#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 s SER 2 N 0.00 6.58 -0.19 1.61 0.01 -1.26 -5.08 113.70 115.36 2da6 s SER 2 Ca 0.00 0.68 -0.05 0.00 1.31 0.00 0.00 55.95 57.90 2da6 s SER 2 Cb 0.00 -2.14 0.07 0.00 0.21 0.00 0.00 66.02 64.16 2da6 s SER 2 CO 0.00 0.22 0.09 -0.44 0.41 0.00 0.00 173.24 173.52 2da6 s SER 3 N -1.69 2.56 0.00 2.44 0.01 -1.26 -5.11 113.70 110.65 2da6 s SER 3 Ca 0.30 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2da6 s SER 3 Cb -0.14 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2da6 s SER 3 CO 0.17 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2da6 n GLY 4 N 5.26 3.08 3.15 3.44 0.00 -1.26 -5.16 105.19 113.70 2da6 n GLY 4 Ca -0.07 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.60 2da6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2da6 s SER 5 N 2.00 -1.19 0.07 1.61 1.04 -1.26 -5.13 113.70 110.84 2da6 s SER 5 Ca 0.00 0.72 -0.31 0.00 0.48 0.00 0.00 55.95 56.84 2da6 s SER 5 Cb 0.00 1.99 -0.17 0.00 0.10 0.00 0.00 66.02 67.94 2da6 s SER 5 CO 0.00 -0.22 0.76 -0.24 0.98 0.00 0.00 173.24 174.52 2da6 n SER 6 N 5.44 -0.46 -3.27 7.02 2.88 -1.26 -4.95 113.62 119.02 2da6 n SER 6 Ca -0.02 1.03 0.03 0.00 -1.33 0.00 0.00 58.87 58.58 2da6 n SER 6 Cb 0.52 -0.83 -0.04 0.00 -0.75 0.00 0.00 64.21 63.10 2da6 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2da6 s GLY 7 N -0.36 0.06 -0.17 0.46 0.00 -1.26 -5.06 107.32 100.99 2da6 s GLY 7 Ca 0.72 3.38 -0.24 0.00 0.00 0.00 0.00 44.72 48.58 2da6 s GLY 7 CO 0.51 3.36 0.46 -0.09 0.00 0.00 0.00 173.10 177.33 2da6 h ARG 8 N 7.29 0.03 -5.77 2.90 9.65 -2.08 -3.42 114.38 122.98 2da6 h ARG 8 Ca -0.14 -0.05 -0.39 0.00 -1.10 0.00 0.00 59.98 58.30 2da6 h ARG 8 Cb 1.13 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.66 2da6 h ARG 8 CO 0.06 1.02 1.03 -0.80 2.80 0.00 0.00 179.97 184.09 2da6 s ASN 9 N -6.64 5.50 0.22 -3.80 -0.87 -1.26 -4.88 114.94 103.21 2da6 s ASN 9 Ca -0.24 -1.10 -0.07 0.00 -1.57 0.00 0.00 52.86 49.88 2da6 s ASN 9 Cb 0.02 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.66 2da6 s ASN 9 CO 0.65 -2.45 0.29 0.00 -2.57 0.00 0.00 177.10 173.02 2da6 s ARG 10 N 6.34 1.35 0.16 -0.60 1.04 -1.26 -5.10 118.95 120.87 2da6 s ARG 10 Ca 0.64 -1.43 -0.20 0.00 -1.04 0.00 0.00 55.73 53.70 2da6 s ARG 10 Cb -0.04 0.36 0.07 0.00 -2.04 0.00 0.00 34.95 33.31 2da6 s ARG 10 CO 0.00 -0.50 0.96 1.97 -0.04 0.00 0.00 175.30 177.69 2da6 n PHE 11 N -0.31 -1.26 -5.07 5.89 -1.74 -1.26 -5.07 117.46 108.63 2da6 n PHE 11 Ca -0.00 -1.16 -0.32 0.00 -0.56 0.00 0.00 57.45 55.41 2da6 n PHE 11 Cb 0.64 0.56 -0.16 0.00 1.52 0.00 0.00 39.48 42.04 2da6 n PHE 11 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2da6 s LYS 12 N -2.05 3.12 1.11 3.97 2.20 -1.26 -5.13 119.74 121.71 2da6 s LYS 12 Ca 0.21 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.84 2da6 s LYS 12 Cb -0.03 -2.39 0.24 0.00 -1.51 0.00 0.00 37.83 34.15 2da6 s LYS 12 CO 0.05 0.17 1.08 -1.58 -0.36 0.00 0.00 175.35 174.71 2da6 s TRP 13 N 0.39 1.36 0.33 4.03 0.52 -1.26 -4.96 118.94 119.36 2da6 s TRP 13 Ca -0.16 0.81 0.03 0.00 0.02 0.00 0.00 56.10 56.80 2da6 s TRP 13 Cb -0.17 -3.29 0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2da6 s TRP 13 CO 0.07 -3.45 0.25 0.41 0.02 0.00 0.00 176.95 174.25 2da6 n GLY 14 N -0.72 2.84 0.25 0.98 0.00 -1.26 -4.97 105.19 102.31 2da6 n GLY 14 Ca 0.08 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2da6 