.68 0.07 0.00 -0.57 0.00 0.00 43.02 39.74 1df3 s PHE 56 CO 0.06 -1.55 0.58 -3.38 -0.10 0.00 0.00 175.22 170.83 1df3 s HIS 57 N -2.97 -0.90 0.06 0.36 -3.43 -0.45 -1.51 115.29 106.45 1df3 s HIS 57 Ca 0.65 1.82 0.00 0.00 -0.80 0.00 0.00 55.06 56.74 1df3 s HIS 57 Cb -0.05 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1df3 s HIS 57 CO 0.43 -0.47 0.21 -0.08 -2.00 0.00 0.00 174.74 172.83 1df3 s THR 58 N 1.62 5.38 -0.27 -5.38 -1.32 -0.84 -1.91 115.64 112.93 1df3 s THR 58 Ca -0.09 -0.41 -0.14 0.00 -1.21 0.00 0.00 61.69 59.84 1df3 s THR 58 Cb -0.07 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 1df3 s THR 58 CO -0.17 0.13 0.33 -0.69 -2.21 0.00 0.00 174.62 172.01 1df3 s VAL 59 N -1.52 5.21 -0.77 5.08 1.01 -1.26 -1.79 120.40 126.35 1df3 s VAL 59 Ca 0.35 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 1df3 s VAL 59 Cb -0.13 -3.66 0.20 0.00 0.00 0.00 0.00 36.38 32.78 1df3 s VAL 59 CO 0.28 0.19 0.63 -0.60 0.00 0.00 0.00 175.10 175.60 1df3 s ARG 60 N 1.93 3.04 -0.82 2.72 3.52 -0.90 -4.77 118.95 123.67 1df3 s ARG 60 Ca 0.14 -2.81 -0.02 0.00 -0.13 0.00 0.00 55.73 52.90 1df3 s ARG 60 Cb -0.16 -3.95 -0.00 0.00 -1.56 0.00 0.00 34.95 29.28 1df3 s ARG 60 CO 0.10 -1.23 0.70 -0.25 -0.81 0.00 0.00 175.30 173.81 1df3 n ASP 61 N 3.13 -6.73 0.00 -2.12 9.92 -1.26 -3.47 116.55 116.02 1df3 n ASP 61 Ca 0.14 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1df3 n ASP 61 Cb 0.39 -4.17 0.00 0.00 -0.64 0.00 0.00 41.12 36.70 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 -2.30 0.00 -3.27 -1.24 1.02 -1.26 -5.00 120.64 108.58 1df3 n GLU 62 Ca -0.10 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.65 1df3 n GLU 62 Cb 0.57 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.91 3.49 -6.30 -1.23 -5.02 118.70 112.83 1df3 s GLU 63 Ca 0.00 0.29 -0.23 0.00 -2.50 0.00 0.00 54.97 52.54 1df3 s GLU 63 Cb 0.00 -3.62 0.07 0.00 0.00 0.00 0.00 34.13 30.57 1df3 s GLU 63 CO 0.00 -0.27 1.29 0.00 0.02 0.00 0.00 175.26 176.30 1df3 s SER 65 N 4.31 6.05 -0.06 0.00 0.01 -0.74 -4.99 113.70 118.27 1df3 s SER 65 Ca 0.38 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.53 1df3 s SER 65 Cb -0.04 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1df3 s SER 65 CO -0.03 0.06 0.56 -1.83 0.41 0.00 0.00 173.24 172.41 1df3 s GLU 66 N 1.08 4.34 -0.26 12.44 -1.05 -1.26 -1.99 118.70 131.99 1df3 s GLU 66 Ca 0.07 0.64 0.02 0.00 -0.15 0.00 0.00 54.97 55.55 1df3 s GLU 66 Cb -0.14 -3.40 0.07 0.00 -0.44 0.00 0.00 34.13 30.22 1df3 s GLU 66 CO 0.05 0.23 -0.06 -1.17 0.95 0.00 0.00 175.26 175.26 1df3 s LEU 67 N 0.31 3.23 -0.36 1.83 0.20 -0.57 -4.96 118.68 118.36 1df3 s LEU 67 Ca 0.30 -1.43 -0.21 0.00 0.69 0.00 0.00 54.13 53.48 1df3 s LEU 67 Cb -0.17 -1.38 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 1df3 s LEU 67 CO 0.14 -0.24 0.68 -0.55 -0.29 0.00 0.00 176.35 176.09 1df3 s SER 68 N 1.21 6.46 -0.49 3.68 0.15 -1.26 -1.86 113.70 121.60 1df3 s SER 68 Ca -0.04 0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 1df3 s SER 68 Cb -0.19 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1df3 s SER 68 CO -0.07 -0.64 0.58 -0.04 1.20 0.00 0.00 173.24 174.27 1df3 s MET 69 N 2.83 3.12 -0.53 5.44 1.00 -0.44 -4.94 119.30 125.78 1df3 s MET 69 Ca 0.26 -0.87 -0.22 0.00 0.00 0.00 0.00 55.69 54.86 1df3 s MET 69 Cb -0.14 -4.07 0.04 0.00 0.00 0.00 0.00 34.83 30.66 1df3 s MET 69 CO 0.16 -1.14 0.83 0.08 0.00 0.00 0.00 175.02 174.95 1df3 s VAL 70 N 2.49 4.56 -0.55 -6.03 1.01 -1.26 -1.55 120.40 119.07 1df3 s VAL 70 Ca 0.14 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1df3 s VAL 70 Cb -0.19 -4.44 0.08 0.00 0.00 0.00 0.00 36.38 31.83 1df3 s VAL 70 CO 0.12 -0.98 0.68 0.00 0.00 0.00 0.00 175.10 174.92 1df3 s ALA 71 N 3.48 3.38 0.43 5.51 0.00 -0.61 -4.57 121.76 129.39 1df3 s ALA 71 Ca 0.26 -1.