#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 0.00 -4.96 5.31 1.02 -1.14 -4.98 120.64 115.90 1df3 n GLU 2 Ca 0.00 0.37 -0.31 0.00 -0.02 0.00 0.00 57.16 57.20 1df3 n GLU 2 Cb 0.00 -0.87 -0.14 0.00 -0.02 0.00 0.00 31.44 30.41 1df3 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1df3 s ALA 3 N -0.26 2.40 -0.31 0.62 0.00 -0.61 -4.74 121.76 118.87 1df3 s ALA 3 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1df3 s ALA 3 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1df3 s ALA 3 CO 0.00 0.55 0.55 -1.12 0.00 0.00 0.00 175.76 175.73 1df3 s SER 4 N -1.00 6.40 0.09 0.00 0.01 -1.23 -2.20 113.70 115.76 1df3 s SER 4 Ca 0.12 0.27 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 1df3 s SER 4 Cb -0.10 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.76 1df3 s SER 4 CO 0.02 -0.42 1.55 0.77 0.41 0.00 0.00 173.24 175.57 1df3 h SER 5 N 8.25 0.39 0.10 2.44 4.64 -1.66 -3.21 113.55 124.50 1df3 h SER 5 Ca -0.28 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1df3 h SER 5 Cb 1.13 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1df3 h SER 5 CO 0.76 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 177.28 1df3 h THR 6 N 0.20 0.00 -2.15 2.95 1.03 -1.66 -3.35 112.91 109.94 1df3 h THR 6 Ca 0.07 -0.05 -0.45 0.00 -0.01 0.00 0.00 66.41 65.98 1df3 h THR 6 Cb 0.34 1.04 0.05 0.00 -1.07 0.00 0.00 68.15 68.51 1df3 h THR 6 CO 0.01 0.00 -0.03 -0.83 -0.01 0.00 0.00 175.52 174.66 1df3 s GLY 7 N -4.14 1.82 -1.27 2.99 0.00 -1.21 -4.51 107.32 100.99 1df3 s GLY 7 Ca -0.04 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 1df3 s GLY 7 CO 0.42 -1.18 1.79 -2.13 0.00 0.00 0.00 173.10 172.01 1df3 n ARG 8 N -2.40 3.53 -2.68 2.90 0.63 -1.26 -4.48 116.66 112.90 1df3 n ARG 8 Ca 0.10 -3.56 -0.04 0.00 -0.92 0.00 0.00 57.85 53.44 1df3 n ARG 8 Cb 0.60 -2.97 0.12 0.00 0.45 0.00 0.00 32.46 30.66 1df3 n ARG 8 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1df3 n ASN 9 N 4.39 -1.56 -3.66 6.15 0.23 -1.26 -5.14 115.26 114.41 1df3 n ASN 9 Ca 0.40 -2.31 -0.10 0.00 -0.53 0.00 0.00 54.58 52.04 1df3 n ASN 9 Cb 0.38 0.78 -0.08 0.00 -2.08 0.00 0.00 39.78 38.78 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 0.07 -0.86 -0.28 -2.53 5.36 -1.26 -4.30 117.98 114.19 1df3 s PHE 10 Ca 0.14 1.84 -0.08 0.00 -0.96 0.00 0.00 56.93 57.87 1df3 s PHE 10 Cb 0.43 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.53 1df3 s PHE 10 CO -0.11 -0.43 0.09 1.21 -1.46 0.00 0.00 175.22 174.52 1df3 s ASN 11 N 1.12 5.21 0.19 6.13 2.47 -1.26 -5.03 114.94 123.77 1df3 s ASN 11 Ca -0.06 -0.41 -0.12 0.00 0.42 0.00 0.00 52.86 52.68 1df3 s ASN 11 Cb -0.05 -1.93 0.13 0.00 -1.45 0.00 0.00 41.25 37.95 1df3 s ASN 11 CO -0.11 -0.11 1.82 -0.37 -3.72 0.00 0.00 177.10 174.61 1df3 h VAL 12 N 5.66 1.06 -0.01 -5.21 -1.51 -2.00 -3.22 116.25 111.01 1df3 h VAL 12 Ca -0.35 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1df3 h VAL 12 Cb 1.16 0.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1df3 h VAL 12 CO 0.59 0.12 0.02 -0.33 -1.23 0.00 0.00 177.57 176.75 1df3 h GLU 13 N 0.68 0.00 -0.32 5.19 5.08 -1.96 -2.44 114.58 120.81 1df3 h GLU 13 Ca 0.23 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1df3 h GLU 13 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1df3 h GLU 13 CO -0.10 0.00 -0.04 0.87 -1.00 0.00 0.00 179.01 178.73 1df3 h LYS 14 N 0.00 0.52 -0.99 2.33 1.57 -1.99 -3.18 116.57 114.83 1df3 h LYS 14 Ca 0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1df3 h LYS 14 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1df3 h LYS 14 CO -0.00 0.58 0.03 0.44 -0.57 0.00 0.00 179.45 179.93 1df3 n ILE 15 N -4.25 0.79 -3.21 1.86 -5.35 -0.92 -4.84 119.36 103.44 1df3 n ILE 15 Ca 0.01 -0.14 -0.45 0.00 -0.27 0.00 0.00 62.75 61.90 1df3 n ILE 15 Cb 0.27 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 37.35 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 0.45 6.19 0.00 7.28 2.47 -1.20 -4.65 114.94 125.48 1df3 s ASN 16 Ca 0.05 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 52.03 1df3 s ASN 16 Cb 0.04 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.58 1df3 s ASN 16 CO 0.01 -0.91 0.00 0.61 -3.72 0.00 0.00 177.10 173.09 1df3 n GLY 17 N 5.23 -0.97 3.71 1.21 0.00 -1.06 -5.01 105.19 108.30 1df3 n GLY 17 Ca -0.10 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1df3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1df3 s GLU 18 N -1.96 4.45 -0.15 1.61 2.02 -1.26 -2.10 118.70 121.31 1df3 s GLU 18 Ca 0.00 1.65 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 1df3 s GLU 18 Cb 0.00 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.87 1df3 s GLU 18 CO 0.00 -0.23 0.05 -1.58 0.02 0.00 0.00 175.26 173.52 1df3 s TRP 19 N 1.24 0.53 -0.11 1.61 0.52 -1.14 -4.39 118.94 117.20 1df3 s TRP 19 Ca 0.56 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 56.20 1df3 s TRP 19 Cb -0.26 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.22 1df3 s TRP 19 CO 0.27 -0.48 0.17 -1.01 0.02 0.00 0.00 176.95 175.93 1df3 s HIS 20 N 2.02 3.61 -0.41 -1.98 3.76 -0.27 -4.17 115.29 117.85 1df3 s HIS 20 Ca 0.02 0.58 -0.28 0.00 -0.15 0.00 0.00 55.06 55.22 1df3 s HIS 20 Cb -0.15 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1df3 s HIS 20 CO -0.07 0.73 1.61 0.99 -0.85 0.00 0.00 174.74 177.15 1df3 s THR 21 N -1.03 3.67 -0.08 1.30 2.01 -0.72 -1.66 115.64 119.12 1df3 s THR 21 Ca 0.16 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1df3 s THR 21 Cb -0.12 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 