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 15 N 0.00 0.88 0.00 1.61 0.13 -2.00 -2.96 132.00 129.65 2da6 h PRO 15 Ca -0.21 -0.46 -0.06 0.00 -0.87 0.00 0.00 66.00 64.40 2da6 h PRO 15 Cb 0.76 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2da6 h PRO 15 CO 0.32 1.11 -0.43 0.00 -0.23 0.00 0.00 178.00 178.78 2da6 h ALA 16 N 0.76 0.07 -0.79 -0.56 0.00 -1.96 -3.33 119.26 113.44 2da6 h ALA 16 Ca 0.06 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.51 2da6 h ALA 16 Cb 0.94 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2da6 h ALA 16 CO 0.09 0.28 -0.44 0.77 0.00 0.00 0.00 179.25 179.95 2da6 h SER 17 N -1.00 -1.56 -0.32 0.00 0.02 -1.86 -0.97 113.55 107.86 2da6 h SER 17 Ca -0.09 0.28 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2da6 h SER 17 Cb 0.74 0.74 -0.07 0.00 0.14 0.00 0.00 62.40 63.95 2da6 h SER 17 CO -0.06 -0.30 -0.54 1.56 -1.14 0.00 0.00 176.83 176.36 2da6 h GLN 18 N -0.11 -0.42 -0.90 3.45 4.20 -1.70 0.02 115.11 119.64 2da6 h GLN 18 Ca 0.24 0.03 0.25 0.00 0.06 0.00 0.00 58.65 59.23 2da6 h GLN 18 Cb 0.55 0.10 -0.15 0.00 0.30 0.00 0.00 27.48 28.27 2da6 h GLN 18 CO -0.83 -0.28 0.19 1.96 -0.67 0.00 0.00 178.83 179.19 2da6 h GLN 19 N -0.44 0.14 -0.93 1.46 1.08 -1.31 0.59 115.11 115.70 2da6 h GLN 19 Ca 0.06 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2da6 h GLN 19 Cb 0.60 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.94 2da6 h GLN 19 CO -0.53 0.09 0.60 0.82 -0.95 0.00 0.00 178.83 178.86 2da6 h ILE 20 N 0.14 1.11 -0.58 2.54 2.04 -0.34 -1.27 117.51 121.15 2da6 h ILE 20 Ca 0.57 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 2da6 h ILE 20 Cb 1.17 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2da6 h ILE 20 CO -0.72 0.20 0.24 -0.07 0.00 0.00 0.00 178.15 177.80 2da6 h LEU 21 N 1.12 0.77 -0.09 1.44 3.38 0.86 -2.37 115.31 120.42 2da6 h LEU 21 Ca 0.39 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 21 Cb 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2da6 h LEU 21 CO -0.15 0.69 -0.06 1.88 0.09 0.00 0.00 178.44 180.89 2da6 h TYR 22 N 0.83 0.22 -0.95 1.13 0.05 -0.66 -0.11 116.97 117.49 2da6 h TYR 22 Ca 0.20 -0.06 0.13 0.00 0.05 0.00 0.00 58.73 59.05 2da6 h TYR 22 Cb 0.16 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 2da6 h TYR 22 CO 0.01 0.58 0.61 1.96 -1.05 0.00 0.00 178.16 180.27 2da6 h GLN 23 N -0.20 0.85 0.00 4.88 1.08 -1.08 0.25 115.11 120.89 2da6 h GLN 23 Ca 0.02 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2da6 h GLN 23 Cb 0.53 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2da6 h GLN 23 CO 0.02 0.56 -0.38 0.00 -0.95 0.00 0.00 178.83 178.08 2da6 h ALA 24 N 1.56 0.04 0.00 3.87 0.00 -1.37 -3.21 119.26 120.16 2da6 h ALA 24 Ca 0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2da6 h ALA 24 Cb 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2da6 h ALA 24 CO -0.24 0.18 -0.06 -0.92 0.00 0.00 0.00 179.25 178.21 2da6 h TYR 25 N -0.37 0.00 -0.10 0.00 5.03 -0.43 -0.23 116.97 120.87 2da6 h TYR 25 Ca -0.05 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.18 2da6 h TYR 25 Cb 1.13 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 2da6 h TYR 25 CO 0.17 0.06 -0.32 0.22 -1.32 0.00 0.00 178.16 176.97 2da6 h ASP 26 N 0.00 0.20 0.04 -2.11 3.58 -0.56 -3.24 116.42 114.33 2da6 h ASP 26 Ca -0.00 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 2da6 h ASP 26 Cb 0.11 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2da6 