#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da4 n SER 2 N 0.00 -3.95 -4.36 1.61 2.88 -1.26 -5.04 113.62 103.50 2da4 n SER 2 Ca 0.00 -0.31 -0.19 0.00 -1.33 0.00 0.00 58.87 57.04 2da4 n SER 2 Cb 0.00 -3.02 -0.10 0.00 -0.75 0.00 0.00 64.21 60.33 2da4 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2da4 s SER 3 N -3.29 1.78 0.00 -3.46 0.15 -1.26 -4.92 113.70 102.69 2da4 s SER 3 Ca 0.26 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.51 2da4 s SER 3 Cb -0.11 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2da4 s SER 3 CO 0.40 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2da4 n GLY 4 N -0.58 4.83 3.68 9.45 0.00 -1.26 -5.17 105.19 116.14 2da4 n GLY 4 Ca -0.01 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 2da4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da4 s SER 5 N -0.48 4.17 0.03 1.61 1.04 -1.26 -5.14 113.70 113.66 2da4 s SER 5 Ca 0.00 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.23 2da4 s SER 5 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2da4 s SER 5 CO 0.00 -0.49 0.09 -0.44 0.98 0.00 0.00 173.24 173.38 2da4 s SER 6 N -3.81 5.67 0.00 7.02 0.01 -1.26 -5.10 113.70 116.24 2da4 s SER 6 Ca 0.38 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2da4 s SER 6 Cb 0.07 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2da4 s SER 6 CO 0.20 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2da4 n GLY 7 N 0.89 2.03 3.56 3.44 0.00 -1.26 -5.08 105.19 108.77 2da4 n GLY 7 Ca -0.11 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 2da4 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2da4 s ALA 8 N -1.69 1.48 0.10 4.61 0.00 -1.26 -4.91 121.76 120.09 2da4 s ALA 8 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2da4 s ALA 8 Cb 0.00 -4.46 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 2da4 s ALA 8 CO 0.00 -4.86 -0.14 -0.48 0.00 0.00 0.00 175.76 170.29 2da4 s LEU 9 N 11.73 2.36 -0.51 0.00 0.05 -1.26 -5.11 118.68 125.95 2da4 s LEU 9 Ca 0.82 -0.75 -0.00 0.00 0.05 0.00 0.00 54.13 54.25 2da4 s LEU 9 Cb -0.12 -0.51 0.13 0.00 -2.05 0.00 0.00 46.19 43.64 2da4 s LEU 9 CO 0.13 -0.14 0.29 -1.58 -0.55 0.00 0.00 176.35 174.49 2da4 s GLN 10 N -2.40 2.13 -0.10 1.48 0.74 -1.26 -5.06 119.66 115.20 2da4 s GLN 10 Ca 0.05 -2.31 -0.10 0.00 0.05 0.00 0.00 55.36 53.05 2da4 s GLN 10 Cb -0.06 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.56 2da4 s GLN 10 CO 0.02 -1.10 0.28 -0.51 -0.55 0.00 0.00 175.29 173.44 2da4 s ASP 11 N 0.71 -0.29 -0.79 6.67 1.01 -1.26 -5.11 116.67 117.61 2da4 s ASP 11 Ca 0.14 0.53 -0.10 0.00 0.71 0.00 0.00 52.55 53.83 2da4 s ASP 11 Cb -0.22 0.56 0.21 0.00 1.01 0.00 0.00 42.92 44.48 2da4 s ASP 11 CO -0.03 -0.12 0.70 -0.13 0.21 0.00 0.00 175.17 175.79 2da4 s ARG 12 N 0.04 3.36 -0.80 8.23 0.52 -1.26 -5.01 118.95 124.03 2da4 s ARG 12 Ca -0.01 -2.56 -0.25 0.00 -0.52 0.00 0.00 55.73 52.39 2da4 s ARG 12 Cb -0.02 -4.24 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 2da4 s ARG 12 CO 0.01 -1.26 2.02 0.99 0.02 0.00 0.00 175.30 177.08 2da4 s THR 13 N -0.04 3.34 0.37 0.02 2.01 -1.26 -4.95 115.64 115.13 2da4 s THR 13 Ca 0.19 -0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 2da4 s THR 13 Cb -0.13 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 2da4 s THR 13 CO -0.08 -0.76 0.85 -1.10 -0.69 0.00 0.00 174.62 172.85 2da4 s GLN 14 N 7.36 4.15 0.04 4.92 -0.21 -1.26 -5.04 119.66 129.61 2da4 s GLN 14 Ca 0.74 0.93 -0.26 0.00 0.02 0.00 0.00 55.36 56.79 2da4 s GLN 14 Cb -0.09 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 2da4 s GLN 14 CO 0.07 0.08 0.80 -0.06 -2.12 0.00 0.00 175.29 174.06 2da4 s PHE 15 N -2.04 3.72 0.51 0.91 0.08 -1.26 -5.04 117.98 114.85 2da4 s PHE 15 Ca 0.57 1.51 -0.19 0.00 0.12 0.00 0.00 56.93 58.94 2da4 s PHE 15 Cb -0.10 -2.87 -0.07 0.00 -0.57 0.00 0.00 43.02 39.40 2da4 s PHE 15 CO 0.16 0.22 1.05 -1.12 -0.10 0.00 0.00 175.22 175.42 2da4 s SER 16 N 0.14 6.20 0.19 1.36 0.01 -1.26 -4.63 113.70 115.72 2da4 s SER 16 Ca 0.41 1.93 -0.20 0.00 1.31 0.00 0.00 55.95 59.40 2da4 s SER 16 Cb -0.21 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.61 2da4 s SER 16 CO 0.24 -0.88 1.42 0.47 0.41 0.00 0.00 173.24 174.90 2da4 n ASP 17 N -1.17 -0.71 -0.08 2.44 9.92 -1.26 0.09 116.55 125.79 2da4 n ASP 17 Ca 0.09 1.61 -0.07 0.00 -0.53 0.00 0.00 54.79 55.90 2da4 n ASP 17 Cb 0.52 -0.32 -0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2da4 n ASP 17 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2da4 h ARG 18 N 0.00 -0.16 0.77 -1.24 3.08 -2.01 -1.84 114.38 112.98 2da4 h ARG 18 Ca 0.27 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 2da4 h ARG 18 Cb 0.50 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.59 2da4 h ARG 18 CO -0.90 -0.11 -0.38 -0.44 -1.07 0.00 0.00 179.97 177.07 2da4 h ASP 19 N -0.17 -0.92 -0.83 7.04 3.32 -0.70 -3.06 116.42 121.10 2da4 h ASP 19 Ca 0.16 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.39 2da4 h ASP 19 Cb 0.42 0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.06 2da4 h ASP 19 CO -0.41 -0.64 -0.27 0.18 -1.72 0.00 0.00 179.24 176.38 2da4 n LEU 20 N -4.87 -0.42 -0.29 1.55 4.77 0.81 0.02 117.00 118.57 2da4 n LEU 20 Ca -0.13 1.45 -0.01 0.00 -0.03 0.00 0.00 56.01 57.29 2da4 n LEU 20 Cb 0.42 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2da4 n LEU 20 CO 0.31 -1.34 0.44 0.00 -1.33 0.00 0.00 177.39 175.47 2da4 n ALA 21 N -3.63 -0.09 -0.07 -1.18 0.00 -0.71 0.11 120.51 114.94 2da4 n ALA 21 Ca 0.11 0.75 -0.07 0.00 0.00 0.00 0.00 53.44 54.22 2da4 n ALA 21 Cb 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 2da4 n ALA 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2da4 h THR 22 N 0.00 0.86 0.85 0.00 2.02 -0.51 -0.68 112.91 115.45 2da4 h THR 22 Ca 0.26 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 2da4 h THR 22 Cb 0.45 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2da4 h THR 22 CO -0.74 0.03 -0.43 -0.07 0.37 0.00 0.00 175.52 174.68 2da4 h LEU 23 N 0.16 -1.03 -1.55 2.58 3.38 0.80 -2.60 115.31 117.04 2da4 h LEU 23 Ca 0.13 0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.44 2da4 h LEU 23 Cb 