1df3 s THR 21 CO 0.05 -0.67 0.12 0.40 -0.69 0.00 0.00 174.62 173.83 1df3 h ILE 22 N 6.64 0.00 -3.18 1.82 1.08 -1.25 -3.04 117.51 119.58 1df3 h ILE 22 Ca -0.30 -0.82 -0.32 0.00 -0.39 0.00 0.00 64.86 63.03 1df3 h ILE 22 Cb 1.14 0.00 -0.37 0.00 -3.07 0.00 0.00 36.82 34.52 1df3 h ILE 22 CO 1.08 0.00 -0.67 -0.63 -0.69 0.00 0.00 178.15 177.24 1df3 s ILE 23 N -1.82 -0.19 -0.31 -0.67 1.01 -1.07 -1.97 121.20 116.18 1df3 s ILE 23 Ca -0.01 0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 1df3 s ILE 23 Cb 0.00 -0.24 0.04 0.00 0.01 0.00 0.00 42.46 42.28 1df3 s ILE 23 CO 0.04 0.15 0.04 -0.22 0.00 0.00 0.00 174.94 174.96 1df3 s LEU 24 N 2.15 4.03 -0.14 2.97 2.96 -1.11 -1.15 118.68 128.39 1df3 s LEU 24 Ca 0.03 -1.17 -0.00 0.00 -0.22 0.00 0.00 54.13 52.76 1df3 s LEU 24 Cb -0.12 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1df3 s LEU 24 CO -0.05 -0.28 -0.09 0.00 -1.32 0.00 0.00 176.35 174.62 1df3 s ALA 25 N 1.33 1.54 -0.10 5.97 0.00 -1.05 -3.91 121.76 125.53 1df3 s ALA 25 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1df3 s ALA 25 Cb -0.19 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1df3 s ALA 25 CO 0.01 -0.50 -0.15 0.45 0.00 0.00 0.00 175.76 175.56 1df3 s SER 26 N 1.62 3.91 0.31 0.00 0.15 -1.26 -1.32 113.70 117.11 1df3 s SER 26 Ca 0.04 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1df3 s SER 26 Cb -0.13 -1.34 0.55 0.00 -1.71 0.00 0.00 66.02 63.39 1df3 s SER 26 CO -0.09 0.22 1.91 -0.78 1.20 0.00 0.00 173.24 175.71 1df3 h ASP 27 N 6.28 0.89 -0.90 5.45 3.58 -1.72 -2.71 116.42 127.29 1df3 h ASP 27 Ca -0.31 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.19 1df3 h ASP 27 Cb 1.20 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 42.01 1df3 h ASP 27 CO 0.53 0.57 0.59 0.50 -2.88 0.00 0.00 179.24 178.55 1df3 h LYS 28 N 1.01 1.04 0.00 0.28 3.11 -1.92 -3.48 116.57 116.60 1df3 h LYS 28 Ca 0.39 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1df3 h LYS 28 Cb 0.21 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1df3 h LYS 28 CO -0.15 0.69 0.00 0.54 -2.81 0.00 0.00 179.45 177.72 1df3 n ARG 29 N -4.47 0.00 0.20 1.90 1.74 -1.02 -4.71 116.66 110.30 1df3 n ARG 29 Ca 0.13 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.26 1df3 n ARG 29 Cb 0.15 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.03 1df3 n ARG 29 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1df3 h GLU 30 N 0.00 0.00 -0.63 5.56 4.11 -1.93 -3.33 114.58 118.36 1df3 h GLU 30 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1df3 h GLU 30 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1df3 h GLU 30 CO 0.00 0.31 0.37 0.87 0.07 0.00 0.00 179.01 180.63 1df3 h LYS 31 N 0.00 0.69 0.00 1.06 1.79 -1.84 -3.04 116.57 115.22 1df3 h LYS 31 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1df3 h LYS 31 Cb 0.61 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1df3 h LYS 31 CO 0.04 0.45 0.00 -0.84 -1.08 0.00 0.00 179.45 178.02 1df3 h ILE 32 N 0.71 0.00 -3.46 1.86 3.07 -1.71 -3.01 117.51 114.96 1df3 h ILE 32 Ca 0.26 -0.65 -0.41 0.00 1.55 0.00 0.00 64.86 65.61 1df3 h ILE 32 Cb 0.09 1.62 0.20 0.00 -0.27 0.00 0.00 36.82 38.46 1df3 h ILE 32 CO -0.13 0.00 0.15 -1.61 -1.05 0.00 0.00 178.15 175.51 1df3 s GLU 33 N -3.22 -1.42 -0.30 0.16 2.02 -1.15 -4.59 118.70 110.20 1df3 s GLU 33 Ca 0.08 -0.23 -0.34 0.00 0.02 0.00 0.00 54.97 54.50 1df3 s GLU 33 Cb 0.09 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.63 1df3 s GLU 33 CO 0.60 -3.81 2.17 -3.47 0.02 0.00 0.00 175.26 170.77 1df3 n ASP 34 N -4.80 2.48 -3.75 -0.19 2.03 -1.26 -2.05 116.55 109.02 1df3 n ASP 34 Ca 0.15 0.41 -0.23 0.00 0.52 0.00 0.00 54.79 55.65 1df3 n ASP 34 Cb 0.60 -1.33 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 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 9.97 -1.99 -2.04 1.67 5.15 -1.26 -4.98 115.26 121.78 1df3 n ASN 35 Ca 0.37 -0.81 -0.22 0.00 -0.60 0.00 0.00 54.58 53.32 1df3 n ASN 35 Cb 0.28 -4.03 0.16 0.00 -0.53 0.00 0.00 39.78 35.66 1df3 n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1df3 n GLY 36 N -1.61 4.88 5.00 8.20 0.00 -0.87 -5.00 105.19 115.78 1df3 n GLY 36 Ca -0.23 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1df3 n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1df3 n ASN 37 N -1.09 0.00 -2.56 1.61 2.85 -1.26 -4.41 115.26 110.40 1df3 n ASN 37 Ca 0.55 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.67 1df3 n ASN 37 Cb 1.36 0.00 0.05 0.00 1.24 0.00 0.00 39.78 42.43 1df3 n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1df3 n PHE 38 N 0.00 2.86 -3.48 1.20 3.01 -1.14 -4.74 117.46 115.18 1df3 n PHE 38 Ca 0.00 -2.57 -0.42 0.00 1.01 0.00 0.00 57.45 55.48 1df3 n PHE 38 Cb 0.00 -1.30 -0.04 0.00 -0.01 0.00 0.00 39.48 38.13 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 -3.61 3.60 -0.17 -1.08 3.52 -1.21 -4.09 118.95 115.91 1df3 s ARG 39 Ca 0.57 -3.01 -0.00 0.00 -0.13 0.00 0.00 55.73 53.15 1df3 s ARG 39 Cb 0.45 -4.24 0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1df3 s ARG 39 CO -0.20 -1.25 -0.07 -0.51 -0.81 0.00 0.00 175.30 172.46 1df3 s LEU 40 N -0.87 1.78 0.07 -0.88 1.43 -1.26 -4.76 118.68 114.18 1df3 s LEU 40 Ca 0.26 -0.70 0.27 0.00 -1.03 0.00 0.00 54.13 52.92 1df3 s LEU 40 Cb -0.10 -1.01 0.81 0.00 0.03 0.00 0.00 46.19 45.91 1df3 s LEU 40 CO -0.09 -0.16 1.66 0.49 0.23 0.00 0.00 176.35 178.48 1df3 n PHE 41 N 4.82 0.30 -1.82 0.29 3.01 -0.83 -4.86 117.46 118.37 1df3 n PHE 41 Ca -0.13 