h ASP 26 CO 0.01 0.52 -0.82 0.03 -2.88 0.00 0.00 179.24 176.10 2da6 h ARG 27 N 0.18 0.08 -4.07 0.28 3.08 -1.26 -3.47 114.38 109.20 2da6 h ARG 27 Ca 0.02 -0.13 -0.42 0.00 0.07 0.00 0.00 59.98 59.52 2da6 h ARG 27 Cb 0.66 0.05 -0.34 0.00 0.08 0.00 0.00 29.97 30.42 2da6 h ARG 27 CO 0.05 1.06 -0.78 -1.14 -1.07 0.00 0.00 179.97 178.10 2da6 s GLN 28 N -2.34 0.90 0.11 0.04 2.00 -0.21 -5.03 119.66 115.13 2da6 s GLN 28 Ca -0.22 -0.13 -0.03 0.00 -2.00 0.00 0.00 55.36 52.97 2da6 s GLN 28 Cb 0.02 -0.89 -0.15 0.00 0.80 0.00 0.00 33.01 32.79 2da6 s GLN 28 CO 0.68 -0.07 1.25 0.87 -0.50 0.00 0.00 175.29 177.53 2da6 h LYS 29 N 7.17 0.33 -3.34 1.67 1.79 -1.84 -3.35 116.57 119.00 2da6 h LYS 29 Ca -0.37 -0.42 -0.69 0.00 -2.18 0.00 0.00 60.65 56.99 2da6 h LYS 29 Cb 1.16 0.14 -0.36 0.00 -1.58 0.00 0.00 32.23 31.58 2da6 h LYS 29 CO 0.47 1.13 -0.24 -0.80 -1.08 0.00 0.00 179.45 178.93 2da6 s ASN 30 N -7.09 5.61 0.10 0.86 0.02 -1.26 -5.01 114.94 108.18 2da6 s ASN 30 Ca -0.05 -3.53 -0.31 0.00 -1.02 0.00 0.00 52.86 47.96 2da6 s ASN 30 Cb 0.08 -1.85 -0.08 0.00 0.02 0.00 0.00 41.25 39.43 2da6 s ASN 30 CO 0.87 -0.21 1.37 -2.16 0.02 0.00 0.00 177.10 176.98 2da6 s PRO 31 N -1.04 4.33 0.67 -0.60 0.04 -1.26 -5.03 135.00 132.10 2da6 s PRO 31 Ca 0.24 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.35 2da6 s PRO 31 Cb -0.10 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.27 2da6 s PRO 31 CO -0.11 -0.43 0.92 -1.12 0.04 0.00 0.00 177.00 176.30 2da6 s SER 32 N 1.15 4.63 0.26 6.66 0.01 -1.26 -4.42 113.70 120.72 2da6 s SER 32 Ca 0.64 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 57.41 2da6 s SER 32 Cb -0.36 0.07 0.70 0.00 0.21 0.00 0.00 66.02 66.65 2da6 s SER 32 CO 0.30 -1.67 1.28 1.17 0.41 0.00 0.00 173.24 174.74 2da6 n LYS 33 N -2.62 -0.06 0.29 12.44 3.00 -1.26 0.10 118.16 130.05 2da6 n LYS 33 Ca 0.15 1.21 -0.12 0.00 -0.00 0.00 0.00 58.31 59.55 2da6 n LYS 33 Cb 0.61 -1.96 -0.06 0.00 0.00 0.00 0.00 35.03 33.62 2da6 n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2da6 h GLU 34 N 0.00 -0.74 0.10 1.64 3.07 -1.98 -1.37 114.58 115.29 2da6 h GLU 34 Ca 0.53 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2da6 h GLU 34 Cb 1.15 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 2da6 h GLU 34 CO -0.75 -0.50 -0.28 0.93 -1.40 0.00 0.00 179.01 177.02 2da6 h GLU 35 N -1.04 -0.41 -0.60 2.33 4.39 -1.13 -0.94 114.58 117.18 2da6 h GLU 35 Ca -0.08 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.76 2da6 h GLU 35 Cb 0.59 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.22 2da6 h GLU 35 CO 0.13 -0.27 -0.31 0.00 -1.16 0.00 0.00 179.01 177.40 2da6 h ARG 36 N -0.42 -0.13 -0.53 2.33 3.08 -0.47 -0.34 114.38 117.89 2da6 h ARG 36 Ca -0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2da6 h ARG 36 Cb 0.41 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.39 2da6 h ARG 36 CO -0.13 -0.09 -0.18 0.93 -1.07 0.00 0.00 179.97 179.43 2da6 h GLU 37 N -0.14 -0.06 -0.23 0.04 4.39 -0.92 0.52 114.58 118.18 2da6 h GLU 37 Ca 0.25 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.02 2da6 h GLU 37 Cb 0.54 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2da6 h GLU 37 CO -0.68 -0.04 0.63 0.00 -1.16 0.00 0.00 179.01 177.76 2da6 h ALA 38 N 1.39 1.88 0.00 3.43 0.00 0.35 0.85 119.26 127.17 2da6 h ALA 38 Ca 0.25 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 2da6 h ALA 38 Cb 0.44 