0.14 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2da4 h LEU 23 CO -0.18 -0.71 0.73 0.11 0.09 0.00 0.00 178.44 178.48 2da4 h LYS 24 N -1.17 0.25 -0.48 1.13 1.57 -0.66 0.64 116.57 117.87 2da4 h LYS 24 Ca -0.12 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2da4 h LYS 24 Cb 0.90 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 2da4 h LYS 24 CO 0.18 0.17 0.02 -0.22 -0.57 0.00 0.00 179.45 179.02 2da4 h LYS 25 N 0.26 0.13 -0.20 3.15 1.63 -0.72 -1.04 116.57 119.79 2da4 h LYS 25 Ca 0.60 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.27 2da4 h LYS 25 Cb 1.78 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.37 2da4 h LYS 25 CO -0.22 0.09 -0.40 1.88 -3.45 0.00 0.00 179.45 177.34 2da4 h TYR 26 N 0.14 0.54 -0.35 1.91 -1.99 -0.84 -2.82 116.97 113.57 2da4 h TYR 26 Ca 0.24 -0.15 0.10 0.00 2.00 0.00 0.00 58.73 60.92 2da4 h TYR 26 Cb 0.35 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2da4 h TYR 26 CO -0.29 0.79 0.29 2.35 -0.00 0.00 0.00 178.16 181.31 2da4 h TRP 27 N 0.38 0.00 0.00 4.88 2.91 -0.81 0.28 115.95 123.59 2da4 h TRP 27 Ca 0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2da4 h TRP 27 Cb 0.87 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 2da4 h TRP 27 CO 0.03 0.00 0.00 -3.47 -1.03 0.00 0.00 178.44 173.97 2da4 n ASP 28 N -4.12 0.15 -1.07 2.65 -0.08 -0.97 -1.25 116.55 111.86 2da4 n ASP 28 Ca 0.05 0.55 0.08 0.00 -1.51 0.00 0.00 54.79 53.97 2da4 n ASP 28 Cb 0.46 -0.58 0.28 0.00 2.34 0.00 0.00 41.12 43.63 2da4 n ASP 28 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2da4 n ASN 29 N -1.68 4.17 -0.23 1.67 4.13 0.98 -4.92 115.26 119.38 2da4 n ASN 29 Ca 0.02 -2.93 0.00 0.00 1.68 0.00 0.00 54.58 53.35 2da4 n ASN 29 Cb 0.10 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 2da4 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2da4 n GLY 30 N -0.21 0.69 1.86 7.41 0.00 -0.38 -4.93 105.19 109.63 2da4 n GLY 30 Ca 0.22 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 2da4 n GLY 30 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2da4 n MET 31 N -0.75 1.58 -1.61 1.61 1.56 -1.20 -4.26 117.12 114.06 2da4 n MET 31 Ca 0.00 -0.64 -0.22 0.00 -0.27 0.00 0.00 57.70 56.57 2da4 n MET 31 Cb 0.48 -1.66 0.07 0.00 2.15 0.00 0.00 33.22 34.26 2da4 n MET 31 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2da4 n THR 32 N 2.20 2.79 -4.03 1.12 -2.24 -1.26 -4.74 114.28 108.11 2da4 n THR 32 Ca 0.27 -3.64 -0.10 0.00 -2.27 0.00 0.00 64.05 58.31 2da4 n THR 32 Cb 0.74 -0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 67.89 2da4 n THR 32 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2da4 s SER 33 N -2.99 0.53 -0.08 3.42 0.01 -1.26 -4.83 113.70 108.49 2da4 s SER 33 Ca 0.53 -0.62 0.19 0.00 1.31 0.00 0.00 55.95 57.36 2da4 s SER 33 Cb 0.43 0.09 -0.25 0.00 0.21 0.00 0.00 66.02 66.50 2da4 s SER 33 CO 0.02 -0.32 0.39 0.18 0.41 0.00 0.00 173.24 173.91 2da4 n LEU 34 N 1.23 0.21 -4.20 2.44 4.77 -1.26 -4.61 117.00 115.57 2da4 n LEU 34 Ca -0.21 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.58 