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1df3 n PHE 41 Cb 0.48 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1df3 n PHE 41 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1df3 n LEU 42 N -1.78 -4.86 -0.07 4.37 7.94 -1.26 -1.76 117.00 119.59 1df3 n LEU 42 Ca 0.06 1.76 -0.06 0.00 -1.11 0.00 0.00 56.01 56.66 1df3 n LEU 42 Cb 0.38 -2.38 -0.03 0.00 0.53 0.00 0.00 43.42 41.91 1df3 n LEU 42 CO 0.31 -1.79 -0.13 -0.08 -1.11 0.00 0.00 177.39 174.59 1df3 h GLU 43 N 2.62 0.00 -3.03 1.96 4.22 -1.44 -3.38 114.58 115.53 1df3 h GLU 43 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1df3 h GLU 43 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1df3 h GLU 43 CO 0.00 0.24 -0.13 1.14 -2.18 0.00 0.00 179.01 178.08 1df3 s GLN 44 N -1.97 0.89 -0.38 1.92 -2.07 -1.01 -2.89 119.66 114.14 1df3 s GLN 44 Ca -0.11 -0.35 -0.18 0.00 -1.82 0.00 0.00 55.36 52.90 1df3 s GLN 44 Cb 0.01 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 1df3 s GLN 44 CO 0.23 -0.30 0.51 0.42 -1.32 0.00 0.00 175.29 174.84 1df3 s ILE 45 N -2.33 5.00 -0.43 3.63 1.01 -0.89 -1.65 121.20 125.54 1df3 s ILE 45 Ca -0.06 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1df3 s ILE 45 Cb -0.01 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.46 1df3 s ILE 45 CO -0.01 -0.33 0.50 -2.28 0.00 0.00 0.00 174.94 172.81 1df3 s HIS 46 N 2.40 3.14 -0.55 3.97 2.46 -0.67 -2.56 115.29 123.48 1df3 s HIS 46 Ca 0.18 -0.33 -0.22 0.00 0.47 0.00 0.00 55.06 55.15 1df3 s HIS 46 Cb -0.16 -3.05 0.05 0.00 -0.13 0.00 0.00 32.58 29.30 1df3 s HIS 46 CO 0.14 -0.77 0.84 0.08 -2.47 0.00 0.00 174.74 172.57 1df3 s VAL 47 N 2.31 4.54 0.44 0.89 1.01 -1.26 -1.36 120.40 126.97 1df3 s VAL 47 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1df3 s VAL 47 Cb -0.17 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.67 1df3 s VAL 47 CO 0.15 -1.06 0.81 -0.76 0.00 0.00 0.00 175.10 174.23 1df3 s LEU 48 N 3.52 3.75 0.26 3.92 1.43 -0.56 -5.00 118.68 126.01 1df3 s LEU 48 Ca 0.24 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1df3 s LEU 48 Cb -0.15 -4.07 0.55 0.00 0.03 0.00 0.00 46.19 42.55 1df3 s LEU 48 CO 0.15 -0.47 1.73 -0.33 0.23 0.00 0.00 176.35 177.67 1df3 h GLU 49 N 1.01 0.48 -0.01 1.70 5.08 -2.03 -2.39 114.58 118.42 1df3 h GLU 49 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1df3 h GLU 49 Cb 1.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1df3 h GLU 49 CO 0.63 0.32 -0.62 1.17 -1.00 0.00 0.00 179.01 179.51 1df3 n LYS 50 N -4.97 0.83 -3.86 2.33 4.81 -1.26 -5.05 118.16 110.98 1df3 n LYS 50 Ca 0.17 -0.68 -0.11 0.00 -0.87 0.00 0.00 58.31 56.82 1df3 n LYS 50 Cb 0.48 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 1df3 n LYS 50 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1df3 s SER 51 N -2.64 -0.02 -0.52 3.14 1.04 -0.90 -1.36 113.70 112.44 1df3 s SER 51 Ca 0.16 -0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.34 1df3 s SER 51 Cb 0.18 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.57 1df3 s SER 51 CO 0.66 -0.23 0.72 -0.76 0.98 0.00 0.00 173.24 174.61 1df3 s LEU 52 N -0.78 4.73 -0.75 2.42 1.02 -0.65 -1.49 118.68 123.18 1df3 s LEU 52 Ca -0.09 -0.77 -0.25 0.00 0.02 0.00 0.00 54.13 53.05 1df3 s LEU 52 Cb -0.05 -2.55 0.05 0.00 0.02 0.00 0.00 46.19 43.66 1df3 s LEU 52 CO 0.01 -0.99 1.18 -0.69 0.02 0.00 0.00 176.35 175.87 1df3 s VAL 53 N 3.00 4.00 -0.80 -1.59 1.01 -0.46 -1.52 120.40 124.04 1df3 s VAL 53 Ca 0.19 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1df3 s VAL 53 Cb -0.17 -4.84 0.08 0.00 0.00 0.00 0.00 36.38 31.44 1df3 s VAL 53 CO 0.14 -1.71 1.11 -0.76 0.00 0.00 0.00 175.10 173.88 1df3 s LEU 54 N 4.93 4.33 -0.89 3.92 1.43 -0.86 -1.67 118.68 129.86 1df3 s LEU 54 Ca 0.31 -1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 1df3 s LEU 54 Cb -0.10 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 43.75 1df3 s LEU 54 CO 0.10 -1.38 1.21 -0.54 0.23 0.00 0.00 176.35 175.96 1df3 s LYS 55 N 3.97 3.46 0.72 1.70 1.02 -0.66 -1.66 119.74 128.29 1df3 s LYS 55 Ca 0.30 -1.25 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 1df3 s LYS 55 Cb -0.10 -4.85 0.06 0.00 -0.52 0.00 0.00 37.83 32.42 1df3 s LYS 55 CO 0.02 -1.95 1.04 -0.06 -0.92 0.00 0.00 175.35 173.49 1df3 s PHE 56 N 3.92 2.97 -0.05 3.18 0.08 -0.68 -1.55 117.98 125.85 1df3 s PHE 56 Ca 0.35 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.95 1df3 s PHE 56 Cb -0.06 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.20 1df3 s PHE 56 CO -0.04 -1.43 0.00 -3.38 -0.10 0.00 0.00 175.22 170.28 1df3 s HIS 57 N -3.30 0.52 -0.12 0.36 -3.43 -1.26 -2.31 115.29 105.74 1df3 s HIS 57 Ca 0.60 -0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 54.69 1df3 s HIS 57 Cb -0.11 -0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 30.34 1df3 s HIS 57 CO 0.46 -0.25 0.19 -0.08 -2.00 0.00 0.00 174.74 173.06 1df3 s THR 58 N 1.66 5.40 -0.33 -5.38 -1.32 -0.84 -1.97 115.64 112.86 1df3 s THR 58 Ca -0.00 0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.68 1df3 s THR 58 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 72.50 67.36 1df3 s THR 58 CO -0.03 0.56 0.24 -0.69 -2.21 0.00 0.00 174.62 172.48 1df3 s VAL 59 N -0.61 5.29 -0.74 5.08 1.01 -1.26 -2.39 120.40 126.77 1df3 s VAL 59 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1df3 s VAL 59 Cb -0.13 -3.68 0.18 0.00 0.00 0.00 0.00 36.38 32.76 1df3 s VAL 59 CO 0.04 0.05 0.56 0.00 0.00 0.00 0.00 175.10 175.75 1df3 s ARG 60 N 1.75 2.73 -0.95 2.72 1.70 -0.88 -4.78 118.95 121.24 1df3 s ARG 60 Ca 