#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 -0.54 -0.07 1.61 0.15 -1.26 -5.16 113.70 108.43 2da6 s SER 2 Ca 0.00 0.98 0.03 0.00 0.70 0.00 0.00 55.95 57.65 2da6 s SER 2 Cb 0.00 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.25 2da6 s SER 2 CO 0.00 -0.18 -0.15 -0.55 1.20 0.00 0.00 173.24 173.56 2da6 s SER 3 N 0.83 2.07 0.00 5.45 0.15 -1.26 -5.12 113.70 115.83 2da6 s SER 3 Ca -0.05 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2da6 s SER 3 Cb -0.05 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2da6 s SER 3 CO -0.06 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2da6 n GLY 4 N 3.75 2.34 3.09 9.45 0.00 -1.26 -5.10 105.19 117.46 2da6 n GLY 4 Ca -0.22 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 2da6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 s SER 5 N 0.82 4.91 -0.55 1.61 0.01 -1.26 -5.06 113.70 114.18 2da6 s SER 5 Ca 0.00 -1.87 -0.11 0.00 1.31 0.00 0.00 55.95 55.28 2da6 s SER 5 Cb 0.00 -1.70 0.14 0.00 0.21 0.00 0.00 66.02 64.67 2da6 s SER 5 CO 0.00 -0.39 0.46 -0.55 0.41 0.00 0.00 173.24 173.17 2da6 s SER 6 N 1.29 5.95 0.00 2.44 0.15 -1.26 -4.80 113.70 117.47 2da6 s SER 6 Ca 0.05 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.63 2da6 s SER 6 Cb -0.20 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2da6 s SER 6 CO -0.05 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2da6 n GLY 7 N 4.75 -1.51 3.35 9.45 0.00 -1.26 -5.01 105.19 114.96 2da6 n GLY 7 Ca -0.05 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 2da6 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2da6 s ARG 8 N -0.42 3.01 -0.53 1.61 0.52 -1.26 -4.93 118.95 116.94 2da6 s ARG 8 Ca 0.00 -1.49 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 2da6 s ARG 8 Cb 0.00 -4.24 0.35 0.00 0.52 0.00 0.00 34.95 31.59 2da6 s ARG 8 CO 0.00 -1.28 2.04 0.27 0.02 0.00 0.00 175.30 176.35 2da6 n ASN 9 N 5.48 7.22 -3.88 0.23 6.94 -1.26 -4.91 115.26 125.08 2da6 n ASN 9 Ca -0.12 -3.50 -0.11 0.00 -0.02 0.00 0.00 54.58 50.82 2da6 n ASN 9 Cb 0.42 -1.01 -0.06 0.00 -2.36 0.00 0.00 39.78 36.76 2da6 n ASN 9 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2da6 s ARG 10 N -3.03 1.54 0.40 -3.83 3.52 -1.26 -5.13 118.95 111.15 2da6 s ARG 10 Ca 0.52 -1.46 -0.22 0.00 -0.13 0.00 0.00 55.73 54.43 2da6 s ARG 10 Cb 0.40 0.41 -0.15 0.00 -1.56 0.00 0.00 34.95 34.06 2da6 s ARG 10 CO -0.02 -0.61 0.28 0.34 -0.81 0.00 0.00 175.30 174.48 2da6 n PHE 11 N -0.40 -1.44 -4.24 5.12 -0.00 -1.26 -4.98 117.46 110.26 2da6 n PHE 11 Ca -0.00 0.64 -0.19 0.00 -0.00 0.00 0.00 57.45 57.90 2da6 n PHE 11 Cb 0.63 -1.86 -0.15 0.00 -0.00 0.00 0.00 39.48 38.09 2da6 n PHE 11 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2da6 s LYS 12 N -1.20 0.73 0.99 -4.13 2.20 -1.26 -5.09 119.74 111.98 2da6 s LYS 12 Ca 0.61 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.90 2da6 s LYS 12 Cb -0.65 -0.72 0.19 0.00 -1.51 0.00 0.00 37.83 35.14 2da6 s LYS 12 CO 0.61 0.05 1.09 -1.58 -0.36 0.00 0.00 175.35 175.16 2da6 s TRP 13 N 0.32 2.06 0.14 4.03 0.52 -1.26 -4.91 118.94 119.83 2da6 s TRP 13 Ca -0.04 1.07 0.00 0.00 0.02 0.00 0.00 56.10 57.16 2da6 s TRP 13 Cb -0.08 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 2da6 s TRP 13 CO 0.00 -2.90 0.04 0.41 0.02 0.00 0.00 176.95 174.52 2da6 n GLY 14 N -0.89 3.64 0.19 0.98 0.00 -1.26 -4.94 105.19 102.90 2da6 n GLY 14 Ca 0.05 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 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 0.61 0.04 1.61 0.13 -2.00 -2.64 132.00 129.74 2da6 h PRO 15 Ca -0.10 -0.32 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 2da6 h PRO 15 Cb 0.