2da4 n LEU 34 Cb 0.56 0.23 0.19 0.00 -2.33 0.00 0.00 43.42 42.07 2da4 n LEU 34 CO 0.22 0.25 -0.22 0.61 -1.33 0.00 0.00 177.39 176.91 2da4 n GLY 35 N 1.50 -2.63 0.26 -0.72 0.00 -1.26 -4.37 105.19 97.97 2da4 n GLY 35 Ca -0.18 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 44.98 2da4 n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2da4 h SER 36 N -2.48 0.13 -1.27 1.61 4.64 -1.98 -0.70 113.55 113.51 2da4 h SER 36 Ca -0.44 -0.01 0.37 0.00 -0.47 0.00 0.00 61.79 61.24 2da4 h SER 36 Cb 1.18 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2da4 h SER 36 CO 0.31 0.14 0.88 -0.37 -0.87 0.00 0.00 176.83 176.92 2da4 h VAL 37 N 0.15 0.34 0.00 0.95 -1.51 -1.95 -1.93 116.25 112.30 2da4 h VAL 37 Ca 0.04 -0.04 -0.19 0.00 -1.23 0.00 0.00 66.70 65.28 2da4 h VAL 37 Cb 0.08 0.23 -0.04 0.00 -2.13 0.00 0.00 31.29 29.43 2da4 h VAL 37 CO -0.00 0.02 -1.72 0.00 -1.23 0.00 0.00 177.57 174.64 2da4 n ARG 39 N -2.57 -0.21 -0.30 0.00 0.63 -0.32 0.12 116.66 114.00 2da4 n ARG 39 Ca -0.19 1.39 0.14 0.00 -0.92 0.00 0.00 57.85 58.27 2da4 n ARG 39 Cb 0.80 -2.06 0.31 0.00 0.45 0.00 0.00 32.46 31.96 2da4 n ARG 39 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2da4 h GLU 40 N 0.00 0.23 -0.07 -0.14 5.08 -1.79 0.15 114.58 118.04 2da4 h GLU 40 Ca 0.31 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2da4 h GLU 40 Cb 0.54 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2da4 h GLU 40 CO -0.90 0.15 -0.04 0.87 -1.00 0.00 0.00 179.01 178.10 2da4 h LYS 41 N 0.24 0.14 -0.78 2.33 1.79 0.67 -3.09 116.57 117.87 2da4 h LYS 41 Ca 0.57 -0.07 0.13 0.00 -2.18 0.00 0.00 60.65 59.10 2da4 h LYS 41 Cb 1.17 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 2da4 h LYS 41 CO -0.64 0.54 0.51 0.82 -1.08 0.00 0.00 179.45 179.60 2da4 h ILE 42 N -0.25 0.86 -0.03 1.86 2.04 0.31 0.17 117.51 122.47 2da4 h ILE 42 Ca 0.01 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2da4 h ILE 42 Cb 0.50 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2da4 h ILE 42 CO 0.01 0.11 0.10 -0.33 0.00 0.00 0.00 178.15 178.03 2da4 h GLU 43 N 0.58 0.00 0.00 2.37 4.39 -0.71 -1.61 114.58 119.60 2da4 h GLU 43 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2da4 h GLU 43 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2da4 h GLU 43 CO -0.14 0.00 -0.35 0.00 -1.16 0.00 0.00 179.01 177.36 2da4 h ALA 44 N 1.84 0.00 -0.84 3.43 0.00 -0.74 -3.21 119.26 119.73 2da4 h ALA 44 Ca 0.01 -0.40 0.24 0.00 0.00 0.00 0.00 54.91 54.77 2da4 h ALA 44 Cb 0.20 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2da4 h ALA 44 CO -0.00 0.35 0.79 -0.24 0.00 0.00 0.00 179.25 180.16 2da4 h VAL 45 N -0.80 0.27 0.05 0.00 3.04 -1.38 0.36 116.25 117.80 2da4 h VAL 45 Ca 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.53 2da4 h VAL 45 Cb 0.35 0.39 0.02 0.00 -2.01 0.00 0.00 31.29 30.04 2da4 h VAL 45 CO 0.00 0.00 -0.65 0.00 -1.01 0.00 0.00 177.57 175.91 2da4 h ALA 46 N 1.20 0.01 0.00 3.17 0.00 -1.46 -2.89 119.26 119.30 2da4 h ALA 46 Ca 0.40 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2da4 