0.07 -3.10 -0.07 0.00 -0.47 0.00 0.00 55.73 52.15 1df3 s ARG 60 Cb -0.17 -3.67 -0.03 0.00 -0.57 0.00 0.00 34.95 30.52 1df3 s ARG 60 CO 0.11 -1.24 0.80 -0.25 -1.08 0.00 0.00 175.30 173.64 1df3 n ASP 61 N 2.49 -6.60 0.00 -2.89 8.00 -1.26 -3.41 116.55 112.88 1df3 n ASP 61 Ca 0.17 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1df3 n ASP 61 Cb 0.36 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1df3 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1df3 n GLU 62 N -2.93 0.00 -2.88 -1.24 1.02 -1.26 -5.00 120.64 108.35 1df3 n GLU 62 Ca -0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1df3 n GLU 62 Cb 0.58 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 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 4.11 -0.59 3.49 2.12 -1.22 -5.03 118.70 121.58 1df3 s GLU 63 Ca 0.00 0.86 -0.23 0.00 0.36 0.00 0.00 54.97 55.95 1df3 s GLU 63 Cb 0.00 -3.68 0.05 0.00 0.26 0.00 0.00 34.13 30.77 1df3 s GLU 63 CO 0.00 -0.60 0.93 0.00 -0.54 0.00 0.00 175.26 175.05 1df3 s SER 65 N 3.13 4.96 -0.08 0.00 0.01 -1.00 -5.00 113.70 115.72 1df3 s SER 65 Ca 0.26 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.35 1df3 s SER 65 Cb -0.14 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.25 1df3 s SER 65 CO 0.15 0.19 0.24 -1.61 0.41 0.00 0.00 173.24 172.62 1df3 s GLU 66 N 0.27 3.65 -0.28 12.44 2.02 -1.26 -1.99 118.70 133.55 1df3 s GLU 66 Ca -0.02 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1df3 s GLU 66 Cb -0.14 -3.21 0.08 0.00 0.10 0.00 0.00 34.13 30.97 1df3 s GLU 66 CO 0.02 0.73 0.04 -1.17 0.02 0.00 0.00 175.26 174.90 1df3 s LEU 67 N -0.98 2.72 -0.40 1.80 0.20 -0.98 -4.96 118.68 116.07 1df3 s LEU 67 Ca 0.18 -1.52 -0.26 0.00 0.69 0.00 0.00 54.13 53.23 1df3 s LEU 67 Cb -0.14 -1.08 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 1df3 s LEU 67 CO 0.07 -0.34 0.95 -0.94 -0.29 0.00 0.00 176.35 175.79 1df3 s SER 68 N 1.44 6.63 -0.45 3.68 1.04 -1.26 -1.68 113.70 123.09 1df3 s SER 68 Ca 0.04 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1df3 s SER 68 Cb -0.18 -2.47 0.12 0.00 0.10 0.00 0.00 66.02 63.59 1df3 s SER 68 CO -0.14 -0.94 0.22 -0.32 0.98 0.00 0.00 173.24 173.04 1df3 s MET 69 N 3.63 1.99 -0.42 4.02 0.00 -0.67 -4.92 119.30 122.93 1df3 s MET 69 Ca 0.39 -2.11 -0.24 0.00 0.00 0.00 0.00 55.69 53.73 1df3 s MET 69 Cb -0.11 -3.48 0.02 0.00 0.00 0.00 0.00 34.83 31.26 1df3 s MET 69 CO 0.22 -1.07 0.84 0.08 0.00 0.00 0.00 175.02 175.09 1df3 s VAL 70 N 0.60 4.61 -0.42 10.11 1.01 -1.26 -2.03 120.40 133.02 1df3 s VAL 70 Ca 0.12 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 1df3 s VAL 70 Cb -0.22 -4.33 0.11 0.00 0.00 0.00 0.00 36.38 31.94 1df3 s VAL 70 CO -0.04 -0.67 0.23 0.00 0.00 0.00 0.00 175.10 174.62 1df3 s ALA 71 N 3.39 3.21 0.31 5.51 0.00 -0.57 -4.57 121.76 129.04 1df3 s ALA 71 Ca 0.33 -2.47 -0.16 0.00 0.00 0.00 0.00 51.96 49.65 1df3 s ALA 71 Cb -0.12 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 1df3 s ALA 71 CO 0.22 -1.79 0.75 0.34 0.00 0.00 0.00 175.76 175.28 1df3 s ASP 72 N 2.02 6.83 -0.30 0.00 2.15 -1.16 -1.63 116.67 124.57 1df3 s ASP 72 Ca 0.07 1.33 -0.29 0.00 0.43 0.00 0.00 52.55 54.09 1df3 s ASP 72 Cb -0.23 -2.39 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1df3 s ASP 72 CO -0.03 -0.18 1.77 -0.54 -0.17 0.00 0.00 175.17 176.02 1df3 s LYS 73 N -2.83 3.44 0.00 4.34 1.02 -0.47 -2.25 119.74 122.99 1df3 s LYS 73 Ca 0.53 1.49 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1df3 s LYS 73 Cb -0.11 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 1df3 s LYS 73 CO 0.18 -1.73 0.00 -2.37 -0.92 0.00 0.00 175.35 170.50 1df3 n THR 74 N 7.22 0.00 -1.29 2.17 5.66 -1.14 -5.03 114.28 121.88 1df3 n THR 74 Ca 0.22 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.93 1df3 n THR 74 Cb 0.46 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.43 1df3 n THR 74 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1df3 s GLU 75 N 2.31 0.16 0.32 1.09 2.02 -1.26 -5.00 118.70 118.34 1df3 s GLU 75 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1df3 s GLU 75 Cb 0.00 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1df3 s GLU 75 CO 0.00 -2.85 0.00 1.17 0.02 0.00 0.00 175.26 173.60 1df3 n LYS 76 N -4.21 -2.20 -1.64 1.61 3.00 -1.26 -3.89 118.16 109.57 1df3 n LYS 76 Ca 0.08 1.71 -0.42 0.00 -0.00 0.00 0.00 58.31 59.68 1df3 n LYS 76 Cb 0.59 -2.15 -0.01 0.00 0.00 0.00 0.00 35.03 33.45 1df3 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1df3 n ALA 77 N -2.16 5.14 0.00 3.14 0.00 -1.26 -4.14 120.51 121.22 1df3 n ALA 77 Ca -0.00 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.66 1df3 n ALA 77 Cb 0.27 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.16 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 4.19 0.67 2.75 0.00 0.00 -1.26 -3.83 105.19 107.72 1df3 n GLY 78 Ca 0.52 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.92 -0.03 -0.29 1.61 -6.30 -1.25 -3.47 118.70 108.04 1df3 s GLU 79 Ca 0.00 0.33 -0.01 0.00 -2.50 0.00 0.00 54.97 52.79 1df3 s GLU 79 Cb 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 34.13 33.83 1df3 s GLU 79 CO 0.00 -0.25 -0.03 0.71 0.02 0.00 0.00 175.26 175.71 1df3 s TYR 80 N 1.69 3.23 -0.19 5.30 2.02 -0.94 -2.89 117.35 125.57 1df3 s TYR 80 Ca -0.02 -1.88 -0.06 0.00 -0.37 0.00 0.00 57.07 54.74 1df3 s TYR 80 Cb -0.12 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1df3 s TYR 80 CO -0.04 -0.80 0.02 0.45 -1.57 0.00 0.00 175.55 173.61 1df3 s SER 81 N 1.24 5.16 -0.02 2.29 0.15 -0.95 -2.41 113.70 119.15 1df3 s SER 81 Ca -0.05 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1df3 s SER 81 Cb -0.19 -1.88 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1df3 s SER 81 CO -0.02 0.12 -0.01 0.54 1.20 0.00 0.00 173.24 175.07 1df3 s VAL 82 N 0.67 0.24 -0.85 4.45 0.11 -0.97 -3.01 120.40 121.04 1df3 s VAL 82 Ca 0.01 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.88 1df3 s VAL 82 Cb -0.14 -0.29 0.13 0.00 -1.53 0.00 0.00 36.38 34.55 1df3 s VAL 82 CO 0.02 0.14 1.04 -0.89 -3.33 0.00 0.00 175.10 172.08 1df3 s THR 83 N 0.73 4.73 -0.39 5.04 2.01 -1.26 -1.22 115.64 125.28 1df3 s THR 83 Ca -0.08 -1.40 0.02 0.00 0.31 0.00 0.00 61.69 60.54 1df3 s THR 83 Cb -0.11 -4.72 0.12 0.00 0.01 0.00 0.00 72.50 67.80 1df3 s THR 83 CO -0.01 -1.43 0.17 -0.47 -0.69 0.00 0.00 174.62 172.18 1df3 s TYR 84 N 2.72 2.39 -0.87 4.92 5.04 -1.26 -4.91 117.35 125.39 1df3 s TYR 84 Ca 0.28 -2.44 -0.05 0.00 -2.44 0.00 0.00 57.07 52.43 1df3 s TYR 84 Cb -0.09 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 1df3 s TYR 84 CO -0.05 -0.84 0.72 -0.25 -1.34 0.00 0.00 175.55 173.80 1df3 n ASP 85 N 3.99 -6.56 0.00 4.32 8.00 -1.26 -4.81 116.55 120.22 1df3 n ASP 85 Ca 0.04 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1df3 n ASP 85 Cb 0.38 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 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 -1.66 1.91 3.40 0.44 0.00 -1.26 -4.90 105.19 103.12 1df3 n GLY 86 Ca -0.10 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 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 2.95 -0.74 1.61 5.36 -0.78 -4.42 117.98 119.14 1df3 s PHE 87 Ca 0.00 -0.80 -0.20 0.00 -0.96 0.00 0.00 56.93 54.97 1df3 s PHE 87 Cb 0.00 -3.98 0.10 0.00 -0.34 0.00 0.00 43.02 38.80 1df3 s PHE 87 CO 0.00 -1.31 0.96 -0.80 -1.46 0.00 0.00 175.22 172.61 1df3 s ASN 88 N 3.46 6.33 -0.63 6.13 0.01 -0.36 -1.79 114.94 128.09 1df3 s ASN 88 Ca 0.14 -1.46 -0.17 0.00 -0.71 0.00 0.00 52.86 50.67 1df3 s ASN 88 Cb -0.22 -2.39 0.13 0.00 0.41 0.00 0.00 41.25 39.19 1df3 s ASN 88 CO 0.08 -1.24 0.66 0.42 -1.51 0.00 0.00 177.10 175.51 1df3 s THR 89 N 3.27 5.09 -0.06 1.60 -4.23 -0.63 -2.28 115.64 118.40 1df3 s THR 89 Ca 0.23 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1df3 s THR 89 Cb -0.14 -4.45 -0.03 0.00 1.34 0.00 0.00 72.50 69.22 1df3 s THR 89 CO 0.03 -1.04 0.02 0.72 -0.54 0.00 0.00 174.62 173.81 1df3 s PHE 90 N 1.85 3.19 0.10 3.99 -0.12 -1.01 -2.19 117.98 123.79 1df3 s PHE 90 Ca 0.11 0.19 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 1df3 s PHE 90 Cb -0.23 -1.77 -0.03 0.00 -0.63 0.00 0.00 43.02 40.36 1df3 s PHE 90 CO 0.02 0.50 -0.18 0.95 -0.05 0.00 0.00 175.22 176.45 1df3 s THR 91 N -0.98 1.52 -0.56 -4.49 -4.23 -1.04 -2.22 115.64 103.64 1df3 s THR 91 Ca 0.16 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 1df3 s THR 91 Cb -0.11 -1.43 0.14 0.00 1.34 0.00 0.00 72.50 72.44 1df3 s THR 91 CO 0.06 -0.14 0.44 -0.63 -0.54 0.00 0.00 174.62 173.80 1df3 s ILE 92 N -1.30 4.40 0.10 2.99 1.01 -1.26 -1.90 121.20 125.23 1df3 s ILE 92 Ca 0.05 -2.07 -0.17 0.00 0.00 0.00 0.00 60.65 58.45 1df3 s ILE 92 Cb -0.09 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1df3 s ILE 92 CO 0.04 -0.84 1.54 1.55 0.00 0.00 0.00 174.94 177.23 1df3 h PRO 93 N 8.14 0.52 -3.71 2.79 0.13 -1.82 -2.17 132.00 135.87 1df3 h PRO 93 Ca -0.13 -0.16 -0.43 0.00 -0.87 0.00 0.00 66.00 64.40 1df3 h PRO 93 Cb 1.05 -0.05 -0.38 0.00 0.13 0.00 0.00 31.00 31.75 1df3 h PRO 93 CO 0.83 0.66 -0.77 0.15 -0.23 0.00 0.00 178.00 178.64 1df3 s LYS 94 N -5.02 0.59 -0.06 0.86 1.02 -1.24 -3.54 119.74 112.35 1df3 s LYS 94 Ca -0.13 0.10 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1df3 s LYS 94 Cb 0.08 -0.93 0.03 0.00 -0.52 0.00 0.00 37.83 36.48 1df3 s LYS 94 CO 0.76 -0.28 -0.02 -0.08 -0.92 0.00 0.00 175.35 174.81 1df3 s THR 95 N 1.88 0.43 -0.22 2.17 -1.32 -0.93 -1.43 115.64 116.22 1df3 s THR 95 Ca 0.04 0.02 0.19 0.00 -1.21 0.00 0.00 61.69 60.73 1df3 s THR 95 Cb -0.12 -0.53 0.05 0.00 -1.51 0.00 0.00 72.50 70.39 1df3 s THR 95 CO -0.05 0.24 1.21 -0.78 -2.21 0.00 0.00 174.62 173.03 1df3 h ASP 96 N 7.80 0.00 -6.21 8.08 1.82 -1.47 -1.58 116.42 124.86 1df3 h ASP 96 Ca -0.29 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 55.90 1df3 h ASP 96 Cb 1.14 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.15 1df3 h ASP 96 CO 0.36 0.29 -0.80 0.00 -1.61 0.00 0.00 179.24 177.49 1df3 n TYR 97 N -2.97 -2.11 0.00 0.28 0.18 -1.24 -3.34 117.16 107.96 1df3 n TYR 97 Ca -0.01 0.87 0.00 0.00 1.88 0.00 0.00 57.90 60.64 1df3 n TYR 97 Cb 0.67 -4.17 0.00 0.00 -0.38 0.00 0.00 39.34 35.46 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 -2.94 0.00 0.00 9.48 2.03 -1.26 -4.97 116.55 118.89 1df3 n ASP 98 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1df3 n ASP 98 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 0.00 0.00 -4.36 1.67 4.13 -1.26 -4.54 115.26 110.90 1df3 n ASN 99 Ca 0.00 0.02 -0.24 0.00 1.68 0.00 0.00 54.58 56.05 1df3 n ASN 99 Cb 0.00 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 37.75 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 -0.79 1.90 -0.27 3.10 -0.71 -1.26 -2.59 117.98 117.35 1df3 s PHE 100 Ca 0.00 -1.07 -0.03 0.00 -1.04 0.00 0.00 56.93 54.79 1df3 s PHE 100 Cb 0.00 -1.27 0.16 0.00 -1.21 0.00 0.00 43.02 40.70 1df3 s PHE 100 CO 0.00 -0.08 0.52 -1.17 -1.34 0.00 0.00 175.22 173.16 1df3 s LEU 101 N -3.56 -1.08 -0.37 -1.99 0.20 -0.03 -1.12 118.68 110.73 1df3 s LEU 101 Ca 0.30 