#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da4 s SER 2 N 0.00 2.82 -0.63 1.61 0.01 -1.26 -5.09 113.70 111.15 2da4 s SER 2 Ca 0.00 -1.02 -0.26 0.00 1.31 0.00 0.00 55.95 55.98 2da4 s SER 2 Cb 0.00 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.09 2da4 s SER 2 CO 0.00 -0.12 1.12 -0.44 0.41 0.00 0.00 173.24 174.21 2da4 s SER 3 N -3.36 6.30 0.30 2.44 0.01 -1.26 -5.00 113.70 113.13 2da4 s SER 3 Ca 0.24 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2da4 s SER 3 Cb -0.02 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 2da4 s SER 3 CO 0.09 -1.52 1.34 -0.83 0.41 0.00 0.00 173.24 172.73 2da4 s GLY 4 N 3.26 2.81 -0.20 3.44 0.00 -1.26 -4.96 107.32 110.40 2da4 s GLY 4 Ca 0.34 1.27 -0.16 0.00 0.00 0.00 0.00 44.72 46.17 2da4 s GLY 4 CO 0.19 2.01 -0.07 -1.26 0.00 0.00 0.00 173.10 173.97 2da4 n SER 5 N 1.28 1.87 -0.06 1.64 2.88 -1.26 -4.55 113.62 115.43 2da4 n SER 5 Ca 0.02 0.46 -0.14 0.00 -1.33 0.00 0.00 58.87 57.87 2da4 n SER 5 Cb 0.41 -0.89 -0.07 0.00 -0.75 0.00 0.00 64.21 62.92 2da4 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2da4 h SER 6 N -1.00 0.59 0.00 -3.46 0.87 -2.05 -3.48 113.55 105.02 2da4 h SER 6 Ca -0.28 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2da4 h SER 6 Cb 1.10 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2da4 h SER 6 CO -0.17 1.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.76 2da4 n GLY 7 N 0.40 3.29 3.84 5.77 0.00 -1.26 -5.15 105.19 112.07 2da4 n GLY 7 Ca -0.06 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.19 3.38 0.14 4.61 0.00 -1.26 -4.93 121.76 122.50 2da4 s ALA 8 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.05 2da4 s ALA 8 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2da4 s ALA 8 CO 0.00 0.35 -0.12 -0.51 0.00 0.00 0.00 175.76 175.48 2da4 s LEU 9 N -2.65 2.48 -0.29 0.00 1.02 -1.26 -5.15 118.68 112.82 2da4 s LEU 9 Ca 0.50 -0.93 -0.19 0.00 0.02 0.00 0.00 54.13 53.53 2da4 s LEU 9 Cb -0.12 -0.45 0.18 0.00 0.02 0.00 0.00 46.19 45.81 2da4 s LEU 9 CO 0.19 -0.24 1.19 -1.58 0.02 0.00 0.00 176.35 175.93 2da4 s GLN 10 N -3.28 0.20 -0.62 1.70 0.74 -1.26 -5.12 119.66 112.03 2da4 s GLN 10 Ca 0.14 0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.68 2da4 s GLN 10 Cb -0.01 0.06 0.13 0.00 1.10 0.00 0.00 33.01 34.29 2da4 s GLN 10 CO 0.02 -0.04 0.67 0.34 -0.55 0.00 0.00 175.29 175.73 2da4 s ASP 11 N 0.81 6.27 -0.56 6.67 2.15 -1.26 -5.01 116.67 125.74 2da4 s ASP 11 Ca -0.04 -1.71 -0.18 0.00 0.43 0.00 0.00 52.55 51.05 2da4 s ASP 11 Cb -0.04 -2.27 0.10 0.00 -0.30 0.00 0.00 42.92 40.41 2da4 s ASP 11 CO -0.12 -0.98 0.62 -0.13 -0.17 0.00 0.00 175.17 174.39 2da4 s ARG 12 N 2.08 3.04 -0.01 4.34 3.00 -1.26 -5.03 118.95 125.11 2da4 s ARG 12 Ca 0.10 -1.33 0.02 0.00 0.00 0.00 0.00 55.73 54.52 2da4 s ARG 12 Cb -0.24 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.48 2da4 s ARG 12 CO 0.03 -1.40 -0.06 0.95 0.00 0.00 0.00 175.30 174.83 2da4 s THR 13 N 2.36 0.49 0.18 0.02 -4.23 -1.26 -5.16 115.64 