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2da6 h PRO 15 CO 0.17 0.92 -0.33 0.00 -0.23 0.00 0.00 178.00 178.52 2da6 h ALA 16 N 0.68 0.00 0.08 -0.56 0.00 -1.97 -3.27 119.26 114.22 2da6 h ALA 16 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2da6 h ALA 16 Cb 0.80 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2da6 h ALA 16 CO 0.06 0.17 -0.44 0.77 0.00 0.00 0.00 179.25 179.81 2da6 h SER 17 N -0.82 -1.32 -0.66 0.00 0.02 -1.85 -1.67 113.55 107.24 2da6 h SER 17 Ca -0.07 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2da6 h SER 17 Cb 1.20 0.49 -0.10 0.00 0.14 0.00 0.00 62.40 64.13 2da6 h SER 17 CO 0.03 -0.45 -0.53 1.56 -1.14 0.00 0.00 176.83 176.29 2da6 h GLN 18 N -0.61 -0.21 -0.80 3.45 4.20 -1.65 0.15 115.11 119.64 2da6 h GLN 18 Ca -0.00 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.91 2da6 h GLN 18 Cb 0.62 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.31 2da6 h GLN 18 CO -0.25 -0.14 0.09 1.96 -0.67 0.00 0.00 178.83 179.82 2da6 h GLN 19 N -0.22 0.15 -0.86 1.46 1.08 -1.54 0.30 115.11 115.48 2da6 h GLN 19 Ca 0.14 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.42 2da6 h GLN 19 Cb 0.53 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 2da6 h GLN 19 CO -0.74 0.10 0.51 0.82 -0.95 0.00 0.00 178.83 178.56 2da6 h ILE 20 N 0.15 0.93 -0.81 2.54 2.04 0.22 -1.27 117.51 121.31 2da6 h ILE 20 Ca 0.46 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2da6 h ILE 20 Cb 0.85 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2da6 h ILE 20 CO -0.65 0.16 0.53 -0.07 0.00 0.00 0.00 178.15 178.11 2da6 h LEU 21 N 0.85 0.95 -0.15 1.44 3.38 0.29 -2.40 115.31 119.67 2da6 h LEU 21 Ca 0.41 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2da6 h LEU 21 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2da6 h LEU 21 CO -0.24 0.70 0.05 1.88 0.09 0.00 0.00 178.44 180.92 2da6 h TYR 22 N 1.11 0.23 -0.76 1.13 0.05 -0.74 0.12 116.97 118.10 2da6 h TYR 22 Ca 0.30 -0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.20 2da6 h TYR 22 Cb -0.10 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.52 2da6 h TYR 22 CO -0.01 0.33 0.51 1.96 -1.05 0.00 0.00 178.16 179.90 2da6 h GLN 23 N 0.07 0.43 0.07 4.88 1.08 -1.05 0.21 115.11 120.81 2da6 h GLN 23 Ca 0.05 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 2da6 h GLN 23 Cb 0.21 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2da6 h GLN 23 CO -0.00 0.29 -0.44 0.00 -0.95 0.00 0.00 178.83 177.72 2da6 h ALA 24 N 1.64 -0.04 -0.27 3.87 0.00 -1.09 -3.30 119.26 120.07 2da6 h ALA 24 Ca 0.37 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2da6 h ALA 24 Cb 0.