0.76 -0.19 0.00 0.69 0.00 0.00 54.13 55.69 1df3 s LEU 101 Cb 0.06 1.80 0.00 0.00 -0.43 0.00 0.00 46.19 47.62 1df3 s LEU 101 CO 0.14 -0.27 0.54 -0.04 -0.29 0.00 0.00 176.35 176.43 1df3 s MET 102 N 2.75 3.50 -0.27 1.98 -1.94 -0.51 -1.71 119.30 123.09 1df3 s MET 102 Ca 0.14 -0.26 -0.03 0.00 -1.71 0.00 0.00 55.69 53.83 1df3 s MET 102 Cb -0.15 -3.85 0.03 0.00 2.01 0.00 0.00 34.83 32.87 1df3 s MET 102 CO -0.19 -0.74 -0.01 0.00 -0.01 0.00 0.00 175.02 174.07 1df3 s ALA 103 N 2.46 2.82 -0.39 3.03 0.00 -0.76 -3.35 121.76 125.57 1df3 s ALA 103 Ca 0.19 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 1df3 s ALA 103 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1df3 s ALA 103 CO 0.14 -0.97 0.53 -1.58 0.00 0.00 0.00 175.76 173.88 1df3 s HIS 104 N 1.35 3.15 -0.23 0.00 2.46 -0.80 -2.17 115.29 119.04 1df3 s HIS 104 Ca -0.01 -0.01 -0.10 0.00 0.47 0.00 0.00 55.06 55.41 1df3 s HIS 104 Cb -0.18 -3.03 -0.05 0.00 -0.13 0.00 0.00 32.58 29.20 1df3 s HIS 104 CO -0.02 -0.66 0.15 -1.17 -2.47 0.00 0.00 174.74 170.57 1df3 s LEU 105 N 2.45 4.12 -0.50 8.88 0.20 -0.53 -2.50 118.68 130.80 1df3 s LEU 105 Ca 0.18 0.13 -0.05 0.00 0.69 0.00 0.00 54.13 55.08 1df3 s LEU 105 Cb -0.15 -2.10 0.13 0.00 -0.43 0.00 0.00 46.19 43.64 1df3 s LEU 105 CO 0.15 0.09 0.33 -0.63 -0.29 0.00 0.00 176.35 176.00 1df3 s ILE 106 N 0.92 3.78 0.24 6.68 1.09 -0.93 -1.48 121.20 131.50 1df3 s ILE 106 Ca 0.08 -2.21 -0.30 0.00 -1.10 0.00 0.00 60.65 57.12 1df3 s ILE 106 Cb -0.13 -3.51 -0.09 0.00 -1.06 0.00 0.00 42.46 37.67 1df3 s ILE 106 CO 0.03 -0.78 1.03 0.21 -0.10 0.00 0.00 174.94 175.33 1df3 s ASN 107 N 1.83 7.44 -0.33 3.58 3.84 -0.70 -1.60 114.94 129.00 1df3 s ASN 107 Ca 0.10 2.09 -0.01 0.00 0.21 0.00 0.00 52.86 55.25 1df3 s ASN 107 Cb -0.23 -2.62 0.11 0.00 -0.55 0.00 0.00 41.25 37.97 1df3 s ASN 107 CO -0.03 -0.02 0.15 -1.61 -2.79 0.00 0.00 177.10 172.80 1df3 s GLU 108 N -1.15 0.57 0.17 0.43 2.02 -0.74 -2.12 118.70 117.88 1df3 s GLU 108 Ca 0.44 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1df3 s GLU 108 Cb -0.29 -1.61 0.02 0.00 0.10 0.00 0.00 34.13 32.36 1df3 s GLU 108 CO 0.36 -1.07 0.18 1.17 0.02 0.00 0.00 175.26 175.93 1df3 n LYS 109 N 4.66 1.06 -2.22 1.61 4.81 -0.90 -1.87 118.16 125.31 1df3 n LYS 109 Ca 0.01 -0.96 -0.32 0.00 -0.87 0.00 0.00 58.31 56.17 1df3 n LYS 109 Cb 0.40 0.01 -0.04 0.00 0.02 0.00 0.00 35.03 35.42 1df3 n LYS 109 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1df3 s ASP 110 N -2.01 5.60 -1.18 3.14 2.15 -1.26 -3.93 116.67 119.17 1df3 s ASP 110 Ca 0.14 -1.27 -0.00 0.00 0.43 0.00 0.00 52.55 51.84 1df3 s ASP 110 Cb -0.01 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1df3 s ASP 110 CO 0.09 -2.38 0.06 0.61 -0.17 0.00 0.00 175.17 173.37 1df3 n GLY 111 N 6.45 -0.20 2.46 2.66 0.00 -1.26 -5.02 105.19 110.29 1df3 n GLY 111 Ca 0.41 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.79 0.64 -0.20 1.61 2.12 -1.25 -5.12 118.70 111.70 1df3 s GLU 112 Ca 0.03 -1.49 -0.07 0.00 0.36 0.00 0.00 54.97 53.80 1df3 s GLU 112 Cb -0.01 -1.28 -0.03 0.00 0.26 0.00 0.00 34.13 33.07 1df3 s GLU 112 CO 0.03 -1.25 0.05 0.99 -0.54 0.00 0.00 175.26 174.54 1df3 s THR 113 N 0.85 4.43 -0.11 -1.70 2.01 -1.26 -2.12 115.64 117.74 1df3 s THR 113 Ca 0.22 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1df3 s THR 113 Cb -0.16 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.37 1df3 s THR 113 CO -0.04 0.42 0.30 0.72 -0.69 0.00 0.00 174.62 175.33 1df3 s PHE 114 N 0.86 -0.34 0.07 4.92 -0.12 -0.90 -4.94 117.98 117.53 1df3 s PHE 114 Ca 0.03 0.82 -0.15 0.00 -0.05 0.00 0.00 56.93 57.58 1df3 s PHE 114 Cb -0.14 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.30 1df3 s PHE 114 CO 0.02 -0.17 0.50 1.14 -0.05 0.00 0.00 175.22 176.66 1df3 s GLN 115 N 0.25 4.00 -0.09 1.99 -2.07 -1.26 -1.72 119.66 120.76 1df3 s GLN 115 Ca -0.01 0.51 -0.03 0.00 -1.82 0.00 0.00 55.36 54.01 1df3 s GLN 115 Cb -0.03 -3.12 0.04 0.00 -1.09 0.00 0.00 33.01 28.82 1df3 s GLN 115 CO -0.00 0.60 0.09 -1.17 -1.32 0.00 0.00 175.29 173.49 1df3 s LEU 116 N -1.42 0.17 -0.48 2.60 0.20 -0.55 -1.89 118.68 117.31 1df3 s LEU 116 Ca 0.30 -0.13 -0.17 0.00 0.69 0.00 0.00 54.13 54.83 1df3 s LEU 116 Cb -0.17 -0.10 0.07 0.00 -0.43 0.00 0.00 46.19 45.55 1df3 s LEU 116 CO 0.17 -0.29 0.47 -0.32 -0.29 0.00 0.00 176.35 176.10 1df3 s MET 117 N 2.18 3.03 -0.32 1.98 -2.45 -0.43 -1.45 119.30 121.84 1df3 s MET 117 Ca 0.04 -1.18 -0.07 0.00 -1.25 0.00 0.00 55.69 53.23 1df3 s MET 117 Cb -0.13 -4.12 0.02 0.00 1.25 0.00 0.00 34.83 31.85 1df3 s MET 117 CO -0.06 -1.09 0.11 0.20 1.05 0.00 0.00 175.02 175.24 1df3 s GLY 118 N 2.60 1.83 -0.18 2.11 0.00 -0.92 -2.53 107.32 110.24 1df3 s GLY 118 Ca 0.08 -1.59 -0.18 0.00 0.00 0.00 0.00 44.72 43.03 1df3 s GLY 118 CO 0.09 0.72 0.49 1.08 0.00 0.00 0.00 173.10 175.48 1df3 s LEU 119 N 1.48 4.18 0.03 0.66 2.01 -0.30 -1.82 118.68 124.92 1df3 s LEU 119 Ca 0.01 0.69 0.04 0.00 0.01 0.00 0.00 54.13 54.89 1df3 s LEU 119 Cb -0.18 -2.68 -0.02 0.00 0.01 0.00 0.00 46.19 43.32 1df3 s LEU 119 CO 0.03 -0.12 -0.13 -0.31 1.01 0.00 0.00 176.35 176.83 1df3 s TYR 120 N 1.33 1.16 0.05 0.29 2.02 -0.70 -0.84 117.35 120.66 1df3 s TYR 120 Ca 0.24 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1df3 s TYR 120 Cb -0.15 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1df3 s TYR 120 CO 0.10 0.02 -0.03 0.20 -1.57 0.00 0.00 175.55 174.26 1df3 s GLY 121 N -1.00 0.43 0.06 0.71 0.00 -0.67 -0.85 107.32 106.01 1df3 s GLY 121 Ca 0.01 