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 1df3 s ALA 71 Cb -0.14 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1df3 s ALA 71 CO 0.17 -2.19 1.00 0.16 0.00 0.00 0.00 175.76 174.91 1df3 s ASP 72 N 3.13 6.74 -0.28 0.00 -4.77 -0.67 -1.76 116.67 119.05 1df3 s ASP 72 Ca 0.14 1.87 -0.29 0.00 -3.30 0.00 0.00 52.55 50.97 1df3 s ASP 72 Cb -0.21 -2.56 -0.02 0.00 -1.09 0.00 0.00 42.92 39.03 1df3 s ASP 72 CO 0.10 -0.50 1.75 -0.54 0.70 0.00 0.00 175.17 176.67 1df3 s LYS 73 N -2.92 3.51 -0.15 2.11 -0.14 -1.16 -1.08 119.74 119.91 1df3 s LYS 73 Ca 0.62 1.55 -0.14 0.00 -1.36 0.00 0.00 55.97 56.64 1df3 s LYS 73 Cb -0.16 -4.14 -0.11 0.00 -1.68 0.00 0.00 37.83 31.74 1df3 s LYS 73 CO 0.20 -1.64 0.15 0.00 -0.76 0.00 0.00 175.35 173.29 1df3 h THR 74 N 6.56 0.57 0.00 2.17 1.03 -1.76 -3.48 112.91 118.00 1df3 h THR 74 Ca -0.34 -1.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.50 1df3 h THR 74 Cb 1.17 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 1df3 h THR 74 CO 1.02 0.19 0.00 -0.62 -0.01 0.00 0.00 175.52 176.10 1df3 n GLU 75 N -4.61 0.00 -2.91 0.00 1.02 -1.26 -5.12 120.64 107.76 1df3 n GLU 75 Ca -0.12 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 1df3 n GLU 75 Cb 0.35 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.46 2.81 -0.25 3.49 -0.14 -1.26 -5.04 119.74 118.89 1df3 s LYS 76 Ca 0.00 -0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 53.52 1df3 s LYS 76 Cb 0.00 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 1df3 s LYS 76 CO 0.00 -0.41 1.85 0.00 -0.76 0.00 0.00 175.35 176.03 1df3 s ALA 77 N -2.56 2.99 0.00 5.17 0.00 -1.26 -2.96 121.76 123.14 1df3 s ALA 77 Ca 0.53 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1df3 s ALA 77 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1df3 s ALA 77 CO 0.36 -2.41 0.00 0.41 0.00 0.00 0.00 175.76 174.12 1df3 n GLY 78 N 5.24 1.42 2.93 0.00 0.00 -1.26 -4.23 105.19 109.29 1df3 n GLY 78 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1df3 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1df3 s GLU 79 N -1.21 0.40 0.39 1.61 2.12 -1.16 -2.98 118.70 117.87 1df3 s GLU 79 Ca 0.00 0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.78 1df3 s GLU 79 Cb 0.00 -0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.07 1df3 s GLU 79 CO 0.00 -0.83 0.46 0.71 -0.54 0.00 0.00 175.26 175.05 1df3 s TYR 80 N 2.57 2.85 -0.25 5.30 2.02 -1.13 -2.35 117.35 126.36 1df3 s TYR 80 Ca 0.12 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1df3 s TYR 80 Cb -0.14 -2.17 0.10 0.00 -0.40 0.00 0.00 41.96 39.36 1df3 s TYR 80 CO -0.23 -0.17 0.57 0.45 -1.57 0.00 0.00 175.55 174.60 1df3 s SER 81 N -4.20 -0.81 0.12 2.29 0.15 -0.25 -2.00 113.70 109.01 1df3 s SER 81 Ca 0.49 1.34 -0.15 0.00 0.70 0.00 0.00 55.95 58.33 1df3 s SER 81 Cb -0.07 1.69 -0.07 0.00 -1.71 0.00 0.00 66.02 65.86 1df3 s SER 81 CO 0.30 -0.22 0.53 -0.69 1.20 0.00 0.00 173.24 174.36 1df3 s VAL 82 N 2.38 4.87 -0.68 4.45 1.01 -0.87 -1.68 120.40 129.89 1df3 s VAL 82 Ca -0.06 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 1df3 s VAL 82 Cb -0.10 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.71 1df3 s VAL 82 CO -0.17 0.31 0.60 -0.89 0.00 0.00 0.00 175.10 174.95 1df3 s THR 83 N -1.38 5.03 -0.17 3.92 2.01 -1.26 -1.84 115.64 121.95 1df3 s THR 83 Ca 0.35 -2.24 -0.04 0.00 0.31 0.00 0.00 61.69 60.07 1df3 