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2da6 h ALA 24 CO -0.13 0.21 0.18 -0.92 0.00 0.00 0.00 179.25 178.60 2da6 h TYR 25 N -0.68 0.34 -0.03 0.00 5.03 -0.16 -0.77 116.97 120.71 2da6 h TYR 25 Ca -0.08 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 2da6 h TYR 25 Cb 1.34 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.50 2da6 h TYR 25 CO 0.23 0.21 -0.16 0.22 -1.32 0.00 0.00 178.16 177.35 2da6 h ASP 26 N 0.37 0.04 0.02 -2.11 3.58 -0.69 -3.11 116.42 114.51 2da6 h ASP 26 Ca 0.10 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 2da6 h ASP 26 Cb -0.04 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2da6 h ASP 26 CO -0.02 0.20 -0.56 0.03 -2.88 0.00 0.00 179.24 176.01 2da6 h ARG 27 N 0.04 0.03 -3.89 0.28 3.08 -1.26 -3.47 114.38 109.20 2da6 h ARG 27 Ca 0.01 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 2da6 h ARG 27 Cb 0.31 0.02 -0.31 0.00 0.08 0.00 0.00 29.97 30.08 2da6 h ARG 27 CO 0.02 1.03 -0.74 -1.14 -1.07 0.00 0.00 179.97 178.07 2da6 s GLN 28 N -2.30 0.25 0.08 0.04 2.00 -0.60 -5.04 119.66 114.08 2da6 s GLN 28 Ca -0.22 -0.02 -0.14 0.00 -2.00 0.00 0.00 55.36 52.99 2da6 s GLN 28 Cb 0.01 -0.32 -0.23 0.00 0.80 0.00 0.00 33.01 33.26 2da6 s GLN 28 CO 0.67 -0.03 1.18 0.87 -0.50 0.00 0.00 175.29 177.49 2da6 h LYS 29 N 6.60 0.68 -3.51 1.67 1.79 -1.86 -3.36 116.57 118.58 2da6 h LYS 29 Ca -0.34 -0.76 -0.72 0.00 -2.18 0.00 0.00 60.65 56.66 2da6 h LYS 29 Cb 1.17 0.22 -0.34 0.00 -1.58 0.00 0.00 32.23 31.70 2da6 h LYS 29 CO 0.49 1.33 -0.18 -0.80 -1.08 0.00 0.00 179.45 179.22 2da6 s ASN 30 N -7.30 5.78 0.13 0.86 0.02 -1.26 -5.00 114.94 108.16 2da6 s ASN 30 Ca -0.10 -3.17 -0.31 0.00 -1.02 0.00 0.00 52.86 48.27 2da6 s ASN 30 Cb 0.07 -1.94 -0.08 0.00 0.02 0.00 0.00 41.25 39.32 2da6 s ASN 30 CO 0.92 -0.33 1.35 -2.16 0.02 0.00 0.00 177.10 176.90 2da6 s PRO 31 N -0.53 4.35 0.72 -0.60 0.04 -1.26 -5.03 135.00 132.69 2da6 s PRO 31 Ca 0.21 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 2da6 s PRO 31 Cb -0.14 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.24 2da6 s PRO 31 CO -0.07 -0.38 1.02 0.45 0.04 0.00 0.00 177.00 178.06 2da6 s SER 32 N 0.93 4.57 0.27 6.66 0.15 -1.26 -4.38 113.70 120.63 2da6 s SER 32 Ca 0.62 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 2da6 s SER 32 Cb -0.36 -0.77 0.60 0.00 -1.71 0.00 0.00 66.02 63.77 2da6 s SER 32 CO 0.32 -1.74 1.40 1.17 1.20 0.00 0.00 173.24 175.59 2da6 n LYS 33 N -2.94 -0.07 -0.05 5.44 3.00 -1.26 0.71 118.16 122.98 2da6 n LYS 33 Ca 0.10 1.36 -0.12 0.00 -0.00 0.00 0.00 58.31 59.65 2da6 n LYS 33 Cb 0.60 -2.11 -0.07 0.00 0.00 0.00 0.00 35.03 33.45 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 0.29 0.77 1.64 5.08 -1.98 -0.45 114.58 119.93 2da6 h GLU 34 Ca 0.51 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2da6 h GLU 34 Cb 0.97 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.21 2da6 h GLU 34 CO -0.87 0.59 -0.37 0.93 -1.00 0.00 0.00 179.01 178.30 2da6 h GLU 35 N -0.03 -1.00 -0.58 2.33 4.39 -0.04 -1.70 114.58 117.97 2da6 h GLU 35 Ca 0.04 0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.89 2da6 h GLU 35 Cb 0.49 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2da6 h GLU 35 CO 0.02 -0.67 0.20 0.00 -1.16 0.00 0.00 179.01 177.40 2da6 h ARG 36 N -1.04 0.36 -0.50 2.33 3.08 -0.13 -1.92 114.38 116.55 2da6 h ARG 36 Ca -0.11 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.02 2da6 h ARG 36 Cb 0.80 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2da6 h ARG 36 CO 0.17 0.23 -0.01 0.93 -1.07 0.00 0.00 179.97 180.23 2da6 h GLU 37 N 0.37 0.10 0.00 0.04 4.39 -1.01 0.35 114.58 118.82 2da6 h GLU 37 Ca 0.29 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2da6 h GLU 37 Cb 0.36 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2da6 h GLU 37 CO -0.31 0.07 0.36 0.00 -1.16 0.00 0.00 