108.04 2da4 s THR 13 Ca 0.10 -0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2da4 s THR 13 Cb -0.25 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 2da4 s THR 13 CO 0.07 0.16 -0.06 0.00 -0.54 0.00 0.00 174.62 174.24 2da4 s GLN 14 N 0.12 2.17 -0.08 3.99 -2.07 -1.26 -5.13 119.66 117.40 2da4 s GLN 14 Ca -0.01 -1.22 0.02 0.00 -1.82 0.00 0.00 55.36 52.33 2da4 s GLN 14 Cb -0.05 -2.22 -0.02 0.00 -1.09 0.00 0.00 33.01 29.63 2da4 s GLN 14 CO -0.00 0.44 -0.14 -0.06 -1.32 0.00 0.00 175.29 174.21 2da4 s PHE 15 N -1.73 2.75 0.15 9.60 0.08 -1.26 -5.12 117.98 122.45 2da4 s PHE 15 Ca 0.26 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 2da4 s PHE 15 Cb -0.09 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2da4 s PHE 15 CO 0.16 0.06 0.42 0.45 -0.10 0.00 0.00 175.22 176.20 2da4 s SER 16 N -0.37 6.54 0.31 1.36 0.15 -1.26 -4.86 113.70 115.56 2da4 s SER 16 Ca 0.04 0.68 0.03 0.00 0.70 0.00 0.00 55.95 57.40 2da4 s SER 16 Cb -0.12 -2.13 0.78 0.00 -1.71 0.00 0.00 66.02 62.84 2da4 s SER 16 CO 0.02 0.04 1.53 -0.90 1.20 0.00 0.00 173.24 175.13 2da4 n ASP 17 N 0.15 -0.09 -0.12 5.45 5.75 -1.26 0.90 116.55 127.33 2da4 n ASP 17 Ca -0.02 1.65 -0.05 0.00 -0.01 0.00 0.00 54.79 56.35 2da4 n ASP 17 Cb 0.52 -0.61 0.03 0.00 -1.03 0.00 0.00 41.12 40.02 2da4 n ASP 17 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2da4 h ARG 18 N 0.00 0.25 0.54 0.11 0.11 -2.01 -2.42 114.38 110.96 2da4 h ARG 18 Ca 0.61 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.64 2da4 h ARG 18 Cb 1.28 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.31 2da4 h ARG 18 CO -0.91 0.17 -0.26 -0.44 0.10 0.00 0.00 179.97 178.63 2da4 h ASP 19 N 0.26 -0.61 -0.78 0.08 5.19 0.14 -3.11 116.42 117.58 2da4 h ASP 19 Ca 0.18 0.02 0.23 0.00 -0.62 0.00 0.00 57.03 56.85 2da4 h ASP 19 Cb 0.18 0.16 -0.14 0.00 0.18 0.00 0.00 39.33 39.70 2da4 h ASP 19 CO -0.20 -0.38 0.08 0.18 -3.12 0.00 0.00 179.24 175.80 2da4 n LEU 20 N -4.23 -0.03 -0.33 1.55 4.77 -0.38 0.72 117.00 119.06 2da4 n LEU 20 Ca -0.09 1.32 0.09 0.00 -0.03 0.00 0.00 56.01 57.30 2da4 n LEU 20 Cb 0.28 -0.51 0.19 0.00 -2.33 0.00 0.00 43.42 41.06 2da4 n LEU 20 CO 0.22 -1.36 0.67 0.00 -1.33 0.00 0.00 177.39 175.59 2da4 n ALA 21 N -3.13 0.33 0.45 -1.18 0.00 -0.92 -0.02 120.51 116.03 2da4 n ALA 21 Ca 0.20 1.02 -0.19 0.00 0.00 0.00 0.00 53.44 54.47 2da4 n ALA 21 Cb 0.67 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.14 0.43 0.00 2.02 0.17 -1.62 112.91 114.04 2da4 h THR 22 Ca 0.50 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.67 2da4 h THR 22 Cb 0.89 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2da4 h THR 22 CO -0.93 0.00 -0.41 -0.07 0.37 0.00 0.00 175.52 174.48 2da4 h LEU 23 N -1.15 -1.11 -1.20 2.58 3.38 -0.91 -2.07 115.31 114.84 2da4 h LEU 23 Ca -0.11 0.09 0.38 0.00 0.09 0.00 0.00 57.88 58.33 2da4 h LEU 23 Cb 0.89 0.36 -0.14 0.00 0.09 0.00 0.00 40.66 41.86 2da4 h LEU 23 CO 0.17 -0.54 0.69 0.11 0.09 0.00 0.00 178.44 178.95 2da4 h LYS 24 N -0.83 