s THR 83 Cb -0.16 -4.18 0.08 0.00 0.01 0.00 0.00 72.50 68.26 1df3 s THR 83 CO 0.19 -0.94 0.22 -0.47 -0.69 0.00 0.00 174.62 172.93 1df3 s TYR 84 N 0.61 -0.30 -1.10 4.92 5.04 -1.26 -4.95 117.35 120.31 1df3 s TYR 84 Ca 0.13 0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 55.08 1df3 s TYR 84 Cb -0.18 -0.29 -0.04 0.00 0.35 0.00 0.00 41.96 41.80 1df3 s TYR 84 CO -0.04 -0.52 0.88 -0.25 -1.34 0.00 0.00 175.55 174.28 1df3 n ASP 85 N 5.33 -5.63 0.00 4.32 9.92 -1.26 -4.77 116.55 124.46 1df3 n ASP 85 Ca -0.05 -0.79 0.00 0.00 -0.53 0.00 0.00 54.79 53.41 1df3 n ASP 85 Cb 0.50 -4.65 0.00 0.00 -0.64 0.00 0.00 41.12 36.33 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 -1.37 1.00 3.57 0.44 0.00 -1.26 -4.82 105.19 102.76 1df3 n GLY 86 Ca -0.11 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.81 2.92 -0.33 1.61 5.36 -1.17 -4.65 117.98 118.91 1df3 s PHE 87 Ca 0.00 0.45 -0.07 0.00 -0.96 0.00 0.00 56.93 56.35 1df3 s PHE 87 Cb 0.00 -4.00 0.03 0.00 -0.34 0.00 0.00 43.02 38.71 1df3 s PHE 87 CO 0.00 -1.10 0.11 0.54 -1.46 0.00 0.00 175.22 173.31 1df3 s ASN 88 N 2.26 5.31 -0.75 6.13 4.22 -0.76 -2.06 114.94 129.29 1df3 s ASN 88 Ca 0.38 -1.05 -0.26 0.00 -2.14 0.00 0.00 52.86 49.80 1df3 s ASN 88 Cb -0.10 -1.88 0.01 0.00 1.28 0.00 0.00 41.25 40.56 1df3 s ASN 88 CO 0.26 -0.31 1.50 0.42 -2.04 0.00 0.00 177.10 176.94 1df3 s THR 89 N 1.43 3.63 -0.53 0.54 -4.23 -0.91 -2.04 115.64 113.53 1df3 s THR 89 Ca -0.01 0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 1df3 s THR 89 Cb -0.19 -4.62 0.05 0.00 1.34 0.00 0.00 72.50 69.08 1df3 s THR 89 CO 0.03 -1.56 0.75 0.12 -0.54 0.00 0.00 174.62 173.43 1df3 s PHE 90 N 6.81 2.94 -0.01 3.99 5.36 -0.85 -2.33 117.98 133.90 1df3 s PHE 90 Ca 0.47 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 1df3 s PHE 90 Cb -0.08 -3.76 0.01 0.00 -0.34 0.00 0.00 43.02 38.84 1df3 s PHE 90 CO 0.12 -1.17 -0.03 0.99 -1.46 0.00 0.00 175.22 173.68 1df3 s THR 91 N 3.17 0.25 -0.46 0.12 2.01 -0.70 -2.82 115.64 117.21 1df3 s THR 91 Ca 0.21 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1df3 s THR 91 Cb -0.17 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 72.16 1df3 s THR 91 CO 0.15 0.10 0.38 -0.63 -0.69 0.00 0.00 174.62 173.93 1df3 s ILE 92 N 0.22 5.24 0.19 1.82 1.01 -1.26 -2.39 121.20 126.02 1df3 s ILE 92 Ca -0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1df3 s ILE 92 Cb -0.05 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1df3 s ILE 92 CO -0.00 -0.53 1.62 1.55 0.00 0.00 0.00 174.94 177.57 1df3 h PRO 93 N 8.74 0.98 -3.92 2.79 0.13 -1.91 -2.80 132.00 136.00 1df3 h PRO 93 Ca -0.28 -0.36 -0.46 0.00 -0.87 0.00 0.00 66.00 64.03 1df3 h PRO 93 Cb 1.11 -0.06 -0.37 0.00 0.13 0.00 0.00 31.00 31.81 1df3 h PRO 93 CO 0.85 1.03 -0.78 0.15 -0.23 0.00 0.00 178.00 179.03 1df3 s LYS 94 N -4.82 0.94 -0.18 0.86 1.02 -1.22 -4.13 119.74 112.21 1df3 s LYS 94 Ca -0.11 -0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 1df3 s LYS 94 Cb 0.13 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1df3 s LYS 94 CO 0.86 -0.26 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.91 1df3 s THR 95 N 1.73 3.63 -0.77 2.17 -1.32 -0.78 -1.47 115.64 118.84 1df3 s THR 95 Ca 0.03 -0.43 -0.04 0.00 -1.21 0.00 0.00 61.69 60.04 1df3 s THR 95 Cb -0.13 -2.61 0.19 0.00 -1.51 0.00 0.00 72.50 68.44 1df3 s THR 95 CO -0.05 0.46 0.63 -0.62 -2.21 0.00 0.00 174.62 172.82 1df3 s ASP 96 N 0.85 5.73 -0.40 8.08 -1.08 -0.40 -1.51 116.67 127.94 1df3 s ASP 96 Ca -0.01 -3.21 -0.28 0.00 -0.52 0.00 0.00 52.55 48.52 1df3 s ASP 96 Cb -0.15 -1.92 -0.30 0.00 -1.46 0.00 