179.01 177.97 2da6 h ALA 38 N 1.45 1.32 0.00 3.43 0.00 -0.47 0.49 119.26 125.49 2da6 h ALA 38 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.85 2da6 h ALA 38 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2da6 h ALA 38 CO -0.43 -0.32 -2.03 1.28 0.00 0.00 0.00 179.25 177.74 2da6 n LEU 39 N -2.54 0.42 -0.12 0.00 4.77 0.12 -2.84 117.00 116.81 2da6 n LEU 39 Ca -0.01 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2da6 n LEU 39 Cb 0.40 0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.83 2da6 n LEU 39 CO 0.10 0.42 0.63 0.58 -1.33 0.00 0.00 177.39 177.79 2da6 h VAL 40 N 0.00 1.27 0.14 4.08 2.07 0.62 -1.08 116.25 123.35 2da6 h VAL 40 Ca -0.40 -1.45 -0.27 0.00 0.82 0.00 0.00 66.70 65.40 2da6 h VAL 40 Cb 2.08 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2da6 h VAL 40 CO 0.05 0.49 -1.32 1.05 0.02 0.00 0.00 177.57 177.86 2da6 h GLU 41 N 0.76 0.29 -0.39 1.57 4.11 -1.56 -3.12 114.58 116.25 2da6 h GLU 41 Ca 0.09 -0.49 0.01 0.00 0.07 0.00 0.00 59.36 59.03 2da6 h GLU 41 Cb 0.85 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2da6 h GLU 41 CO 0.08 1.24 0.26 1.49 0.07 0.00 0.00 179.01 182.14 2da6 h GLU 42 N -0.25 0.51 0.36 1.06 4.57 -1.59 -1.29 114.58 117.95 2da6 h GLU 42 Ca -0.27 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2da6 h GLU 42 Cb 1.79 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 2da6 h GLU 42 CO 0.10 0.34 -0.17 0.00 -1.18 0.00 0.00 179.01 178.10 2da6 h ASN 44 N -0.52 0.26 0.63 0.00 2.35 -1.57 0.14 115.58 116.87 2da6 h ASN 44 Ca -0.05 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2da6 h ASN 44 Cb 0.37 0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.81 2da6 h ASN 44 CO 0.08 -0.05 -0.30 -0.09 -1.65 0.00 0.00 177.43 175.42 2da6 h ARG 45 N 0.17 -0.81 -0.64 0.81 2.43 -1.05 -2.86 114.38 112.43 2da6 h ARG 45 Ca 0.71 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 60.03 2da6 h ARG 45 Cb 2.24 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 31.90 2da6 h ARG 45 CO -0.29 -0.54 0.28 0.00 -1.51 0.00 0.00 179.97 177.91 2da6 h ALA 46 N -1.24 0.85 -0.74 2.80 0.00 0.17 -1.59 119.26 119.51 2da6 h ALA 46 Ca -0.09 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2da6 h ALA 46 Cb 0.65 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2da6 h ALA 46 CO 0.14 -0.12 0.25 0.93 0.00 0.00 0.00 179.25 180.46 2da6 h GLU 47 N 0.50 0.36 -0.63 0.00 5.08 -0.84 0.85 114.58 119.89 2da6 h GLU 47 Ca 0.32 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2da6 h GLU 47 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2da6 h GLU 47 CO -0.27 0.24 0.12 0.00 -1.00 0.00 0.00 179.01 178.10 2da6 h LEU 49 N 0.95 0.03 -0.39 0.00 3.38 -0.48 1.95 115.31 120.75 2da6 h LEU 49 Ca 0.20 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2da6 h LEU 49 Cb 0.41 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2da6 h LEU 49 CO 0.01 0.14 0.12 0.06 0.09 0.00 0.00 178.44 178.87 2da6 h GLN 50 N -0.08 0.61 0.00 1.13 3.07 -0.85 -1.87 115.11 117.12 2da6 h GLN 50 Ca 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.62 2da6 h GLN 50 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.59 2da6 h GLN 50 CO -0.00 0.61 0.00 0.54 0.09 0.00 0.00 178.83 180.07 2da6 n ARG 51 N -4.61 0.82 0.00 0.06 1.74 -0.04 -4.83 116.66 109.81 2da6 n ARG 51 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2da6 n ARG 51 Cb 