0.16 -0.31 1.13 1.57 -0.49 0.29 116.57 118.09 2da4 h LYS 24 Ca -0.05 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2da4 h LYS 24 Cb 0.71 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 2da4 h LYS 24 CO -0.04 0.11 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.56 2da4 h LYS 25 N 0.17 -0.12 -0.22 3.15 1.63 -0.55 -0.76 116.57 119.87 2da4 h LYS 25 Ca 0.78 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.52 2da4 h LYS 25 Cb 2.15 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.79 2da4 h LYS 25 CO -0.54 -0.08 -0.17 1.88 -3.45 0.00 0.00 179.45 177.09 2da4 h TYR 26 N -0.13 0.41 -0.56 1.91 0.05 -0.39 -2.53 116.97 115.72 2da4 h TYR 26 Ca 0.16 -0.06 0.15 0.00 0.05 0.00 0.00 58.73 59.03 2da4 h TYR 26 Cb 0.38 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 2da4 h TYR 26 CO -0.37 0.53 0.40 2.35 -1.05 0.00 0.00 178.16 180.02 2da4 h TRP 27 N 0.35 0.11 0.00 4.88 2.91 -0.61 0.30 115.95 123.89 2da4 h TRP 27 Ca 0.06 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2da4 h TRP 27 Cb 0.50 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2da4 h TRP 27 CO 0.01 0.04 0.00 0.22 -1.03 0.00 0.00 178.44 177.69 2da4 h ASP 28 N 0.09 0.00 -0.61 2.65 1.82 -1.13 -0.64 116.42 118.61 2da4 h ASP 28 Ca 0.27 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.69 2da4 h ASP 28 Cb 0.94 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.82 2da4 h ASP 28 CO -0.03 0.00 0.20 -3.20 -1.61 0.00 0.00 179.24 174.61 2da4 n ASN 29 N -2.45 3.96 -1.77 2.28 5.15 0.11 -4.91 115.26 117.63 2da4 n ASN 29 Ca -0.01 -3.38 -0.10 0.00 -0.60 0.00 0.00 54.58 50.49 2da4 n ASN 29 Cb 0.09 -0.70 0.03 0.00 -0.53 0.00 0.00 39.78 38.67 2da4 n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2da4 n GLY 30 N -0.60 0.29 1.86 8.20 0.00 -0.25 -4.90 105.19 109.80 2da4 n GLY 30 Ca 0.39 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.40 1.48 -0.05 1.61 1.56 -1.19 -3.99 117.12 114.13 2da4 n MET 31 Ca -0.00 -0.57 -0.18 0.00 -0.27 0.00 0.00 57.70 56.68 2da4 n MET 31 Cb 0.53 -1.62 -0.13 0.00 2.15 0.00 0.00 33.22 34.15 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 2.17 1.63 -1.40 1.12 -2.24 -1.26 -4.78 114.28 109.52 2da4 n THR 32 Ca 0.25 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 61.04 2da4 n THR 32 Cb 0.69 -1.45 0.09 0.00 -2.10 0.00 0.00 70.33 67.57 2da4 n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2da4 s SER 33 N -6.63 4.33 -0.16 3.42 0.15 -1.26 -4.70 113.70 108.86 2da4 s SER 33 Ca -0.24 2.15 0.07 0.00 0.70 0.00 0.00 55.95 58.64 2da4 s SER 33 Cb 0.08 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.67 2da4 s SER 33 CO 0.72 -2.16 -0.05 0.18 1.20 0.00 0.00 173.24 173.13 2da4 n LEU 34 N -2.95 1.38 -4.05 3.45 4.77 -1.26 -4.58 117.00 113.76 2da4 n LEU 34 Ca 0.12 -0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 2da4 n LEU 34 Cb 0.51 -0.10 0.15 0.00 -2.33 0.00 0.00 43.42 41.65 2da4 n LEU 34 CO 0.49 0.56 -0.08 0.61 -1.33 0.00 0.00 177.39 177.63 2da4 n GLY 35 N 