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2da6 h ALA 38 CO -0.57 -0.75 -1.91 1.28 0.00 0.00 0.00 179.25 177.30 2da6 n LEU 39 N -3.04 0.53 -0.14 0.00 4.77 0.18 -2.76 117.00 116.53 2da6 n LEU 39 Ca 0.04 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2da6 n LEU 39 Cb 0.73 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 42.07 2da6 n LEU 39 CO 0.15 0.37 0.64 0.58 -1.33 0.00 0.00 177.39 177.80 2da6 h VAL 40 N 0.00 1.27 0.11 4.08 2.07 0.16 -1.12 116.25 122.82 2da6 h VAL 40 Ca -0.34 -1.40 -0.21 0.00 0.82 0.00 0.00 66.70 65.57 2da6 h VAL 40 Cb 1.97 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2da6 h VAL 40 CO 0.05 0.47 -1.04 1.05 0.02 0.00 0.00 177.57 178.12 2da6 h GLU 41 N 0.75 0.23 -0.35 1.57 4.11 -1.47 -3.12 114.58 116.31 2da6 h GLU 41 Ca 0.09 -0.40 0.02 0.00 0.07 0.00 0.00 59.36 59.15 2da6 h GLU 41 Cb 0.81 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2da6 h GLU 41 CO 0.07 1.19 0.18 1.49 0.07 0.00 0.00 179.01 182.01 2da6 h GLU 42 N -0.43 0.36 0.22 1.06 4.57 -1.59 -1.42 114.58 117.34 2da6 h GLU 42 Ca -0.22 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2da6 h GLU 42 Cb 1.62 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 2da6 h GLU 42 CO 0.08 0.24 -0.10 0.00 -1.18 0.00 0.00 179.01 178.04 2da6 h ASN 44 N -0.30 0.13 0.44 0.00 2.35 -1.56 0.18 115.58 116.81 2da6 h ASN 44 Ca -0.03 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2da6 h ASN 44 Cb 0.22 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2da6 h ASN 44 CO 0.05 -0.05 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.47 2da6 h ARG 45 N 0.07 -0.58 -0.90 0.81 2.43 -0.99 -2.95 114.38 112.28 2da6 h ARG 45 Ca 0.77 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 60.08 2da6 h ARG 45 Cb 2.77 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 32.37 2da6 h ARG 45 CO -0.17 -0.36 0.54 0.00 -1.51 0.00 0.00 179.97 178.47 2da6 h ALA 46 N -1.09 1.31 -0.76 2.80 0.00 0.70 -1.37 119.26 120.85 2da6 h ALA 46 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2da6 h ALA 46 Cb 0.48 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2da6 h ALA 46 CO 0.10 0.17 0.41 0.93 0.00 0.00 0.00 179.25 180.86 2da6 h GLU 47 N 0.89 0.66 -0.59 0.00 5.08 -0.82 -0.24 114.58 119.57 2da6 h GLU 47 Ca 0.44 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.65 2da6 h GLU 47 Cb 0.39 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2da6 h GLU 47 CO -0.25 0.44 -0.04 0.00 -1.00 0.00 0.00 179.01 178.16 2da6 h LEU 49 N 0.96 -0.52 -0.27 0.00 3.38 -0.66 1.93 115.31 120.12 2da6 h LEU 49 Ca 0.16 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2da6 h LEU 49 Cb 0.60 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2da6 h LEU 49 CO 0.04 -0.29 0.14 0.06 0.09 0.00 0.00 178.44 178.48 2da6 h GLN 50 N -0.73 0.29 0.00 1.13 3.07 -1.09 -0.27 115.11 117.51 2da6 h GLN 50 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2da6 h GLN 50 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.03 2da6 h GLN 50 CO 0.10 0.19 0.00 0.54 0.09 0.00 0.00 178.83 179.76 2da6 n ARG 51 N -4.96 0.66 0.00 0.06 1.74 -0.40 -4.83 116.66 108.93 2da6 n ARG 51 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2da6 n ARG 51 Cb 0.06 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2da6 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2da6 n GLY 52 N 0.28 2.96 3.35 -0.13 0.00 -0.11 -5.01 105.19 106.53 2da6 n GLY 52 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2da6 