0.18 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.41 3.00 3.51 -0.13 0.00 -0.39 -4.99 105.19 106.60 2da6 n GLY 52 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.32 1.66 -0.06 1.61 1.01 0.65 -4.83 120.40 119.12 2da6 s VAL 53 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2da6 s VAL 53 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2da6 s VAL 53 CO 0.00 0.00 0.22 -0.55 0.00 0.00 0.00 175.10 174.77 2da6 s SER 54 N -3.31 6.48 0.00 3.32 0.15 -1.26 -3.21 113.70 115.88 2da6 s SER 54 Ca 0.69 0.56 0.15 0.00 0.70 0.00 0.00 55.95 58.05 2da6 s SER 54 Cb -0.16 -2.10 0.74 0.00 -1.71 0.00 0.00 66.02 62.80 2da6 s SER 54 CO 0.59 0.34 1.41 -0.81 1.20 0.00 0.00 173.24 175.97 2da6 n PRO 55 N 1.65 0.21 0.00 5.44 -0.04 -1.26 -1.88 135.00 139.12 2da6 n PRO 55 Ca -0.16 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2da6 n PRO 55 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.29 1.15 -0.84 3.54 2.88 -1.26 -4.25 113.62 113.55 2da6 n SER 56 Ca 0.07 -1.08 0.02 0.00 -1.33 0.00 0.00 58.87 56.55 2da6 n SER 56 Cb 0.12 0.91 0.20 0.00 -0.75 0.00 0.00 64.21 64.69 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 -1.24 1.71 -0.04 -1.46 4.76 -0.79 -4.73 118.16 116.36 2da6 n LYS 57 Ca 0.05 -3.23 0.15 0.00 -2.87 0.00 0.00 58.31 52.41 2da6 n LYS 57 Cb 0.35 -1.71 0.59 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.98 2.22 -0.12 7.82 0.00 -1.74 -0.97 119.26 127.46 2da6 h ALA 58 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2da6 h ALA 58 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2da6 h ALA 58 CO 0.18 -0.36 0.67 1.12 0.00 0.00 0.00 179.25 180.85 2da6 h HIS 59 N 0.22 0.00 0.04 0.00 2.07 -1.93 0.81 115.15 116.37 2da6 h HIS 59 Ca 0.26 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.56 2da6 h HIS 59 Cb 0.74 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 2da6 h HIS 59 CO -0.00 0.00 -1.02 0.78 -3.07 0.00 0.00 177.93 174.62 2da6 h GLY 60 N 0.00 0.24 -1.39 6.13 0.00 -1.58 -3.28 103.07 103.19 2da6 h GLY 60 Ca 0.06 -0.51 0.44 0.00 0.00 0.00 0.00 47.33 47.32 2da6 h GLY 60 CO -0.00 0.45 0.96 1.04 0.00 0.00 0.00 176.54 178.98 2da6 n LEU 61 N -3.58 0.09 0.00 3.11 4.77 0.28 -4.69 117.00 116.98 2da6 n LEU 61 Ca -0.05 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2da6 n LEU 61 Cb 0.90 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2da6 n LEU 61 CO 0.50 -1.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 2da6 n GLY 62 N -1.59 1.82 0.30 -0.72 0.00 -1.24 -0.30 105.19 103.45 2da6 n GLY 62 Ca 0.35 0.43 0.17 0.00 0.00 0.00 0.00 46.02 46.97 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 -0.54 1.61 0.87 -1.96 0.25 113.55 113.79 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 0.04 0.00 0.59 -0.53 0.00 0.00 176.83 176.93 2da6 n ASN 64 N -3.44 3.16 -4.76 6.23 4.13 0.59 -4.24 115.26 116.93 2da6 n ASN 64 Ca -0.02 -1.98 -0.40 0.00 1.68 0.00 0.00 54.58 53.87 2da6 n ASN 64 Cb 0.15 -0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 37.98 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2da6 s LEU 65 N -1.13 4.58 -0.00 3.41 2.96 0.07 -4.90 118.68 123.67 2da6 s LEU 65 Ca 0.40 1.99 -0.08 0.00 -0.22 0.00 0.00 54.13 56.22 2da6 s LEU 65 Cb 0.21 -3.68 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 2da6 s LEU 65 CO 0.28 0.06 0.29 -0.69 -1.32 0.00 0.00 176.35 174.97 2da6 s VAL 66 N -1.25 5.26 0.04 1.68 1.01 -1.26 -4.95 120.40 120.93 2da6 s VAL 66 Ca 0.43 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.66 2da6 s VAL 66 Cb -0.26 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2da6 s VAL 66 CO 0.32 0.43 0.14 0.42 0.00 0.00 0.00 175.10 176.41 2da6 s THR 67 N -1.23 0.12 0.27 3.92 -4.23 -1.26 -4.92 115.64 108.30 2da6 s THR 67 Ca 0.26 -1.