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.46 1df3 s GLY 121 CO 0.01 -1.18 1.47 3.21 0.00 0.00 0.00 173.10 176.61 1df3 h ARG 122 N 3.49 0.35 -7.14 2.90 2.47 -1.70 -0.72 114.38 114.02 1df3 h ARG 122 Ca -0.34 -0.13 -0.50 0.00 -1.26 0.00 0.00 59.98 57.76 1df3 h ARG 122 Cb 1.16 -0.02 0.08 0.00 -1.65 0.00 0.00 29.97 29.53 1df3 h ARG 122 CO 0.60 0.59 0.40 -1.21 0.56 0.00 0.00 179.97 180.91 1df3 s GLU 123 N -4.82 3.16 0.42 0.04 2.02 -1.26 -4.74 118.70 113.52 1df3 s GLU 123 Ca -0.14 1.46 0.21 0.00 0.02 0.00 0.00 54.97 56.51 1df3 s GLU 123 Cb 0.06 -1.99 1.16 0.00 0.10 0.00 0.00 34.13 33.46 1df3 s GLU 123 CO 0.73 -0.97 1.80 -1.35 0.02 0.00 0.00 175.26 175.50 1df3 h PRO 124 N 0.67 0.33 -5.90 0.39 0.11 -1.93 -3.43 132.00 122.25 1df3 h PRO 124 Ca -0.48 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.09 1df3 h PRO 124 Cb 1.25 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.06 1df3 h PRO 124 CO 0.56 0.22 -0.82 0.16 -0.21 0.00 0.00 178.00 177.91 1df3 s ASP 125 N -5.37 2.26 0.52 -2.05 1.47 -1.26 -4.63 116.67 107.60 1df3 s ASP 125 Ca -0.08 -0.62 0.09 0.00 1.18 0.00 0.00 52.55 53.12 1df3 s ASP 125 Cb 0.24 -0.13 0.06 0.00 -0.34 0.00 0.00 42.92 42.75 1df3 s ASP 125 CO 0.79 0.05 0.71 -0.76 0.68 0.00 0.00 175.17 176.64 1df3 s LEU 126 N -1.67 3.30 0.00 2.11 1.43 -1.26 -5.01 118.68 117.58 1df3 s LEU 126 Ca 0.04 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1df3 s LEU 126 Cb -0.10 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1df3 s LEU 126 CO 0.03 -1.13 0.00 -0.24 0.23 0.00 0.00 176.35 175.24 1df3 n SER 127 N -2.10 0.00 0.00 2.29 2.88 -1.26 -5.05 113.62 110.38 1df3 n SER 127 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1df3 n SER 127 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1df3 n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1df3 n SER 128 N 0.00 0.00 -0.38 -3.46 3.41 -1.26 -4.88 113.62 107.06 1df3 n SER 128 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1df3 n SER 128 Cb 0.00 0.25 0.14 0.00 -0.26 0.00 0.00 64.21 64.33 1df3 n SER 128 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1df3 h ASP 129 N 0.00 1.11 -0.10 4.04 3.04 -1.99 -0.94 116.42 121.58 1df3 h ASP 129 Ca 0.00 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 1df3 h ASP 129 Cb 0.00 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 38.03 1df3 h ASP 129 CO 0.00 0.76 0.04 0.40 -2.04 0.00 0.00 179.24 178.40 1df3 h ILE 130 N 1.29 1.16 -0.86 4.15 2.04 -2.00 -2.31 117.51 120.99 1df3 h ILE 130 Ca 0.40 -0.49 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1df3 h ILE 130 Cb -0.02 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1df3 h ILE 130 CO -0.12 0.14 0.55 0.11 0.00 0.00 0.00 178.15 178.84 1df3 h LYS 131 N -0.01 0.75 -0.77 2.37 1.57 -1.88 -2.23 116.57 116.38 1df3 h LYS 131 Ca 0.03 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1df3 h LYS 131 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1df3 h LYS 131 CO -0.00 0.50 0.51 0.93 -0.57 0.00 0.00 179.45 180.82 1df3 h GLU 132 N 0.78 1.01 -0.33 3.15 5.08 -1.12 -1.54 114.58 121.61 1df3 h GLU 132 Ca 0.41 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1df3 h GLU 132 Cb 0.51 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1df3 h GLU 132 CO -0.17 0.67 0.07 0.00 -1.00 0.00 0.00 179.01 178.58 1df3 h ARG 133 N 1.04 0.19 -0.10 2.33 2.47 -0.95 -2.62 114.38 116.74 1df3 h ARG 133 Ca 0.28 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1df3 h ARG 133 Cb -0.12 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.09 1df3 h ARG 133 CO -0.06 0.12 -0.37 0.35 0.56 0.00 0.00 179.97 180.57 1df3 h PHE 134 N 0.19 -1.05 -0.87 3.04 3.57 -1.37 -2.23 116.94 118.23 1df3 h PHE 134 Ca 0.15 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1df3 h PHE 134 Cb 0.16 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1df3 h PHE 134 CO -0.17 -0.44 0.51 0.00 -2.23 0.00 0.00 178.31 175.97 1df3 h ALA 135 N 0.23 1.11 -0.33 2.41 0.00 -1.17 1.00 119.26 122.50 1df3 h ALA 135 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1df3 h ALA 135 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1df3 h ALA 135 CO -0.36 0.59 0.19 1.96 0.00 0.00 0.00 179.25 181.62 1df3 h GLN 136 N 1.20 0.46 -0.76 0.00 1.08 -1.54 -2.72 115.11 112.83 1df3 h GLN 136 Ca 0.31 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.52 1df3 h GLN 136 Cb -0.02 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.26 1df3 h GLN 136 CO -0.06 0.38 0.45 1.25 -0.95 0.00 0.00 178.83 179.91 1df3 h LEU 137 N 0.42 0.70 -0.06 1.46 5.85 -1.13 -2.50 115.31 120.06 1df3 h LEU 137 Ca 0.12 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1df3 h LEU 137 Cb 0.05 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1df3 h LEU 137 CO -0.02 0.45 -0.08 0.00 -0.34 0.00 0.00 178.44 178.45 1df3 h GLU 139 N -0.11 1.00 -0.77 0.00 4.81 -1.50 -0.46 114.58 117.56 1df3 h GLU 139 Ca 0.05 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1df3 h GLU 139 Cb 0.18 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1df3 h GLU 139 CO -0.12 0.66 0.51 1.49 -0.73 0.00 0.00 179.01 180.82 1df3 h GLU 140 N 1.03 1.01 -0.02 1.92 4.57 -1.33 -3.28 114.58 118.48 1df3 h GLU 140 Ca 0.32 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1df3 h GLU 140 Cb -0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 1df3 h GLU 140 CO -0.11 0.67 -0.14 0.45 -1.18 0.00 0.00 179.01 178.71 1df3 h HIS 141 N 1.04 0.18 0.00 0.92 3.86 -1.35 -3.49 115.15 116.31 1df3 h HIS 141 Ca 0.28 