n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2da6 s VAL 53 N -1.27 1.54 -0.08 1.61 1.01 0.64 -4.79 120.40 119.06 2da6 s VAL 53 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2da6 s VAL 53 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2da6 s VAL 53 CO 0.00 0.00 0.19 -0.55 0.00 0.00 0.00 175.10 174.74 2da6 s SER 54 N -2.77 6.44 0.00 3.32 0.15 -1.26 -3.24 113.70 116.34 2da6 s SER 54 Ca 0.69 0.51 0.14 0.00 0.70 0.00 0.00 55.95 57.99 2da6 s SER 54 Cb -0.19 -2.08 0.67 0.00 -1.71 0.00 0.00 66.02 62.70 2da6 s SER 54 CO 0.62 0.36 1.43 -0.81 1.20 0.00 0.00 173.24 176.04 2da6 n PRO 55 N 1.73 0.10 0.00 5.44 -0.04 -1.26 -1.91 135.00 139.05 2da6 n PRO 55 Ca -0.17 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2da6 n PRO 55 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2da6 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da6 n SER 56 N -1.40 1.08 -0.29 3.54 2.88 -1.26 -4.12 113.62 114.05 2da6 n SER 56 Ca 0.05 -0.93 0.08 0.00 -1.33 0.00 0.00 58.87 56.75 2da6 n SER 56 Cb 0.14 0.69 0.17 0.00 -0.75 0.00 0.00 64.21 64.46 2da6 n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2da6 n LYS 57 N -1.18 1.48 -0.17 -1.46 4.76 -0.80 -4.74 118.16 116.05 2da6 n LYS 57 Ca 0.06 -2.79 0.29 0.00 -2.87 0.00 0.00 58.31 53.00 2da6 n LYS 57 Cb 0.36 -1.56 0.72 0.00 -1.84 0.00 0.00 35.03 32.71 2da6 n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2da6 h ALA 58 N 0.39 2.82 -1.14 7.82 0.00 -1.70 0.66 119.26 128.11 2da6 h ALA 58 Ca 0.01 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.21 2da6 h ALA 58 Cb 1.05 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2da6 h ALA 58 CO 0.03 -1.14 0.80 1.12 0.00 0.00 0.00 179.25 180.05 2da6 h HIS 59 N 0.00 0.17 -0.01 0.00 2.07 -1.92 0.63 115.15 116.09 2da6 h HIS 59 Ca 0.43 0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.88 2da6 h HIS 59 Cb 1.78 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.71 2da6 h HIS 59 CO 0.00 0.01 -0.33 0.78 -3.07 0.00 0.00 177.93 175.32 2da6 h GLY 60 N 0.09 0.01 -1.47 6.13 0.00 -1.26 -3.04 103.07 103.53 2da6 h GLY 60 Ca 0.57 -0.01 0.48 0.00 0.00 0.00 0.00 47.33 48.37 2da6 h GLY 60 CO -0.08 0.01 0.98 1.04 0.00 0.00 0.00 176.54 178.49 2da6 n LEU 61 N -4.15 0.15 0.00 3.11 4.77 0.22 -4.68 117.00 116.42 2da6 n LEU 61 Ca -0.02 1.24 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 2da6 n LEU 61 Cb 0.37 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2da6 n LEU 61 CO 0.38 -1.33 0.00 0.61 -1.33 0.00 0.00 177.39 175.72 2da6 n GLY 62 N -1.60 0.38 0.16 -0.72 0.00 -1.15 -0.49 105.19 101.77 2da6 n GLY 62 Ca 0.40 0.70 0.01 0.00 0.00 0.00 0.00 46.02 47.13 2da6 n GLY 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2da6 h SER 63 N 0.00 0.00 -0.39 1.61 0.87 -1.94 -2.57 113.55 111.13 2da6 h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2da6 h SER 63 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2da6 h SER 63 CO 0.00 0.50 0.00 0.59 -0.53 0.00 0.00 176.83 177.39 2da6 n ASN 64 N -3.81 2.20 -4.77 6.23 3.02 0.35 -4.76 115.26 113.72 2da6 n ASN 64 Ca -0.01 -2.02 -0.39 0.00 -0.03 0.00 0.00 54.58 52.12 2da6 n ASN 64 Cb 0.54 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2da6 s LEU 65 N -1.02 4.60 -0.03 3.41 2.96 -0.97 -4.91 118.68 122.72 2da6 s LEU 65 Ca 0.27 1.80 -0.04 0.00 -0.22 0.00 0.00 54.13 55.94 2da6 s LEU 65 Cb 0.14 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 