0.00 42.92 39.09 1df3 s ASP 96 CO 0.01 -0.31 1.77 0.00 0.52 0.00 0.00 175.17 177.16 1df3 n TYR 97 N 3.04 0.62 0.00 -5.34 0.18 -1.26 -2.10 117.16 112.30 1df3 n TYR 97 Ca 0.14 -0.69 0.00 0.00 1.88 0.00 0.00 57.90 59.24 1df3 n TYR 97 Cb 0.38 -1.37 0.00 0.00 -0.38 0.00 0.00 39.34 37.97 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 11.29 0.00 0.03 9.48 -0.08 -1.26 -4.58 116.55 131.43 1df3 n ASP 98 Ca 0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1df3 n ASP 98 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1df3 n ASP 98 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1df3 n ASN 99 N 0.00 0.68 -4.47 1.67 2.85 -0.89 -4.68 115.26 110.42 1df3 n ASN 99 Ca 0.00 0.09 -0.23 0.00 -0.11 0.00 0.00 54.58 54.33 1df3 n ASN 99 Cb 0.00 -0.21 -0.10 0.00 1.24 0.00 0.00 39.78 40.71 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 -1.61 2.08 -0.28 1.20 -0.12 -1.04 -1.50 117.98 116.71 1df3 s PHE 100 Ca 0.00 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.17 1df3 s PHE 100 Cb 0.00 -1.26 0.16 0.00 -0.63 0.00 0.00 43.02 41.29 1df3 s PHE 100 CO 0.00 0.28 0.44 -1.17 -0.05 0.00 0.00 175.22 174.72 1df3 s LEU 101 N -3.50 -0.89 -0.40 -1.99 0.20 -0.13 -1.28 118.68 110.68 1df3 s LEU 101 Ca 0.32 -0.06 -0.26 0.00 0.69 0.00 0.00 54.13 54.82 1df3 s LEU 101 Cb 0.05 1.30 0.02 0.00 -0.43 0.00 0.00 46.19 47.14 1df3 s LEU 101 CO 0.14 -0.33 0.96 -0.04 -0.29 0.00 0.00 176.35 176.80 1df3 s MET 102 N 2.60 3.76 -0.12 1.98 -1.94 -0.54 -1.49 119.30 123.55 1df3 s MET 102 Ca 0.11 0.50 0.01 0.00 -1.71 0.00 0.00 55.69 54.60 1df3 s MET 102 Cb -0.13 -3.85 -0.01 0.00 2.01 0.00 0.00 34.83 32.85 1df3 s MET 102 CO -0.25 -1.08 -0.14 0.00 -0.01 0.00 0.00 175.02 173.54 1df3 s ALA 103 N 3.69 2.58 -0.19 3.03 0.00 -0.80 -3.37 121.76 126.71 1df3 s ALA 103 Ca 0.40 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1df3 s ALA 103 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1df3 s ALA 103 CO 0.22 0.29 0.07 -1.58 0.00 0.00 0.00 175.76 174.76 1df3 s HIS 104 N 0.23 3.26 -0.15 0.00 2.46 -1.01 -1.63 115.29 118.45 1df3 s HIS 104 Ca -0.09 0.08 0.01 0.00 0.47 0.00 0.00 55.06 55.53 1df3 s HIS 104 Cb -0.16 -2.10 0.02 0.00 -0.13 0.00 0.00 32.58 30.21 1df3 s HIS 104 CO 0.05 0.14 -0.17 -1.17 -2.47 0.00 0.00 174.74 171.13 1df3 s LEU 105 N 0.45 1.85 -0.41 8.88 0.20 -0.75 -1.72 118.68 127.17 1df3 s LEU 105 Ca 0.04 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1df3 s LEU 105 Cb -0.12 -1.27 0.11 0.00 -0.43 0.00 0.00 46.19 44.48 1df3 s LEU 105 CO 0.00 -0.01 0.16 -0.63 -0.29 0.00 0.00 176.35 175.58 1df3 s ILE 106 N 1.26 2.85 -0.31 6.68 1.01 -0.98 -1.29 121.20 130.42 1df3 s ILE 106 Ca 0.01 -2.34 -0.17 0.00 0.00 0.00 0.00 60.65 58.15 1df3 s ILE 106 Cb -0.14 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1df3 s ILE 106 CO -0.08 -0.68 0.45 0.21 0.00 0.00 0.00 174.94 174.84 1df3 s ASN 107 N 1.20 6.30 -0.42 3.58 3.84 -0.69 -2.15 114.94 126.61 1df3 s ASN 107 Ca 0.11 0.13 -0.24 0.00 0.21 0.00 0.00 52.86 53.07 1df3 s ASN 107 Cb -0.21 -2.24 0.02 0.00 -0.55 0.00 0.00 41.25 38.26 1df3 s ASN 107 CO -0.05 -0.34 0.82 -1.61 -2.79 0.00 0.00 177.10 173.13 1df3 s GLU 108 N 2.23 3.57 -0.55 0.43 8.01 -0.87 -1.66 118.70 129.86 1df3 s GLU 108 Ca 0.17 0.12 0.04 0.00 0.01 0.00 0.00 54.97 55.31 1df3 s GLU 108 Cb -0.16 -3.89 0.14 0.00 -4.31 0.00 0.00 34.13 25.92 1df3 s GLU 108 CO 0.11 -1.04 0.30 0.21 0.01 0.00 0.00 175.26 174.85 1df3 s LYS 109 N 3.33 2.01 -1.03 1.61 2.47 -0.90 -3.02 119.74 124.21 1df3 s LYS 109 Ca 0.32 -2.71 -0.15 0.00 -1.56 0.00 0.00 55.97 51.87 1df3 s LYS 109 Cb -0.12 -3.25 -0.01 0.00 -1.46 0.00 0.00 37.83 32.99 1df3 s LYS 109 CO 0.21 -1.15 0.76 -3.47 0.16 0.00 0.00 175.35 171.86 1df3 n ASP 110 N 2.92 -5.64 -1.80 1.43 2.03 -1.26 -2.35 116.55 111.88 1df3 n ASP 110 Ca 0.08 -0.87 -0.19 0.00 0.52 0.00 0.00 54.79 54.33 1df3 n ASP 110 Cb 0.33 -3.41 -0.06 0.00 -0.72 0.00 0.00 41.12 37.26 1df3 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1df3 n GLY 111 N -1.69 1.15 2.70 0.27 0.00 -1.26 -4.99 105.19 101.37 1df3 n GLY 111 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1df3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 112 N -4.02 0.60 -0.24 1.61 2.02 -0.99 -5.13 118.70 112.55 1df3 s GLU 112 Ca 0.00 -0.86 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 1df3 s GLU 112 Cb 0.00 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 1df3 s GLU 112 CO 0.00 -0.94 0.14 0.99 0.02 0.00 0.00 175.26 175.48 1df3 s THR 113 N 1.75 5.13 -0.13 3.63 2.01 -1.26 -2.12 115.64 124.66 1df3 s THR 113 Ca 0.08 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1df3 s THR 113 Cb -0.17 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1df3 s THR 113 CO -0.25 0.34 -0.10 0.72 -0.69 0.00 0.00 174.62 174.64 1df3 s PHE 114 N 1.19 2.87 -0.37 4.92 -0.12 -0.67 -4.97 117.98 120.84 1df3 s PHE 114 Ca 0.07 -0.51 -0.17 0.00 -0.05 0.00 0.00 56.93 56.26 1df3 s PHE 114 Cb -0.14 -1.86 0.00 0.00 -0.63 0.00 0.00 43.02 40.39 1df3 s PHE 114 CO 0.05 -0.13 0.46 1.14 -0.05 0.00 0.00 175.22 176.69 1df3 s GLN 115 N 0.28 3.46 -0.31 1.99 -2.07 -1.26 -1.70 119.66 120.05 1df3 s GLN 115 Ca -0.08 -0.39 -0.06 0.00 -1.82 0.00 0.00 55.36 53.01 1df3 s GLN 115 Cb -0.15 -3.85 0.02 0.00 -1.09 0.00 0.00 33.01 27.94 1df3 s GLN 115 CO 0.05 -0.68 0.09 -1.17 -1.32 0.00 0.00 175.29 172.26 1df3 s LEU 116 N 2.25 4.06 -0.18 2.60 0.20 -0.41 -2.28 118.68 124.91 1df3 s LEU 116 Ca 0.15 -0.92 -0.04 0.00 0.69 0.00 0.00 54.13 54.01 1df3 s LEU 116 Cb -0.16 -1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1df3 s LEU 116 CO 0.13 -0.26 -0.02 -0.32 -0.29 0.00 0.00 176.35 175.60 1df3 s MET 117 N 1.45 3.62 -0.10 1.98 1.75 -0.80 -1.82 119.30 125.38 1df3 s MET 117 Ca 0.00 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 53.94 1df3 s MET 117 Cb -0.18 -3.00 0.01 0.00 2.84 0.00 0.00 34.83 34.50 1df3 s MET 117 CO 0.02 0.10 -0.17 0.20 -0.65 0.00 0.00 175.02 174.52 1df3 s GLY 118 N 0.74 1.09 -0.20 2.11 0.00 -0.65 -2.70 107.32 107.71 1df3 s GLY 118 Ca -0.01 -0.76 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 1df3 s GLY 118 CO 0.02 0.05 0.79 -2.27 0.00 0.00 0.00 173.10 171.69 1df3 s LEU 119 N 0.75 4.13 0.25 0.66 2.96 -0.09 -1.90 118.68 125.44 1df3 s LEU 119 Ca -0.11 1.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.95 1df3 s LEU 119 Cb -0.16 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.34 1df3 s LEU 119 CO 0.02 -0.42 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.14 1df3 s TYR 120 N 2.36 2.08 -0.04 5.38 2.02 -0.56 -1.68 117.35 126.92 1df3 s TYR 120 Ca 0.35 -0.42 -0.22 0.00 -0.37 0.00 0.00 57.07 56.41 1df3 s TYR 120 Cb -0.16 -0.92 0.05 0.00 -0.40 0.00 0.00 41.96 40.52 1df3 s TYR 120 CO 0.10 0.59 0.49 0.20 -1.57 0.00 0.00 175.55 175.35 1df3 s GLY 121 N -3.42 -0.36 0.26 0.71 0.00 -1.00 -0.95 107.32 102.56 1df3 s GLY 121 Ca 0.27 0.82 -0.03 0.00 0.00 0.00 0.00 44.72 45.78 1df3 s GLY 121 CO 0.12 0.55 1.79 3.21 0.00 0.00 0.00 173.10 178.76 1df3 h ARG 122 N 3.53 0.91 -6.30 2.90 2.47 -1.46 -1.76 114.38 114.67 1df3 h ARG 122 Ca -0.28 -0.20 -0.56 0.00 -1.26 0.00 0.00 59.98 57.68 1df3 h ARG 122 Cb 1.16 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.31 