2.37 -2.52 0.31 -0.72 0.00 -1.26 -3.76 105.19 99.62 2da4 n GLY 35 Ca -0.27 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.05 2da4 n GLY 35 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2da4 h SER 36 N -2.60 0.43 -0.95 1.61 0.02 -1.96 0.19 113.55 110.28 2da4 h SER 36 Ca -0.28 0.13 0.36 0.00 -0.84 0.00 0.00 61.79 61.16 2da4 h SER 36 Cb 0.85 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.34 2da4 h SER 36 CO 0.18 0.09 0.57 1.33 -1.14 0.00 0.00 176.83 177.86 2da4 n VAL 37 N -4.97 -0.28 -0.06 2.27 0.24 -1.26 -0.96 118.33 113.31 2da4 n VAL 37 Ca 0.21 1.56 -0.08 0.00 -2.04 0.00 0.00 64.34 63.99 2da4 n VAL 37 Cb 0.58 -2.54 -0.07 0.00 -1.47 0.00 0.00 33.84 30.33 2da4 n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2da4 n ARG 39 N -2.68 -0.07 -0.28 0.00 0.63 0.50 0.13 116.66 114.89 2da4 n ARG 39 Ca -0.21 1.27 0.10 0.00 -0.92 0.00 0.00 57.85 58.09 2da4 n ARG 39 Cb 0.79 -2.06 0.24 0.00 0.45 0.00 0.00 32.46 31.88 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 0.18 -0.07 -0.14 5.08 -1.71 0.32 114.58 118.24 2da4 h GLU 40 Ca 0.56 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.67 2da4 h GLU 40 Cb 1.22 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.44 2da4 h GLU 40 CO -0.78 0.12 -0.90 0.87 -1.00 0.00 0.00 179.01 177.31 2da4 h LYS 41 N 0.18 0.69 -0.71 2.33 1.79 0.80 -3.22 116.57 118.43 2da4 h LYS 41 Ca 0.50 -0.65 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2da4 h LYS 41 Cb 0.96 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 31.73 2da4 h LYS 41 CO -0.65 1.25 0.47 0.82 -1.08 0.00 0.00 179.45 180.27 2da4 h ILE 42 N 0.43 1.16 -0.18 1.86 2.04 -0.05 -0.96 117.51 121.81 2da4 h ILE 42 Ca -0.09 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2da4 h ILE 42 Cb 1.54 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2da4 h ILE 42 CO 0.18 0.17 0.21 -0.33 0.00 0.00 0.00 178.15 178.38 2da4 h GLU 43 N 0.94 0.00 0.00 2.37 5.08 -0.51 -1.40 114.58 121.06 2da4 h GLU 43 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2da4 h GLU 43 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2da4 h GLU 43 CO -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.79 2da4 h ALA 44 N 1.75 0.00 -0.56 3.43 0.00 -1.30 -3.15 119.26 119.42 2da4 h ALA 44 Ca 0.08 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.96 2da4 h ALA 44 Cb 0.50 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2da4 h ALA 44 CO -0.00 0.16 0.74 -0.24 0.00 0.00 0.00 179.25 179.90 2da4 h VAL 45 N -0.67 0.17 0.11 0.00 3.04 -1.36 0.46 116.25 118.01 2da4 h VAL 45 Ca 0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 2da4 h VAL 45 Cb 0.16 0.38 0.02 0.00 -2.01 0.00 0.00 31.29 29.84 2da4 h VAL 45 CO 0.00 0.00 -0.90 0.00 -1.01 0.00 0.00 177.57 175.66 2da4 h ALA 46 N 1.05 -0.05 0.00 3.17 0.00 -1.39 -2.78 119.26 119.26 2da4 h ALA 46 Ca 0.26 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2da4 h ALA 46 Cb 1.74 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2da4 h ALA 