2da6 s LEU 65 CO 0.18 0.16 0.19 -0.69 -1.32 0.00 0.00 176.35 174.86 2da6 s VAL 66 N -1.21 5.43 0.05 1.68 1.01 -1.26 -4.95 120.40 121.14 2da6 s VAL 66 Ca 0.40 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 2da6 s VAL 66 Cb -0.24 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2da6 s VAL 66 CO 0.29 0.39 0.13 0.42 0.00 0.00 0.00 175.10 176.32 2da6 s THR 67 N -1.26 0.14 0.25 3.92 -4.23 -1.26 -4.92 115.64 108.28 2da6 s THR 67 Ca 0.25 -1.14 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 2da6 s THR 67 Cb -0.13 -1.07 0.27 0.00 1.34 0.00 0.00 72.50 72.92 2da6 s THR 67 CO 0.16 -0.63 1.14 1.21 -0.54 0.00 0.00 174.62 175.95 2da6 n GLU 68 N 0.49 -0.05 0.34 3.99 2.13 -1.26 0.78 120.64 127.05 2da6 n GLU 68 Ca -0.17 1.03 -0.17 0.00 0.66 0.00 0.00 57.16 58.51 2da6 n GLU 68 Cb 0.60 -1.77 -0.08 0.00 0.27 0.00 0.00 31.44 30.46 2da6 n GLU 68 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2da6 h VAL 69 N 0.00 0.31 -0.96 6.31 2.07 -1.98 -1.26 116.25 120.74 2da6 h VAL 69 Ca 0.55 -0.17 0.18 0.00 0.82 0.00 0.00 66.70 68.08 2da6 h VAL 69 Cb 1.34 0.37 -0.18 0.00 -1.52 0.00 0.00 31.29 31.31 2da6 h VAL 69 CO -0.61 0.02 -0.28 0.03 0.02 0.00 0.00 177.57 176.75 2da6 h ARG 70 N -0.98 -0.01 -0.50 1.57 2.47 -0.03 0.81 114.38 117.72 2da6 h ARG 70 Ca -0.09 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 2da6 h ARG 70 Cb 0.69 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2da6 h ARG 70 CO 0.14 -0.00 -0.05 0.28 0.56 0.00 0.00 179.97 180.90 2da6 h VAL 71 N -0.01 1.26 -0.86 2.04 2.07 -1.41 -1.80 116.25 117.54 2da6 h VAL 71 Ca 0.43 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2da6 h VAL 71 Cb 0.67 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2da6 h VAL 71 CO -0.98 0.40 0.46 0.22 0.02 0.00 0.00 177.57 177.69 2da6 h TYR 72 N 0.80 1.19 -0.21 1.57 5.03 0.17 -0.89 116.97 124.64 2da6 h TYR 72 Ca 0.14 -0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.27 2da6 h TYR 72 Cb 0.55 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2da6 h TYR 72 CO 0.03 0.83 -0.44 -0.91 -1.32 0.00 0.00 178.16 176.35 2da6 h ASN 73 N 1.21 0.76 -0.91 -2.11 2.35 -0.45 -1.33 115.58 115.11 2da6 h ASN 73 Ca 0.30 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 2da6 h ASN 73 Cb 0.04 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 2da6 h ASN 73 CO -0.05 1.17 0.51 -0.25 -1.65 0.00 0.00 177.43 177.16 2da6 h TRP 74 N 0.37 1.23 -0.06 1.19 7.01 -1.06 -1.84 115.95 122.80 2da6 h TRP 74 Ca 0.00 -0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.80 2da6 h TRP 74 Cb 1.05 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 2da6 h TRP 74 CO 0.09 0.84 -0.76 0.74 -2.79 0.00 0.00 178.44 176.57 2da6 h PHE 75 N 1.27 0.47 -0.57 2.65 -1.00 -1.16 -2.57 116.94 116.03 2da6 h PHE 75 Ca 0.32 -0.22 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 2da6 h PHE 75 Cb 0.01 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 2da6 h PHE 75 CO 0.01 0.98 0.16 0.00 -1.61 0.00 0.00 178.31 177.84 2da6 h ALA 76 N 0.96 1.21 -0.02 2.45 0.00 -0.79 -2.45 119.26 120.63 2da6 h ALA 76 Ca -0.03 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 2da6 h ALA 76 Cb 1.