#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 s VAL 9 N 0.00 2.59 -0.14 0.52 1.01 -1.26 -5.12 120.40 118.00 2dd5 s VAL 9 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2dd5 s VAL 9 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2dd5 s VAL 9 CO 0.00 0.58 -0.03 0.26 0.00 0.00 0.00 175.10 175.91 2dd5 s TRP 10 N -0.68 3.04 -1.30 5.22 0.52 -1.26 -5.03 118.94 119.45 2dd5 s TRP 10 Ca 0.11 -0.19 -0.18 0.00 0.02 0.00 0.00 56.10 55.86 2dd5 s TRP 10 Cb -0.10 -1.92 0.07 0.00 -1.15 0.00 0.00 33.47 30.37 2dd5 s TRP 10 CO -0.00 0.07 1.74 -3.47 0.02 0.00 0.00 176.95 175.31 2dd5 n ASP 11 N 3.23 4.93 0.00 2.95 2.03 -1.26 -4.80 116.55 123.63 2dd5 n ASP 11 Ca -0.18 -2.92 0.05 0.00 0.52 0.00 0.00 54.79 52.27 2dd5 n ASP 11 Cb 0.53 -1.75 0.32 0.00 -0.72 0.00 0.00 41.12 39.50 2dd5 n ASP 11 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dd5 n ARG 12 N 8.32 0.34 -0.00 -0.67 1.74 -1.26 -2.71 116.66 122.42 2dd5 n ARG 12 Ca 0.49 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.63 2dd5 n ARG 12 Cb 0.46 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 2dd5 n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dd5 n THR 13 N -1.00 0.00 -0.08 0.55 -2.24 -1.26 -4.74 114.28 105.50 2dd5 n THR 13 Ca 0.08 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2dd5 n THR 13 Cb 0.04 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 2dd5 n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dd5 h HIS 14 N 0.00 -1.50 -0.27 4.78 6.17 -1.93 -1.24 115.15 121.16 2dd5 h HIS 14 Ca 0.00 0.07 0.05 0.00 0.71 0.00 0.00 60.37 61.20 2dd5 h HIS 14 Cb 0.40 0.69 -0.05 0.00 2.52 0.00 0.00 27.41 30.97 2dd5 h HIS 14 CO 0.00 -0.46 -0.08 1.25 0.71 0.00 0.00 177.93 179.35 2dd5 h HIS 15 N -0.43 -0.18 -0.76 5.26 6.17 -1.85 -2.29 115.15 121.08 2dd5 h HIS 15 Ca 0.05 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 2dd5 h HIS 15 Cb 0.56 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 30.58 2dd5 h HIS 15 CO -0.66 -0.13 0.41 0.00 0.71 0.00 0.00 177.93 178.26 2dd5 h ALA 16 N 1.23 1.30 -0.35 5.26 0.00 -1.82 -0.62 119.26 124.27 2dd5 h ALA 16 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2dd5 h ALA 16 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2dd5 h ALA 16 CO -0.29 0.57 -0.05 0.87 0.00 0.00 0.00 179.25 180.35 2dd5 h LYS 17 N 1.06 0.56 0.00 0.00 1.57 -0.69 -0.89 116.57 118.18 2dd5 h LYS 17 Ca 0.27 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2dd5 h LYS 17 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2dd5 h LYS 17 CO -0.04 0.62 -1.18 0.00 -0.57 0.00 0.00 179.45 178.28 2dd5 n MET 18 N -4.24 0.32 -0.02 3.15 0.00 -0.94 -4.45 117.12 110.94 2dd5 n MET 18 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 57.70 57.74 2dd5 n MET 18 Cb 0.28 -1.58 -0.13 0.00 0.00 0.00 0.00 33.22 31.79 2dd5 n MET 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dd5 n ALA 19 N -1.87 2.42 -1.69 3.17 0.00 -0.26 -4.80 120.51 117.48 2dd5 n ALA 19 Ca 0.01 -0.54 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 2dd5 n ALA 19 Cb 0.45 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 2dd5 n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dd5 n THR 20 N -2.20 0.70 -0.84 0.00 -1.04 -0.35 -0.06 114.28 110.49 2dd5 n THR 20 Ca -0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2dd5 n THR 20 Cb 0.57 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2dd5 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dd5 n GLY 21 N 2.56 0.47 1.29 3.41 0.00 -1.26 -4.70 105.19 106.96 2dd5 n GLY 