1df3 h ARG 122 CO 0.39 0.82 0.04 -1.21 0.56 0.00 0.00 179.97 180.57 1df3 s GLU 123 N -5.21 4.34 0.49 0.04 2.02 -1.26 -4.77 118.70 114.35 1df3 s GLU 123 Ca -0.10 0.88 0.35 0.00 0.02 0.00 0.00 54.97 56.12 1df3 s GLU 123 Cb 0.15 -3.27 1.49 0.00 0.10 0.00 0.00 34.13 32.61 1df3 s GLU 123 CO 0.81 0.57 1.70 -1.35 0.02 0.00 0.00 175.26 177.01 1df3 h PRO 124 N 4.68 0.08 -4.66 0.39 0.11 -1.94 -3.39 132.00 127.27 1df3 h PRO 124 Ca -0.48 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 1df3 h PRO 124 Cb 1.21 -0.02 -0.35 0.00 0.11 0.00 0.00 31.00 31.95 1df3 h PRO 124 CO 0.65 0.06 -0.83 0.16 -0.21 0.00 0.00 178.00 177.83 1df3 s ASP 125 N -4.69 2.31 0.44 -2.05 -4.77 -1.26 -4.69 116.67 101.96 1df3 s ASP 125 Ca -0.06 -0.40 0.03 0.00 -3.30 0.00 0.00 52.55 48.82 1df3 s ASP 125 Cb 0.26 -1.02 0.01 0.00 -1.09 0.00 0.00 42.92 41.07 1df3 s ASP 125 CO 0.83 0.01 0.63 -0.76 0.70 0.00 0.00 175.17 176.58 1df3 s LEU 126 N 1.00 3.65 0.68 2.11 1.43 -1.26 -5.09 118.68 121.20 1df3 s LEU 126 Ca -0.07 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 1df3 s LEU 126 Cb -0.15 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.15 1df3 s LEU 126 CO -0.01 -0.74 1.09 -0.55 0.23 0.00 0.00 176.35 176.37 1df3 s SER 127 N -4.27 5.11 0.36 2.29 0.15 -1.26 -4.86 113.70 111.21 1df3 s SER 127 Ca 0.50 1.90 0.06 0.00 0.70 0.00 0.00 55.95 59.11 1df3 s SER 127 Cb -0.10 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.42 1df3 s SER 127 CO 0.36 -1.63 1.94 0.77 1.20 0.00 0.00 173.24 175.88 1df3 h SER 128 N -0.22 0.67 -0.65 5.45 4.64 -1.99 -2.08 113.55 119.37 1df3 h SER 128 Ca -0.46 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1df3 h SER 128 Cb 1.24 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1df3 h SER 128 CO 0.54 0.42 0.20 0.44 -0.87 0.00 0.00 176.83 177.56 1df3 h ASP 129 N 0.76 0.95 0.07 4.97 5.19 -1.99 -1.46 116.42 124.90 1df3 h ASP 129 Ca 0.34 -0.21 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1df3 h ASP 129 Cb 0.34 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1df3 h ASP 129 CO -0.12 0.91 -0.10 0.40 -3.12 0.00 0.00 179.24 177.20 1df3 h ILE 130 N 0.94 0.76 -0.97 0.35 1.08 -1.85 -1.90 117.51 115.92 1df3 h ILE 130 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 1df3 h ILE 130 Cb 0.30 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1df3 h ILE 130 CO -0.01 0.00 0.62 0.11 -0.69 0.00 0.00 178.15 178.19 1df3 h LYS 131 N -0.21 1.04 -0.90 2.37 1.57 -1.44 -2.36 116.57 116.64 1df3 h LYS 131 Ca 0.02 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1df3 h LYS 131 Cb 0.22 -0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 1df3 h LYS 131 CO -0.05 0.69 0.56 0.93 -0.57 0.00 0.00 179.45 181.00 1df3 h GLU 132 N 1.07 0.97 -0.43 3.15 5.08 -1.18 -1.71 114.58 121.52 1df3 h GLU 132 Ca 0.43 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 1df3 h GLU 132 Cb 0.27 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1df3 h GLU 132 CO -0.19 0.64 0.11 0.00 -1.00 0.00 0.00 179.01 178.58 1df3 h ARG 133 N 1.00 0.25 -0.09 2.33 2.47 -0.83 -2.29 114.38 117.21 1df3 h ARG 133 Ca 0.40 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.13 1df3 h ARG 133 Cb 0.23 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1df3 h ARG 133 CO -0.19 0.16 -0.02 0.35 0.56 0.00 0.00 179.97 180.83 1df3 h PHE 134 N 0.26 -0.05 -0.61 3.04 3.57 -1.32 -2.40 116.94 119.43 1df3 h PHE 134 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1df3 h PHE 134 Cb 0.24 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1df3 h PHE 134 CO -0.19 -0.04 0.26 0.00 -2.23 0.00 