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.92 2da6 s THR 67 Cb -0.14 -0.89 0.25 0.00 1.34 0.00 0.00 72.50 73.06 2da6 s THR 67 CO 0.14 -0.55 1.13 1.21 -0.54 0.00 0.00 174.62 176.01 2da6 n GLU 68 N 0.74 -0.04 0.25 3.99 2.13 -1.26 0.11 120.64 126.56 2da6 n GLU 68 Ca -0.19 0.98 -0.15 0.00 0.66 0.00 0.00 57.16 58.47 2da6 n GLU 68 Cb 0.59 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.44 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 0.48 -0.90 6.31 2.07 -1.98 -0.85 116.25 121.38 2da6 h VAL 69 Ca 0.61 -0.31 0.16 0.00 0.82 0.00 0.00 66.70 67.97 2da6 h VAL 69 Cb 1.63 0.62 -0.16 0.00 -1.52 0.00 0.00 31.29 31.85 2da6 h VAL 69 CO -0.54 0.05 -0.32 0.03 0.02 0.00 0.00 177.57 176.81 2da6 h ARG 70 N -0.84 -0.03 -0.45 1.57 2.47 0.40 0.33 114.38 117.84 2da6 h ARG 70 Ca -0.07 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 2da6 h ARG 70 Cb 0.57 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2da6 h ARG 70 CO 0.11 -0.02 0.01 0.28 0.56 0.00 0.00 179.97 180.91 2da6 h VAL 71 N -0.03 1.26 -0.78 2.04 2.07 -1.47 -1.98 116.25 117.36 2da6 h VAL 71 Ca 0.37 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 66.96 2da6 h VAL 71 Cb 0.62 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2da6 h VAL 71 CO -0.93 0.35 0.42 0.22 0.02 0.00 0.00 177.57 177.66 2da6 h TYR 72 N 0.64 0.76 0.28 1.57 5.03 0.10 -1.11 116.97 124.24 2da6 h TYR 72 Ca 0.13 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 2da6 h TYR 72 Cb 0.48 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2da6 h TYR 72 CO 0.04 0.29 -0.13 -0.91 -1.32 0.00 0.00 178.16 176.12 2da6 h ASN 73 N 0.70 -0.31 -0.80 -2.11 2.35 -0.60 -2.00 115.58 112.81 2da6 h ASN 73 Ca 0.38 -0.21 0.19 0.00 -0.55 0.00 0.00 56.30 56.11 2da6 h ASN 73 Cb 0.38 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 38.70 2da6 h ASN 73 CO -0.26 0.10 0.13 -0.25 -1.65 0.00 0.00 177.43 175.50 2da6 h TRP 74 N -0.80 0.17 -0.35 1.19 7.01 -1.08 0.38 115.95 122.46 2da6 h TRP 74 Ca -0.04 0.05 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 2da6 h TRP 74 Cb 0.51 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 2da6 h TRP 74 CO 0.04 -0.19 -0.19 0.74 -2.79 0.00 0.00 178.44 176.05 2da6 h PHE 75 N 0.18 0.73 -0.74 2.65 -1.00 -1.22 -2.39 116.94 115.16 2da6 h PHE 75 Ca 0.47 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 61.06 2da6 h PHE 75 Cb 0.86 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.21 2da6 h PHE 75 CO -0.33 0.80 0.33 0.00 -1.61 0.00 0.00 178.31 177.51 2da6 h ALA 76 N 1.20 0.96 0.00 2.45 0.00 0.45 -2.24 119.26 122.09 2da6 h ALA 76 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2da6 h ALA 76 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2da6 h ALA 76 CO 0.05 0.55 -0.46 -0.97 0.00 0.00 0.00 179.25 178.41 2da6 h ASN 77 N 1.05 0.00 0.58 0.00 -1.24 -0.90 -0.97 115.58 114.09 2da6 h ASN 77 Ca 0.25 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.15 2da6 h ASN 77 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2da6 