46 CO -0.00 0.45 -0.18 0.00 0.00 0.00 0.00 179.25 179.52 2da4 h THR 47 N -0.15 0.37 0.12 0.00 1.03 -0.18 -0.69 112.91 113.41 2da4 h THR 47 Ca -0.14 -1.19 -0.28 0.00 -0.01 0.00 0.00 66.41 64.79 2da4 h THR 47 Cb 1.66 1.91 0.03 0.00 -1.07 0.00 0.00 68.15 70.67 2da4 h THR 47 CO 0.17 0.17 -1.17 -0.08 -0.01 0.00 0.00 175.52 174.61 2da4 h GLU 48 N 0.00 0.57 -0.01 0.00 4.57 -0.85 -3.24 114.58 115.63 2da4 h GLU 48 Ca -0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 2da4 h GLU 48 Cb 0.89 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2da4 h GLU 48 CO 0.02 1.35 -0.16 1.28 -1.18 0.00 0.00 179.01 180.32 2da4 n LEU 49 N -3.86 0.73 -3.31 1.64 4.77 -1.05 -4.94 117.00 110.98 2da4 n LEU 49 Ca -0.14 -0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 2da4 n LEU 49 Cb 0.95 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.97 2da4 n LEU 49 CO 0.57 0.14 0.18 0.59 -1.33 0.00 0.00 177.39 177.53 2da4 n ASN 50 N -0.79 -4.50 -4.17 -1.43 4.13 -0.65 -5.02 115.26 102.83 2da4 n ASN 50 Ca 0.14 -0.53 -0.20 0.00 1.68 0.00 0.00 54.58 55.67 2da4 n ASN 50 Cb 0.31 -4.72 -0.13 0.00 -1.54 0.00 0.00 39.78 33.70 2da4 n ASN 50 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2da4 s VAL 51 N -3.31 1.21 0.15 2.41 -7.23 -0.36 -5.04 120.40 108.23 2da4 s VAL 51 Ca 0.33 -1.18 -0.34 0.00 -1.81 0.00 0.00 61.98 58.98 2da4 s VAL 51 Cb -0.15 -1.11 -0.14 0.00 0.56 0.00 0.00 36.38 35.54 2da4 s VAL 51 CO 0.67 -0.07 1.50 0.47 -0.31 0.00 0.00 175.10 177.36 2da4 n ASP 52 N 1.58 2.71 -0.31 4.85 9.92 -1.26 -4.50 116.55 129.55 2da4 n ASP 52 Ca -0.19 1.10 0.30 0.00 -0.53 0.00 0.00 54.79 55.46 2da4 n ASP 52 Cb 0.54 -1.37 0.54 0.00 -0.64 0.00 0.00 41.12 40.19 2da4 n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2da4 h GLU 54 N 0.00 0.11 -0.95 0.00 4.11 -1.99 -0.80 114.58 115.07 2da4 h GLU 54 Ca 0.77 -0.01 0.29 0.00 0.07 0.00 0.00 59.36 60.49 2da4 h GLU 54 Cb 2.10 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 31.16 2da4 h GLU 54 CO -0.67 0.08 0.24 0.82 0.07 0.00 0.00 179.01 179.55 2da4 h ILE 55 N 0.12 0.14 0.08 -1.06 1.08 0.63 0.12 117.51 118.62 2da4 h ILE 55 Ca 0.15 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2da4 h ILE 55 Cb 0.18 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 2da4 h ILE 55 CO -0.22 0.02 -0.04 0.58 -0.69 0.00 0.00 178.15 177.79 2da4 h VAL 56 N 0.10 0.00 -0.90 1.67 2.07 -1.41 -3.12 116.25 114.66 2da4 h VAL 56 Ca 0.64 -0.70 0.32 0.00 0.82 0.00 0.00 66.70 67.79 2da4 h VAL 56 Cb 1.42 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.03 2da4 h VAL 56 CO -0.78 0.00 0.29 0.54 0.02 0.00 0.00 177.57 177.64 2da4 n ARG 57 N -4.24 -0.06 -0.18 1.57 1.74 -0.37 0.19 116.66 115.31 2da4 n ARG 57 Ca -0.01 1.28 -0.09 0.00 -0.77 0.00 0.00 57.85 58.26 2da4 n ARG 57 Cb 0.04 -2.19 0.01 0.00 -1.02 0.00 0.00 32.46 29.30 2da4 n ARG 57 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2da4 h THR 58 N 0.00 1.26 -0.73 0.55 2.02 -0.89 -2.97 112.91 112.15 2da4 h THR 58 Ca 0.67 