0.00 178.31 176.11 1df3 h ALA 135 N 1.09 0.79 -0.46 2.41 0.00 -1.25 -0.24 119.26 121.61 1df3 h ALA 135 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1df3 h ALA 135 Cb 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1df3 h ALA 135 CO -0.10 0.39 0.09 0.37 0.00 0.00 0.00 179.25 180.01 1df3 h GLN 136 N 0.84 0.22 -0.96 0.00 -0.00 -1.49 -2.66 115.11 111.06 1df3 h GLN 136 Ca 0.21 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.85 1df3 h GLN 136 Cb 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 27.56 1df3 h GLN 136 CO -0.02 0.15 0.64 1.25 0.00 0.00 0.00 178.83 180.85 1df3 h LEU 137 N 0.23 1.11 -0.05 -2.39 5.85 -1.25 -2.46 115.31 116.35 1df3 h LEU 137 Ca 0.23 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1df3 h LEU 137 Cb 0.29 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1df3 h LEU 137 CO -0.29 0.80 -0.08 0.00 -0.34 0.00 0.00 178.44 178.53 1df3 h GLU 139 N -0.12 0.99 -0.55 0.00 4.81 -1.51 -1.14 114.58 117.06 1df3 h GLU 139 Ca 0.05 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1df3 h GLU 139 Cb 0.19 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1df3 h GLU 139 CO -0.12 0.90 0.29 1.49 -0.73 0.00 0.00 179.01 180.85 1df3 h GLU 140 N 0.93 0.55 -0.12 1.92 4.22 -1.41 -3.30 114.58 117.37 1df3 h GLU 140 Ca 0.19 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.54 1df3 h GLU 140 Cb 0.39 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1df3 h GLU 140 CO 0.01 0.36 -0.14 0.45 -2.18 0.00 0.00 179.01 177.51 1df3 h HIS 141 N 0.56 0.36 0.00 0.92 3.86 -1.20 -3.49 115.15 116.17 1df3 h HIS 141 Ca 0.24 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1df3 h HIS 141 Cb 0.13 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1df3 h HIS 141 CO -0.09 0.73 0.00 0.41 0.86 0.00 0.00 177.93 179.84 1df3 n GLY 142 N 0.26 1.05 3.26 2.45 0.00 -0.54 -5.11 105.19 106.56 1df3 n GLY 142 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1df3 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1df3 s ILE 143 N -1.38 2.72 0.45 -0.61 1.01 -0.56 -4.96 121.20 117.87 1df3 s ILE 143 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 1df3 s ILE 143 Cb 0.00 -2.16 -0.08 0.00 0.01 0.00 0.00 42.46 40.23 1df3 s ILE 143 CO 0.00 0.50 1.32 -0.76 0.00 0.00 0.00 174.94 176.01 1df3 s LEU 144 N 0.94 4.09 0.58 2.97 1.43 -1.26 -4.08 118.68 123.34 1df3 s LEU 144 Ca -0.03 2.68 0.34 0.00 -1.03 0.00 0.00 54.13 56.10 1df3 s LEU 144 Cb -0.15 -4.03 1.76 0.00 0.03 0.00 0.00 46.19 43.80 1df3 s LEU 144 CO -0.02 -1.07 2.16 0.03 0.23 0.00 0.00 176.35 177.68 1df3 h ARG 145 N 2.27 0.00 -0.16 1.70 -0.00 -1.97 -3.14 114.38 113.08 1df3 h ARG 145 Ca -0.50 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 58.91 1df3 h ARG 145 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.22 1df3 h ARG 145 CO 0.61 0.05 -0.21 0.93 0.00 0.00 0.00 179.97 181.35 1df3 h GLU 146 N 0.00 0.28 0.00 0.04 4.39 -2.02 -3.15 114.58 114.12 1df3 h GLU 146 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1df3 h GLU 146 Cb 0.25 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1df3 h GLU 146 CO 0.01 0.48 -0.02 -2.95 -1.16 0.00 0.00 179.01 175.37 1df3 h ASN 147 N 0.26 0.00 -3.13 1.42 7.08 -1.90 -3.47 115.58 115.84 1df3 h ASN 147 Ca 0.04 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.70 1df3 h ASN 147 Cb 0.51 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.71 1df3 h ASN 147 CO 0.03 0.02 1.11 -0.63 -2.08 0.00 0.00 177.43 175.88 1df3 s ILE 148 N -3.48 3.82 -0.22 6.14 1.01 -1.19 -4.79 121.20 122.49 1df3 s ILE 148 Ca 0.03 0.85 -0.14 0.00 0.00 0.00 0.00 60.65 