h ALA 46 Cb 1.98 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 2da4 h ALA 46 CO -0.00 0.34 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 2da4 h THR 47 N -0.24 0.22 0.06 0.00 1.03 -0.46 -1.61 112.91 111.92 2da4 h THR 47 Ca -0.10 -0.92 -0.27 0.00 -0.01 0.00 0.00 66.41 65.11 2da4 h THR 47 Cb 1.41 1.77 0.02 0.00 -1.07 0.00 0.00 68.15 70.27 2da4 h THR 47 CO 0.13 0.10 -1.12 -0.08 -0.01 0.00 0.00 175.52 174.53 2da4 h GLU 48 N 0.00 0.54 -0.00 0.00 4.57 -0.66 -3.21 114.58 115.82 2da4 h GLU 48 Ca -0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 2da4 h GLU 48 Cb 0.76 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2da4 h GLU 48 CO 0.01 1.27 -0.28 1.28 -1.18 0.00 0.00 179.01 180.12 2da4 n LEU 49 N -3.76 0.61 -2.89 1.64 4.77 -1.09 -4.94 117.00 111.34 2da4 n LEU 49 Ca -0.11 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 2da4 n LEU 49 Cb 0.93 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.86 2da4 n LEU 49 CO 0.55 0.12 0.19 0.59 -1.33 0.00 0.00 177.39 177.52 2da4 n ASN 50 N -1.09 -5.40 -4.48 -1.43 3.02 -0.74 -5.02 115.26 100.12 2da4 n ASN 50 Ca 0.10 -0.42 -0.23 0.00 -0.03 0.00 0.00 54.58 54.01 2da4 n ASN 50 Cb 0.33 -4.00 -0.11 0.00 -0.61 0.00 0.00 39.78 35.39 2da4 n ASN 50 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2da4 s VAL 51 N -3.25 1.42 -0.16 2.41 -7.23 -0.68 -4.98 120.40 107.92 2da4 s VAL 51 Ca 0.45 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 2da4 s VAL 51 Cb -0.20 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 2da4 s VAL 51 CO 0.56 -0.04 1.59 -0.62 -0.31 0.00 0.00 175.10 176.29 2da4 s ASP 52 N -3.53 6.52 0.29 4.85 -1.08 -1.26 -4.52 116.67 117.94 2da4 s ASP 52 Ca 0.35 1.82 -0.03 0.00 -0.52 0.00 0.00 52.55 54.17 2da4 s ASP 52 Cb 0.08 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.60 2da4 s ASP 52 CO 0.16 -1.10 1.58 0.00 0.52 0.00 0.00 175.17 176.32 2da4 h GLU 54 N 0.02 0.09 -0.86 0.00 4.81 -1.97 0.73 114.58 117.39 2da4 h GLU 54 Ca 0.52 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.90 2da4 h GLU 54 Cb 0.96 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.22 2da4 h GLU 54 CO -0.92 0.06 0.44 0.82 -0.73 0.00 0.00 179.01 178.67 2da4 h ILE 55 N 0.09 0.70 0.44 2.32 2.04 -0.37 -0.33 117.51 122.40 2da4 h ILE 55 Ca 0.65 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 66.28 2da4 h ILE 55 Cb 1.46 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2da4 h ILE 55 CO -0.79 0.11 -0.21 0.58 0.00 0.00 0.00 178.15 177.84 2da4 h VAL 56 N 0.60 0.26 -0.86 1.67 2.07 0.38 -1.86 116.25 118.51 2da4 h VAL 56 Ca 0.48 -0.59 0.22 0.00 0.82 0.00 0.00 66.70 67.63 2da4 h VAL 56 Cb 0.70 0.40 -0.14 0.00 -1.52 0.00 0.00 31.29 30.73 2da4 h VAL 56 CO -0.38 0.05 0.19 0.03 0.02 0.00 0.00 177.57 177.48 2da4 h ARG 57 N -1.06 0.18 -0.26 1.57 3.08 -1.06 0.52 114.38 117.34 2da4 h ARG 57 Ca -0.06 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2da4 h ARG 57 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2da4 h ARG 57 CO 0.10 0.12 -0.30 1.15 -1.07 0.00 0.00 179.97 179.97 2da4 