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2da4 h THR 58 Cb 1.64 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.88 2da4 h THR 58 CO -0.76 0.36 0.42 -0.25 0.37 0.00 0.00 175.52 175.66 2da4 h TRP 59 N 0.76 0.77 0.54 3.16 7.01 0.21 0.20 115.95 128.60 2da4 h TRP 59 Ca 0.15 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 2da4 h TRP 59 Cb 0.45 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2da4 h TRP 59 CO 0.03 0.37 -0.43 0.82 -2.79 0.00 0.00 178.44 176.44 2da4 h ILE 60 N 0.77 0.00 -0.05 2.65 2.04 -1.21 -0.15 117.51 121.55 2da4 h ILE 60 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2da4 h ILE 60 Cb 0.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2da4 h ILE 60 CO -0.19 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.23 2da4 h GLY 61 N -0.94 0.07 0.03 5.37 0.00 -1.41 -1.15 103.07 105.05 2da4 h GLY 61 Ca -0.07 -0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.34 2da4 h GLY 61 CO 0.00 0.03 -0.04 -0.57 0.00 0.00 0.00 176.54 175.96 2da4 h ASN 62 N 0.07 -0.32 -0.41 0.19 -0.73 -0.56 0.20 115.58 114.01 2da4 h ASN 62 Ca 0.02 0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 2da4 h ASN 62 Cb -0.00 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 2da4 h ASN 62 CO -0.00 -0.12 0.15 -0.09 -0.37 0.00 0.00 177.43 177.00 2da4 h ARG 63 N 0.07 0.62 -0.48 6.67 2.43 -0.82 0.19 114.38 123.07 2da4 h ARG 63 Ca 0.27 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2da4 h ARG 63 Cb 0.42 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2da4 h ARG 63 CO -0.49 0.60 0.28 0.00 -1.51 0.00 0.00 179.97 178.85 2da4 h ARG 64 N 0.52 0.54 -0.24 0.20 3.08 -0.02 -2.16 114.38 116.30 2da4 h ARG 64 Ca 0.13 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2da4 h ARG 64 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2da4 h ARG 64 CO -0.01 0.36 -0.26 0.00 -1.07 0.00 0.00 179.97 178.99 2da4 h ARG 65 N 0.56 0.60 -0.64 0.04 3.08 -0.50 -0.08 114.38 117.45 2da4 h ARG 65 Ca 0.19 -0.32 0.18 0.00 0.07 0.00 0.00 59.98 60.10 2da4 h ARG 65 Cb 0.02 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2da4 h ARG 65 CO -0.09 0.92 0.46 -0.22 -1.07 0.00 0.00 179.97 179.97 2da4 h LYS 66 N 0.31 0.01 0.00 0.04 3.11 -0.36 0.22 116.57 119.90 2da4 h LYS 66 Ca 0.04 -0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.65 2da4 h LYS 66 Cb 0.82 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.01 2da4 h LYS 66 CO 0.06 0.01 -1.24 1.88 -2.81 0.00 0.00 179.45 177.34 2da4 h TYR 67 N 0.01 0.00 -0.70 1.91 0.05 -1.24 -3.39 116.97 113.62 2da4 h TYR 67 Ca 0.30 0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.18 2da4 h TYR 67 Cb 1.20 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.87 2da4 h TYR 67 CO -0.00 1.47 0.33 -0.09 -1.05 0.00 0.00 178.16 178.82 2da4 h ARG 68 N -1.00 0.54 -0.84 4.88 2.43 -0.57 -2.27 114.38 117.55 2da4 h ARG 68 Ca -0.34 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 58.94 2da4 h ARG 68 Cb 1.29 -0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.58 