61.39 1df3 s ILE 148 Cb 0.07 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1df3 s ILE 148 CO 0.60 -0.65 0.32 -0.63 0.00 0.00 0.00 174.94 174.58 1df3 s ILE 149 N 5.64 5.24 -0.60 2.92 1.01 -1.25 -5.06 121.20 129.11 1df3 s ILE 149 Ca 0.65 0.53 -0.22 0.00 0.00 0.00 0.00 60.65 61.61 1df3 s ILE 149 Cb -0.16 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.72 1df3 s ILE 149 CO 0.32 0.27 0.86 -0.62 0.00 0.00 0.00 174.94 175.77 1df3 s ASP 150 N 1.12 6.22 0.00 3.58 -1.08 -1.26 -2.67 116.67 122.57 1df3 s ASP 150 Ca 0.15 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.52 1df3 s ASP 150 Cb -0.14 -2.38 1.21 0.00 -1.46 0.00 0.00 42.92 40.14 1df3 s ASP 150 CO 0.07 -1.24 1.81 0.18 0.52 0.00 0.00 175.17 176.51 1df3 n LEU 151 N 7.16 0.00 -4.57 -1.34 7.99 -0.73 -4.73 117.00 120.78 1df3 n LEU 151 Ca -0.04 0.32 -0.40 0.00 -0.01 0.00 0.00 56.01 55.88 1df3 n LEU 151 Cb 0.45 -0.32 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 1df3 n LEU 151 CO 0.61 -0.06 1.56 -0.55 -1.51 0.00 0.00 177.39 177.44 1df3 s SER 152 N -2.64 5.55 -0.61 -1.43 0.15 -0.99 -3.38 113.70 110.34 1df3 s SER 152 Ca 0.21 0.69 -0.02 0.00 0.70 0.00 0.00 55.95 57.53 1df3 s SER 152 Cb 0.16 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 1df3 s SER 152 CO 0.39 -2.09 0.55 -3.20 1.20 0.00 0.00 173.24 170.09 1df3 n ASN 153 N 11.67 -5.69 0.00 5.45 2.85 -1.26 -5.03 115.26 123.25 1df3 n ASN 153 Ca 0.21 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1df3 n ASN 153 Cb 0.50 -3.91 0.00 0.00 1.24 0.00 0.00 39.78 37.61 1df3 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1df3 n ALA 154 N -2.05 0.88 -3.32 5.20 0.00 -1.22 -5.04 120.51 114.96 1df3 n ALA 154 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1df3 n ALA 154 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1df3 n ALA 154 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1df3 s ASN 155 N 0.91 1.18 0.00 0.00 0.01 -1.26 -5.01 114.94 110.77 1df3 s ASN 155 Ca 0.00 -2.77 0.00 0.00 -0.71 0.00 0.00 52.86 49.38 1df3 s ASN 155 Cb 0.00 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.55 1df3 s ASN 155 CO 0.00 -0.17 0.43 -1.14 -1.51 0.00 0.00 177.10 174.71 1df3 n ARG 156 N 3.02 0.00 0.14 -0.60 0.63 -1.26 -4.92 116.66 113.67 1df3 n ARG 156 Ca 0.26 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1df3 n ARG 156 Cb 0.48 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.29 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 -6.20 4.16 -0.11 0.00 2.01 -1.26 -5.03 118.68 112.25 1df3 s LEU 158 Ca 0.00 1.29 -0.28 0.00 0.01 0.00 0.00 54.13 55.16 1df3 s LEU 158 Cb 0.00 -3.37 -0.02 0.00 0.01 0.00 0.00 46.19 42.81 1df3 s LEU 158 CO 0.00 -0.48 0.92 -1.10 1.01 0.00 0.00 176.35 176.69 1df3 s GLN 159 N 2.43 4.40 -0.06 1.70 1.11 -1.26 -5.01 119.66 122.97 1df3 s GLN 159 Ca 0.42 1.22 -0.27 0.00 0.01 0.00 0.00 55.36 56.74 1df3 s GLN 159 Cb -0.16 -3.54 -0.22 0.00 -1.01 0.00 0.00 33.01 28.08 1df3 s GLN 159 CO 0.12 -0.26 1.12 0.00 0.01 0.00 0.00 175.29 176.28 1df3 h ALA 160 N 7.11 -0.01 -1.64 6.09 0.00 -1.96 -3.41 119.26 125.44 1df3 h ALA 160 Ca -0.32 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.64 1df3 h ALA 160 Cb 1.15 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1df3 h ALA 160 CO 0.83 -0.19 0.76 0.50 0.00 0.00 0.00 179.25 181.15 1df3 s ARG 161 N -3.66 3.28 0.00 0.00 6.06 -1.26 -5.31 118.95 118.06 1df3 s ARG 161 Ca -0.17 -1.02 0.00 0.00 -2.50 0.00 0.00 55.73 52.04 1df3 s ARG 161 Cb 0.00 -4.50 0.00 0.00 0.06 0.00 0.00 34.95 30.52 1df3 s ARG 161 CO 0.67 -1.88 0.00 0.39 -2.50 0.00 0.00 175.30 171.99