h ASN 77 CO -0.03 0.46 -0.55 0.03 -1.29 0.00 0.00 177.43 176.06 2da6 h ARG 78 N 0.00 0.00 0.00 6.67 2.47 -0.90 -1.80 114.38 120.81 2da6 h ARG 78 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.51 2da6 h ARG 78 Cb 0.90 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.18 2da6 h ARG 78 CO 0.06 0.55 -1.46 0.00 0.56 0.00 0.00 179.97 179.67 2da6 h ARG 79 N 0.00 0.00 0.00 0.04 3.08 -1.19 -3.19 114.38 113.12 2da6 h ARG 79 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2da6 h ARG 79 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2da6 h ARG 79 CO 0.07 0.36 -0.74 1.57 -1.07 0.00 0.00 179.97 180.16 2da6 h LYS 80 N 0.00 0.00 0.04 0.04 2.10 -1.10 -2.88 116.57 114.78 2da6 h LYS 80 Ca -0.19 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.36 2da6 h LYS 80 Cb 1.70 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.04 2da6 h LYS 80 CO 0.06 0.74 -0.41 1.05 -2.00 0.00 0.00 179.45 178.89 2da6 h GLU 81 N 0.00 0.20 -0.70 0.07 4.11 -1.46 -1.94 114.58 114.86 2da6 h GLU 81 Ca -0.01 -0.27 0.02 0.00 0.07 0.00 0.00 59.36 59.17 2da6 h GLU 81 Cb 1.40 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 2da6 h GLU 81 CO 0.10 1.06 0.46 1.05 0.07 0.00 0.00 179.01 181.75 2da6 h GLU 82 N -0.53 0.89 0.00 1.06 4.11 -1.63 -0.95 114.58 117.51 2da6 h GLU 82 Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2da6 h GLU 82 Cb 1.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2da6 h GLU 82 CO 0.08 0.59 -0.29 0.00 0.07 0.00 0.00 179.01 179.45 2da6 h ALA 83 N 1.57 0.81 0.24 1.06 0.00 -1.59 -3.37 119.26 117.98 2da6 h ALA 83 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2da6 h ALA 83 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2da6 h ALA 83 CO -0.06 0.00 -0.21 0.35 0.00 0.00 0.00 179.25 179.32 2da6 h PHE 84 N 0.00 -0.59 -0.92 0.00 3.04 -0.34 0.54 116.94 118.67 2da6 h PHE 84 Ca 0.00 0.00 0.27 0.00 3.98 0.00 0.00 57.97 62.22 2da6 h PHE 84 Cb 0.77 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.47 2da6 h PHE 84 CO 0.00 -0.29 1.13 0.00 -2.02 0.00 0.00 178.31 177.13 2da6 h ARG 85 N -0.45 0.00 0.08 1.11 3.08 -1.73 1.39 114.38 117.86 2da6 h ARG 85 Ca -0.03 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2da6 h ARG 85 CO -0.01 0.00 -2.04 1.04 -1.07 0.00 0.00 179.97 177.89 2da6 n GLN 86 N -3.25 0.72 -0.17 0.04 6.02 -0.56 -3.97 117.38 116.22 2da6 n GLN 86 Ca 0.20 0.24 -0.04 0.00 -0.01 0.00 0.00 57.00 57.40 2da6 n GLN 86 Cb 1.41 -1.69 0.16 0.00 1.02 0.00 0.00 30.24 31.14 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 0.04 0.91 0.00 -1.09 3.11 0.70 -1.18 116.57 119.06 2da6 h LYS 87 Ca -0.43 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.23 2da6 h LYS 87 Cb 2.02 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 2da6 h LYS 87 CO 0.06 0.80 0.00 1.47 -2.81 0.00 0.00 179.45 178.97 2da6 n LEU 88 N -4.27 0.00 -0.08 5.20 -0.00 -0.03 -2.70 117.00 115.12 2da6 n LEU 88 Ca 0.04 0.18 -0.05 0.00 -0.00 0.00 0.00 56.01 56.18 2da6 n LEU 88 Cb 0.22 -0.18 -0.16 0.00 -0.00 0.00 0.00 43.42 43.31 2da6 n LEU 88 CO 0.40 -0.04 -1.06 0.00 -0.00 0.00 0.00 177.39 176.70 2da6 n ALA 89 N -1.18 1.80 1.31 1.47 0.00 -0.49 -4.26 120.51 119.16 2da6 n ALA 89 Ca 0.14 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.58 2da6 n ALA 89 Cb 0.15 -0.30 0.38 0.00 0.00 0.00 0.00 19.45 19.68 2da6 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2da6 