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2da6 h ALA 76 CO 0.13 0.55 -0.92 -0.97 0.00 0.00 0.00 179.25 178.04 2da6 h ASN 77 N 0.84 0.58 0.29 0.00 -1.24 -1.32 -1.57 115.58 113.16 2da6 h ASN 77 Ca 0.19 -0.45 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 2da6 h ASN 77 Cb 0.28 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 2da6 h ASN 77 CO -0.00 1.25 -0.09 0.03 -1.29 0.00 0.00 177.43 177.32 2da6 h ARG 78 N 0.27 0.00 0.00 6.67 2.47 -1.18 0.36 114.38 122.97 2da6 h ARG 78 Ca -0.08 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.37 2da6 h ARG 78 Cb 1.55 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.82 2da6 h ARG 78 CO 0.16 0.09 -1.93 0.54 0.56 0.00 0.00 179.97 179.39 2da6 n ARG 79 N -3.69 0.65 0.08 0.04 1.74 -0.95 -3.72 116.66 110.82 2da6 n ARG 79 Ca -0.02 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 2da6 n ARG 79 Cb 0.21 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2da6 n ARG 79 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2da6 h LYS 80 N 0.00 0.26 -0.16 5.56 1.57 -0.80 -2.90 116.57 120.10 2da6 h LYS 80 Ca -0.34 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.08 2da6 h LYS 80 Cb 1.94 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 2da6 h LYS 80 CO 0.05 1.00 -0.20 1.05 -0.57 0.00 0.00 179.45 180.79 2da6 h GLU 81 N 0.14 0.41 -0.84 3.15 4.11 -1.11 0.46 114.58 120.90 2da6 h GLU 81 Ca -0.06 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2da6 h GLU 81 Cb 1.54 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 2da6 h GLU 81 CO 0.14 0.81 0.50 1.05 0.07 0.00 0.00 179.01 181.58 2da6 h GLU 82 N 0.04 1.14 0.00 1.06 4.11 -1.64 -1.59 114.58 117.70 2da6 h GLU 82 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2da6 h GLU 82 Cb 0.75 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2da6 h GLU 82 CO 0.05 0.81 -0.23 0.00 0.07 0.00 0.00 179.01 179.70 2da6 h ALA 83 N 1.39 0.85 0.29 1.06 0.00 -1.49 -3.37 119.26 117.99 2da6 h ALA 83 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2da6 h ALA 83 Cb -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2da6 h ALA 83 CO -0.06 0.00 -0.22 0.35 0.00 0.00 0.00 179.25 179.33 2da6 h PHE 84 N 0.00 -0.58 -0.57 0.00 3.04 0.15 0.47 116.94 119.44 2da6 h PHE 84 Ca 0.00 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.11 2da6 h PHE 84 Cb 0.76 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 2da6 h PHE 84 CO 0.00 -0.31 0.94 0.00 -2.02 0.00 0.00 178.31 176.92 2da6 h ARG 85 N -0.49 0.00 0.10 1.11 3.08 -1.72 1.05 114.38 117.51 2da6 h ARG 85 Ca -0.04 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2da6 h ARG 85 CO 0.02 0.00 -1.99 1.04 -1.07 0.00 0.00 179.97 177.97 2da6 n GLN 86 N -3.11 0.73 -0.08 0.04 6.02 -0.64 -3.89 117.38 116.45 2da6 n GLN 86 Ca 0.12 0.26 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 2da6 n GLN 86 Cb 1.13 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 30.65 2da6 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2da6 h LYS 87 N 0.06 0.39 0.00 -1.09 3.64 0.59 -1.38 116.57 118.77 2da6 h LYS 87 Ca -0.41 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2da6 h LYS 87 Cb 2.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2da6 h LYS 87 CO 0.08 0.38 0.00 1.47 -2.27 0.00 0.00 179.45 179.10 2da6 n LEU 88 N -4.80 0.00 -0.03 5.20 -0.00 -0.38 -1.96 117.00 115.02 2da6 n LEU 88 Ca -0.02 0.48 -0.13 0.00 -0.00 0.00 0.00 56.01 56.34 2da6 n LEU 88 Cb 0.10 -0.48 -0.14 0.00 -0.00 0.00 0.00 43.42 42.90 2da6 n LEU 88 CO 0.35 -0.32 -0.75 0.00 -0.00 0.00 0.00 177.39 176.67 2da6 n ALA 89 N -1.48 1.34 -0.28 1.47 0.00 -0.59 -4.18 120.51 116.79 2da6 n ALA 89 Ca 0.02 -0.83 0.06 0.00 0.00 0.00 0.00 53.44 52.69 