h THR 58 N 0.19 1.28 -0.73 2.04 2.02 -1.10 -2.98 112.91 113.62 2da4 h THR 58 Ca 0.53 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 2da4 h THR 58 Cb 1.04 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 2da4 h THR 58 CO -0.66 0.44 0.22 -0.25 0.37 0.00 0.00 175.52 175.63 2da4 h TRP 59 N 0.47 1.19 0.79 3.16 7.01 0.83 -2.37 115.95 127.03 2da4 h TRP 59 Ca 0.06 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 2da4 h TRP 59 Cb 0.76 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 2da4 h TRP 59 CO 0.03 0.95 -0.49 0.82 -2.79 0.00 0.00 178.44 176.95 2da4 h ILE 60 N 1.10 0.00 -0.90 2.65 2.04 -0.93 -1.89 117.51 119.58 2da4 h ILE 60 Ca 0.24 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.23 2da4 h ILE 60 Cb 0.32 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.32 2da4 h ILE 60 CO -0.01 0.00 0.51 1.23 0.00 0.00 0.00 178.15 179.89 2da4 h GLY 61 N -1.20 1.48 0.63 5.37 0.00 -1.54 -2.41 103.07 105.39 2da4 h GLY 61 Ca -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2da4 h GLY 61 CO 0.10 0.04 -0.45 3.43 0.00 0.00 0.00 176.54 179.66 2da4 h ASN 62 N 0.77 -1.21 -0.12 0.19 -0.26 -1.20 -2.68 115.58 111.06 2da4 h ASN 62 Ca 0.47 0.09 0.03 0.00 -0.56 0.00 0.00 56.30 56.33 2da4 h ASN 62 Cb 0.58 0.39 -0.05 0.00 -1.06 0.00 0.00 38.32 38.18 2da4 h ASN 62 CO -0.32 -0.63 -0.45 -0.09 -1.06 0.00 0.00 177.43 174.88 2da4 h ARG 63 N -0.96 -0.46 -0.75 0.81 2.43 -0.95 0.13 114.38 114.63 2da4 h ARG 63 Ca -0.06 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2da4 h ARG 63 Cb 0.83 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.39 2da4 h ARG 63 CO -0.02 -0.31 -0.44 0.54 -1.51 0.00 0.00 179.97 178.23 2da4 n ARG 64 N -4.94 -0.33 0.27 0.20 1.74 -0.94 -0.91 116.66 111.75 2da4 n ARG 64 Ca -0.05 1.24 -0.16 0.00 -0.77 0.00 0.00 57.85 58.11 2da4 n ARG 64 Cb 0.31 -1.82 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 2da4 n ARG 64 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2da4 h ARG 65 N 0.00 -0.73 -0.72 5.56 2.43 -1.10 -2.87 114.38 116.95 2da4 h ARG 65 Ca 0.12 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2da4 h ARG 65 Cb 0.31 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 2da4 h ARG 65 CO -0.71 -0.49 -0.37 1.63 -1.51 0.00 0.00 179.97 178.52 2da4 n LYS 66 N -5.45 -0.26 -0.00 0.20 4.76 0.41 0.65 118.16 118.47 2da4 n LYS 66 Ca -0.11 1.10 -0.09 0.00 -2.87 0.00 0.00 58.31 56.33 2da4 n LYS 66 Cb 0.35 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2da4 n LYS 66 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2da4 h TYR 67 N 0.00 -0.47 -0.52 2.13 -1.99 -1.16 -2.15 116.97 112.81 2da4 h TYR 67 Ca 0.17 0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.01 2da4 h TYR 67 Cb 0.35 0.23 -0.07 0.00 2.00 0.00 0.00 36.73 39.23 2da4 h TYR 67 CO -0.70 -0.26 0.10 -0.09 -0.00 0.00 0.00 178.16 177.21 2da4 h ARG 68 N -0.23 0.23 -1.00 4.88 1.12 0.17 -0.53 114.38 119.02 2da4 h ARG 68 Ca 0.10 -0.01 0.20 0.00 -1.11 0.00 0.00 59.98 59.15 2da4 h ARG 68 Cb 0.37 -0.05 -0.11 0.00 -0.01 0.00 0.00 29.97 30.17 2da4 