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1df3 h HIS 141 Cb -0.12 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1df3 h HIS 141 CO -0.02 0.79 0.00 0.41 0.86 0.00 0.00 177.93 179.97 1df3 n GLY 142 N 0.76 0.45 3.50 2.45 0.00 -0.51 -5.12 105.19 106.72 1df3 n GLY 142 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1df3 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1df3 s ILE 143 N -0.59 4.38 0.51 -0.61 1.01 -0.30 -4.88 121.20 120.71 1df3 s ILE 143 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1df3 s ILE 143 Cb 0.00 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1df3 s ILE 143 CO 0.00 0.38 1.22 -0.76 0.00 0.00 0.00 174.94 175.79 1df3 s LEU 144 N 1.18 3.90 0.46 2.97 1.43 -1.26 -4.16 118.68 123.20 1df3 s LEU 144 Ca 0.04 2.43 0.25 0.00 -1.03 0.00 0.00 54.13 55.82 1df3 s LEU 144 Cb -0.14 -4.32 1.08 0.00 0.03 0.00 0.00 46.19 42.83 1df3 s LEU 144 CO 0.03 -1.21 1.90 0.03 0.23 0.00 0.00 176.35 177.33 1df3 h ARG 145 N 1.66 0.00 -0.05 1.70 3.08 -1.99 -3.10 114.38 115.69 1df3 h ARG 145 Ca -0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1df3 h ARG 145 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1df3 h ARG 145 CO 0.58 0.20 -0.10 1.05 -1.07 0.00 0.00 179.97 180.63 1df3 h GLU 146 N 0.00 0.07 -0.00 0.04 -0.00 -2.03 -3.11 114.58 109.55 1df3 h GLU 146 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1df3 h GLU 146 Cb 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 1df3 h GLU 146 CO 0.03 0.18 -0.06 0.27 -0.00 0.00 0.00 179.01 179.42 1df3 n ASN 147 N -4.38 0.16 -4.56 3.06 0.23 -1.17 -4.84 115.26 103.77 1df3 n ASN 147 Ca -0.02 -0.18 -0.37 0.00 -0.53 0.00 0.00 54.58 53.48 1df3 n ASN 147 Cb 0.20 -0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.64 1df3 n ASN 147 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1df3 s ILE 148 N -2.63 3.71 -0.23 1.53 1.01 -1.18 -4.48 121.20 118.93 1df3 s ILE 148 Ca 0.26 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1df3 s ILE 148 Cb 0.20 -4.66 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 1df3 s ILE 148 CO 0.49 -1.57 0.58 -0.63 0.00 0.00 0.00 174.94 173.81 1df3 s ILE 149 N 6.81 5.03 -0.90 2.92 1.01 -1.25 -5.02 121.20 129.80 1df3 s ILE 149 Ca 0.53 1.05 -0.17 0.00 0.00 0.00 0.00 60.65 62.06 1df3 s ILE 149 Cb -0.04 -3.90 0.17 0.00 0.01 0.00 0.00 42.46 38.70 1df3 s ILE 149 CO -0.01 0.09 1.00 -1.81 0.00 0.00 0.00 174.94 174.21 1df3 s ASP 150 N 1.36 6.70 0.00 3.58 1.01 -1.26 -2.73 116.67 125.33 1df3 s ASP 150 Ca 0.25 -2.34 0.15 0.00 0.71 0.00 0.00 52.55 51.32 1df3 s ASP 150 Cb -0.16 -2.32 0.71 0.00 1.01 0.00 0.00 42.92 42.16 1df3 s ASP 150 CO 0.09 -0.86 1.44 0.18 0.21 0.00 0.00 175.17 176.23 1df3 n LEU 151 N 5.49 0.00 -4.15 1.23 7.99 -0.83 -4.16 117.00 122.57 1df3 n LEU 151 Ca 0.20 0.37 -0.40 0.00 -0.01 0.00 0.00 56.01 56.18 1df3 n LEU 151 Cb 0.48 -0.37 -0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1df3 n LEU 151 CO 0.44 -0.18 2.09 -0.24 -1.51 0.00 0.00 177.39 177.98 1df3 n SER 152 N -1.37 3.72 0.00 -1.43 2.88 -1.12 -2.99 113.62 113.31 1df3 n SER 152 Ca 0.06 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1df3 n SER 152 Cb 0.14 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.01 1df3 n SER 152 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1df3 n ASN 153 N 8.94 0.00 0.00 -3.46 5.15 -1.26 -5.00 115.26 119.63 1df3 n ASN 153 Ca 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1df3 n ASN 153 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 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 -3.25 5.20 0.00 -1.16 -4.92 120.51 116.38 1df3 n ALA 154 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1df3 n ALA 154 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1df3 n ALA 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1df3 n ASN 155 N -0.17 -0.85 -4.90 0.00 3.02 -1.26 -5.13 115.26 105.97 1df3 n ASN 155 Ca 0.00 -2.54 -0.30 0.00 -0.03 0.00 0.00 54.58 51.72 1df3 n ASN 155 Cb 0.00 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1df3 n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1df3 s ARG 156 N -0.05 3.62 -0.03 3.52 1.70 -1.26 -4.58 118.95 121.87 1df3 s ARG 156 Ca 0.33 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 1df3 s ARG 156 Cb 0.07 -2.77 0.03 0.00 -0.57 0.00 0.00 34.95 31.71 1df3 s ARG 156 CO -0.17 0.37 1.60 0.00 -1.08 0.00 0.00 175.30 176.02 1df3 s LEU 158 N -0.20 4.05 -0.25 0.00 0.20 -1.26 -5.08 118.68 116.13 1df3 s LEU 158 Ca 0.03 -3.13 -0.04 0.00 0.69 0.00 0.00 54.13 51.69 1df3 s LEU 158 Cb 0.03 -1.50 0.09 0.00 -0.43 0.00 0.00 46.19 44.38 1df3 s LEU 158 CO 0.00 -0.20 0.13 0.00 -0.29 0.00 0.00 176.35 175.99 1df3 s GLN 159 N -0.42 0.16 -0.83 1.98 -2.07 -1.25 -5.08 119.66 112.15 1df3 s GLN 159 Ca 0.19 -0.35 -0.10 0.00 -1.82 0.00 0.00 55.36 53.28 1df3 s GLN 159 Cb -0.20 -1.33 0.22 0.00 -1.09 0.00 0.00 33.01 30.60 1df3 s GLN 159 CO -0.04 -0.91 0.75 0.00 -1.32 0.00 0.00 175.29 173.78 1df3 s ALA 160 N 2.13 4.09 -0.18 2.60 0.00 -1.26 -5.02 121.76 124.13 1df3 s ALA 160 Ca 0.07 -3.44 -0.07 0.00 0.00 0.00 0.00 51.96 48.52 1df3 s ALA 160 Cb -0.16 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1df3 s ALA 160 CO -0.28 -2.22 0.39 0.50 0.00 0.00 0.00 175.76 174.15 1df3 s ARG 161 N -0.24 0.31 0.00 0.00 3.00 -1.26 -5.33 118.95 115.43 1df3 s ARG 161 Ca 0.21 0.94 0.31 0.00 -1.00 0.00 0.00 55.73 56.18 1df3 s ARG 161 Cb -0.12 0.20 1.59 0.00 0.00 0.00 0.00 34.95 36.62 1df3 s ARG 161 CO -0.08 -0.24 2.05 -0.85 0.00 0.00 0.00 175.30 176.18