2da6 n ALA 89 Cb 0.11 -0.66 0.28 0.00 0.00 0.00 0.00 19.45 19.18 2da6 n ALA 89 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2da6 h MET 90 N 0.02 0.90 -7.48 0.00 2.86 -0.72 -3.42 114.93 107.08 2da6 h MET 90 Ca -0.38 -0.05 -0.43 0.00 -2.06 0.00 0.00 59.70 56.77 2da6 h MET 90 Cb 2.05 -0.20 0.17 0.00 0.06 0.00 0.00 31.60 33.68 2da6 h MET 90 CO 0.06 0.59 0.22 -0.51 1.06 0.00 0.00 176.91 178.33 2da6 s ASP 91 N -5.99 1.92 0.18 1.22 1.11 -1.24 -5.09 116.67 108.78 2da6 s ASP 91 Ca -0.11 0.68 -0.23 0.00 0.18 0.00 0.00 52.55 53.07 2da6 s ASP 91 Cb 0.20 -0.99 0.05 0.00 1.07 0.00 0.00 42.92 43.25 2da6 s ASP 91 CO 0.79 -3.51 0.75 0.00 1.18 0.00 0.00 175.17 174.38 2da6 s ALA 92 N -3.21 -1.49 -1.58 5.23 0.00 -1.26 -4.96 121.76 114.49 2da6 s ALA 92 Ca 0.70 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 2da6 s ALA 92 Cb -0.11 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.87 2da6 s ALA 92 CO 0.55 -0.91 0.67 0.66 0.00 0.00 0.00 175.76 176.73 2da6 n TYR 93 N -0.41 -1.77 -4.27 0.00 4.02 -1.26 -4.95 117.16 108.52 2da6 n TYR 93 Ca -0.09 0.79 -0.15 0.00 -0.01 0.00 0.00 57.90 58.44 2da6 n TYR 93 Cb 0.61 -3.34 -0.10 0.00 -0.02 0.00 0.00 39.34 36.49 2da6 n TYR 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2da6 s SER 94 N -3.68 1.72 -0.57 7.72 0.01 -1.26 -5.06 113.70 112.58 2da6 s SER 94 Ca 0.47 -1.10 0.02 0.00 1.31 0.00 0.00 55.95 56.65 2da6 s SER 94 Cb -0.25 0.01 0.43 0.00 0.21 0.00 0.00 66.02 66.42 2da6 s SER 94 CO 0.90 -0.42 1.66 -1.54 0.41 0.00 0.00 173.24 174.25 2da6 n SER 95 N -0.27 6.44 -3.93 2.44 3.41 -1.26 -5.03 113.62 115.43 2da6 n SER 95 Ca -0.08 -3.78 -0.30 0.00 -0.26 0.00 0.00 58.87 54.45 2da6 n SER 95 Cb 0.62 -0.74 0.23 0.00 -0.26 0.00 0.00 64.21 64.05 2da6 n SER 95 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2da6 s ASN 96 N -2.42 1.23 -0.02 4.04 2.47 -1.26 -4.88 114.94 114.11 2da6 s ASN 96 Ca 0.56 0.66 -0.39 0.00 0.42 0.00 0.00 52.86 54.11 2da6 s ASN 96 Cb 0.45 -0.94 -0.18 0.00 -1.45 0.00 0.00 41.25 39.13 2da6 s ASN 96 CO -0.12 -3.94 1.33 -1.20 -3.72 0.00 0.00 177.10 169.46 2da6 n SER 97 N -4.64 1.25 -4.46 -4.21 7.64 -1.26 -4.79 113.62 103.15 2da6 n SER 97 Ca 0.12 1.13 -0.45 0.00 1.01 0.00 0.00 58.87 60.68 2da6 n SER 97 Cb 0.59 -1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 2da6 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da6 n GLY 98 N 2.53 -1.28 3.66 0.23 0.00 -1.26 -4.83 105.19 104.24 2da6 n GLY 98 Ca 0.21 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 2da6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da6 s PRO 99 N -1.27 4.18 -0.19 1.61 0.04 -1.26 -4.92 135.00 133.19 2da6 s PRO 99 Ca 0.62 1.99 -0.22 0.00 0.04 0.00 0.00 61.00 63.43 2da6 s PRO 99 Cb -0.79 -3.92 -0.21 0.00 0.04 0.00 0.00 34.50 29.63 2da6 s PRO 99 CO 0.58 -0.82 0.34 0.77 0.04 0.00 0.00 177.00 177.91 2da6 h SER 100 N 9.16 0.04 -6.56 6.66 0.02 -1.99 -3.47 113.55 117.40 2da6 h SER 100 Ca -0.35 -0.63 -0.50 0.00 -0.84 0.00 0.00 61.79 59.47 2da6 h SER 100 Cb 1.15 -0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.46 2da6 h SER 100 CO 0.96 1.42 -0.76 -1.54 -1.14 0.00 0.00 176.83 175.77 2da6 n SER 101 N -4.41 0.01 0.00 3.07 3.41 -1.26 -5.28 113.62 109.16 2da6 n SER 101 Ca -0.28 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2da6 n SER 101 Cb 0.67 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2da6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49