n MET 90 N -2.62 1.35 -0.64 0.00 0.00 -0.92 -4.19 117.12 110.10 2da6 n MET 90 Ca -0.26 -0.86 -0.24 0.00 0.00 0.00 0.00 57.70 56.34 2da6 n MET 90 Cb 1.01 -1.48 0.13 0.00 0.00 0.00 0.00 33.22 32.89 2da6 n MET 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2da6 n ASP 91 N -0.07 -2.76 -0.05 3.17 9.92 -1.10 -4.82 116.55 120.83 2da6 n ASP 91 Ca 0.15 -0.24 0.03 0.00 -0.53 0.00 0.00 54.79 54.20 2da6 n ASP 91 Cb 0.38 -0.78 0.38 0.00 -0.64 0.00 0.00 41.12 40.47 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2da6 h ALA 92 N -2.26 1.65 -1.64 2.24 0.00 -1.93 -3.39 119.26 113.93 2da6 h ALA 92 Ca -0.34 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 2da6 h ALA 92 Cb 0.99 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2da6 h ALA 92 CO 0.22 0.32 0.93 -0.47 0.00 0.00 0.00 179.25 180.26 2da6 s TYR 93 N -5.58 2.68 -0.32 0.00 5.04 -1.26 -4.95 117.35 112.96 2da6 s TYR 93 Ca -0.09 0.47 -0.31 0.00 -2.44 0.00 0.00 57.07 54.70 2da6 s TYR 93 Cb 0.18 -4.45 -0.09 0.00 0.35 0.00 0.00 41.96 37.94 2da6 s TYR 93 CO 0.74 -1.47 2.24 0.43 -1.34 0.00 0.00 175.55 176.15 2da6 n SER 94 N 8.18 2.58 -4.95 4.32 7.64 -1.26 -4.89 113.62 125.24 2da6 n SER 94 Ca 0.09 0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.98 2da6 n SER 94 Cb 0.49 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 2da6 n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2da6 s SER 95 N 8.22 6.24 -0.09 6.43 1.04 -1.26 -5.10 113.70 129.17 2da6 s SER 95 Ca 1.06 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 57.70 2da6 s SER 95 Cb -0.59 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 2da6 s SER 95 CO 0.41 -0.28 0.16 0.54 0.98 0.00 0.00 173.24 175.05 2da6 s ASN 96 N -4.05 6.40 0.02 7.02 2.20 -1.26 -5.07 114.94 120.20 2da6 s ASN 96 Ca 0.39 0.46 0.07 0.00 -0.94 0.00 0.00 52.86 52.84 2da6 s ASN 96 Cb -0.09 -2.06 -0.03 0.00 -2.00 0.00 0.00 41.25 37.07 2da6 s ASN 96 CO 0.34 0.38 -0.21 -0.55 -2.94 0.00 0.00 177.10 174.11 2da6 s SER 97 N -1.22 3.53 0.41 3.54 0.15 -1.26 -5.06 113.70 113.79 2da6 s SER 97 Ca 0.18 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2da6 s SER 97 Cb -0.12 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2da6 s SER 97 CO 0.07 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2da6 n GLY 98 N 1.90 -2.24 0.13 9.45 0.00 -1.26 -4.52 105.19 108.64 2da6 n GLY 98 Ca -0.16 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 2da6 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 99 N -1.35 0.32 -6.98 1.61 0.13 -2.08 -3.44 132.00 120.20 2da6 h PRO 99 Ca -0.04 -0.17 -0.45 0.00 -0.87 0.00 0.00 66.00 64.47 2da6 h PRO 99 Cb 1.35 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2da6 h PRO 99 CO 0.03 0.71 0.28 -1.54 -0.23 0.00 0.00 178.00 177.26 2da6 s SER 100 N -6.08 6.90 0.04 1.44 1.04 -1.26 -5.08 113.70 110.70 2da6 s SER 100 Ca -0.14 1.60 0.01 0.00 0.48 0.00 0.00 55.95 57.90 2da6 s SER 100 Cb 0.05 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2da6 s SER 100 CO 0.74 -0.32 -0.06 -0.44 0.98 0.00 0.00 173.24 174.14 2da6 s SER 101 N -2.20 0.67 0.00 7.02 0.01 -1.26 -4.80 113.70 113.14 2da6 s SER 101 Ca 0.60 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2da6 s SER 101 Cb -0.09 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2da6 s SER 101 CO 0.14 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.15