2da4 h ARG 68 CO -0.21 0.36 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.20 2da4 h LEU 69 N 0.56 -1.24 -1.66 3.80 3.38 -0.77 1.35 115.31 120.73 2da4 h LEU 69 Ca 0.35 0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.56 2da4 h LEU 69 Cb 0.39 0.66 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2da4 h LEU 69 CO -0.29 -0.29 -0.15 -0.03 0.09 0.00 0.00 178.44 177.77 2da4 h MET 70 N -0.05 0.00 0.00 1.13 4.05 -1.60 -3.46 114.93 114.99 2da4 h MET 70 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 2da4 h MET 70 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2da4 h MET 70 CO -0.88 0.15 0.00 0.41 0.23 0.00 0.00 176.91 176.83 2da4 n GLY 71 N -0.40 0.77 3.46 1.39 0.00 0.46 -5.14 105.19 105.74 2da4 n GLY 71 Ca -0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.43 2.78 -0.67 -0.61 -1.09 -1.04 -4.97 121.20 115.17 2da4 s ILE 72 Ca 0.00 -1.32 -0.05 0.00 -2.23 0.00 0.00 60.65 57.05 2da4 s ILE 72 Cb 0.00 -2.21 0.17 0.00 -1.58 0.00 0.00 42.46 38.85 2da4 s ILE 72 CO 0.00 0.25 0.51 -1.61 -1.23 0.00 0.00 174.94 172.86 2da4 s GLU 73 N -1.70 2.79 0.32 2.79 2.02 -1.26 -4.08 118.70 119.59 2da4 s GLU 73 Ca 0.16 -2.54 0.10 0.00 0.02 0.00 0.00 54.97 52.71 2da4 s GLU 73 Cb -0.10 -3.88 0.93 0.00 0.10 0.00 0.00 34.13 31.18 2da4 s GLU 73 CO 0.07 -1.20 1.71 -0.39 0.02 0.00 0.00 175.26 175.47 2da4 h VAL 74 N 5.14 0.46 0.00 2.63 -1.51 -1.97 -3.11 116.25 117.89 2da4 h VAL 74 Ca 0.01 -0.17 -0.37 0.00 -1.23 0.00 0.00 66.70 64.95 2da4 h VAL 74 Cb 0.97 -0.07 -0.06 0.00 -2.13 0.00 0.00 31.29 30.00 2da4 h VAL 74 CO 0.72 0.09 -2.24 -0.24 -1.23 0.00 0.00 177.57 174.67 2da4 n SER 75 N -4.95 1.70 0.00 4.19 2.88 -1.26 -5.10 113.62 111.08 2da4 n SER 75 Ca 0.28 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2da4 n SER 75 Cb 0.81 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2da4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da4 n GLY 76 N 1.75 -0.01 0.25 0.46 0.00 -1.18 -3.92 105.19 102.54 2da4 n GLY 76 Ca -0.43 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 2da4 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da4 h PRO 77 N 0.00 0.78 -7.26 1.61 0.13 -1.99 -3.45 132.00 121.82 2da4 h PRO 77 Ca 0.00 -0.41 -0.51 0.00 -0.87 0.00 0.00 66.00 64.21 2da4 h PRO 77 Cb 0.00 0.01 0.13 0.00 0.13 0.00 0.00 31.00 31.27 2da4 h PRO 77 CO 0.00 1.04 0.34 -1.54 -0.23 0.00 0.00 178.00 177.60 2da4 s SER 78 N -6.85 4.61 0.39 1.44 1.04 -1.25 -5.06 113.70 108.01 2da4 s SER 78 Ca -0.09 1.94 0.04 0.00 0.48 0.00 0.00 55.95 58.32 2da4 s SER 78 Cb 0.12 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 2da4 s SER 78 CO 0.86 -1.97 0.05 -0.94 0.98 0.00 0.00 173.24 172.22 2da4 s SER 79 N -2.97 3.11 0.00 7.02 1.04 -1.26 -4.92 113.70 115.72 2da4 s SER 79 Ca 0.64 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2da4 s SER 79 Cb -0.19 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2da4 s SER 79 CO 0.50 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.67