h ARG 68 CO -0.27 0.15 0.61 -0.07 -3.11 0.00 0.00 179.97 177.28 2da4 h LEU 69 N 0.23 0.77 -0.71 3.80 3.38 -0.06 0.42 115.31 123.15 2da4 h LEU 69 Ca 0.26 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 2da4 h LEU 69 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2da4 h LEU 69 CO -0.35 0.25 -0.39 -0.03 0.09 0.00 0.00 178.44 178.02 2da4 h MET 70 N 0.74 0.00 0.00 1.13 4.05 -0.76 -3.47 114.93 116.63 2da4 h MET 70 Ca 0.59 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.01 2da4 h MET 70 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2da4 h MET 70 CO -0.39 0.39 0.00 0.41 0.23 0.00 0.00 176.91 177.55 2da4 n GLY 71 N 0.49 2.33 3.56 1.39 0.00 0.15 -5.07 105.19 108.03 2da4 n GLY 71 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2da4 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2da4 s ILE 72 N -0.01 3.67 -0.06 -0.61 1.01 -0.79 -4.83 121.20 119.58 2da4 s ILE 72 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 2da4 s ILE 72 Cb 0.00 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2da4 s ILE 72 CO 0.00 -1.46 1.28 -1.83 0.00 0.00 0.00 174.94 172.93 2da4 s GLU 73 N 6.03 4.31 -0.00 2.79 4.04 -1.26 -1.17 118.70 133.43 2da4 s GLU 73 Ca 0.56 1.77 0.02 0.00 0.04 0.00 0.00 54.97 57.36 2da4 s GLU 73 Cb -0.05 -3.61 -0.01 0.00 0.02 0.00 0.00 34.13 30.49 2da4 s GLU 73 CO -0.01 -0.54 -0.06 0.54 -1.84 0.00 0.00 175.26 173.35 2da4 s VAL 74 N 2.54 0.47 0.10 1.83 0.11 -1.26 -4.96 120.40 119.23 2da4 s VAL 74 Ca 0.58 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2da4 s VAL 74 Cb -0.26 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2da4 s VAL 74 CO 0.22 0.12 0.00 -1.54 -3.33 0.00 0.00 175.10 170.58 2da4 n SER 75 N 2.90 0.43 -0.14 3.54 3.41 -1.26 -4.84 113.62 117.66 2da4 n SER 75 Ca -0.13 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2da4 n SER 75 Cb 0.58 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2da4 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da4 n GLY 76 N 2.71 4.33 0.00 5.00 0.00 -1.26 -4.86 105.19 111.11 2da4 n GLY 76 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.84 2da4 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2da4 n PRO 77 N 0.00 0.49 -4.48 1.61 -0.04 -1.26 -4.67 135.00 126.65 2da4 n PRO 77 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2da4 n PRO 77 Cb 0.00 -1.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 2da4 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2da4 s SER 78 N -1.91 4.85 0.37 3.54 1.04 -1.26 -5.12 113.70 115.20 2da4 s SER 78 Ca 0.19 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.68 2da4 s SER 78 Cb 0.09 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 2da4 s SER 78 CO 0.15 0.29 0.32 -0.94 0.98 0.00 0.00 173.24 174.04 2da4 s SER 79 N -0.38 5.18 0.00 7.02 1.04 -1.26 -4.75 113.70 120.55 2da4 s SER 79 Ca 0.06 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2da4 s SER 79 Cb -0.12 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2da4 s SER 79 CO 0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.39