21 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2dd5 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dd5 n ILE 22 N -2.16 0.03 0.00 -0.61 5.41 -0.34 -5.16 119.36 116.54 2dd5 n ILE 22 Ca 0.00 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2dd5 n ILE 22 Cb 0.06 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 2dd5 n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dd5 n GLY 23 N 2.58 1.58 3.18 7.39 0.00 0.91 -4.66 105.19 116.18 2dd5 n GLY 23 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 2dd5 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dd5 s ASP 24 N 0.00 2.81 -0.01 1.61 -1.08 -1.26 -0.41 116.67 118.33 2dd5 s ASP 24 Ca 0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 2dd5 s ASP 24 Cb 0.00 -1.25 0.17 0.00 -1.46 0.00 0.00 42.92 40.38 2dd5 s ASP 24 CO 0.00 0.14 1.09 -0.81 0.52 0.00 0.00 175.17 176.11 2dd5 n PRO 25 N 3.54 1.51 -0.03 4.34 -0.04 -1.26 -4.95 135.00 138.11 2dd5 n PRO 25 Ca -0.20 -0.69 0.14 0.00 -0.04 0.00 0.00 63.50 62.72 2dd5 n PRO 25 Cb 0.53 -1.22 0.57 0.00 -0.04 0.00 0.00 33.50 33.33 2dd5 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dd5 h GLN 26 N 1.08 0.25 0.00 0.54 7.50 -1.78 -0.68 115.11 122.01 2dd5 h GLN 26 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2dd5 h GLN 26 Cb 0.34 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.81 2dd5 h GLN 26 CO 0.02 0.16 0.00 0.00 -1.50 0.00 0.00 178.83 177.51 2dd5 n PHE 28 N -1.49 0.12 -1.64 0.00 3.72 -0.26 -5.00 117.46 112.90 2dd5 n PHE 28 Ca 0.02 -0.08 -0.46 0.00 -0.05 0.00 0.00 57.45 56.88 2dd5 n PHE 28 Cb 0.11 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 2dd5 n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dd5 n LYS 29 N 0.99 1.76 0.00 -1.08 4.81 -0.87 -1.92 118.16 121.86 2dd5 n LYS 29 Ca 0.11 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2dd5 n LYS 29 Cb 0.45 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2dd5 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dd5 n GLY 30 N 2.08 2.79 0.01 3.14 0.00 -1.26 -4.87 105.19 107.08 2dd5 n GLY 30 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2dd5 n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dd5 n MET 31 N -2.00 0.23 0.03 1.61 2.81 -0.81 -3.53 117.12 115.46 2dd5 n MET 31 Ca 0.00 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 2dd5 n MET 31 Cb 0.00 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.11 2dd5 n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dd5 n ALA 32 N -1.37 3.40 0.00 3.04 0.00 -1.26 -4.55 120.51 119.77 2dd5 n ALA 32 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2dd5 n ALA 32 Cb 0.29 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2dd5 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dd5 n GLY 33 N 1.40 -0.54 3.71 0.00 0.00 -1.23 -4.80 105.19 103.73 2dd5 n GLY 33 Ca 0.03 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2dd5 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dd5 s LYS 34 N 0.00 4.59 0.46 1.61 2.20 -1.26 -4.99 119.74 122.36 2dd5 s LYS 34 Ca 0.00 1.44 -0.24 0.00 -0.36 0.00 0.00 55.97 56.80 2dd5 s LYS 34 Cb 0.00 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 2dd5 s LYS 34 CO 0.00 0.01 1.31 -1.54 -0.36 0.00 0.00 175.35 174.78 2dd5 s SER 35 N 0.75 5.94 0.29 1.43 1.04 -1.26 -4.92 113.70 116.97 2dd5 s SER 35 Ca 0.51 2.66 0.15 0.00 0.48 0.00 0.00 55.95 59.76 2dd5 s SER 35 Cb -0.22 -2.63 0.09 0.00 0.10 0.00 0.00 66.02 63.36 2dd5 s SER 35 CO 0.29 -1.10 1.46 0.50 0.98 0.00 0.00 173.24 175.36 2dd5 h LYS 36 N 2.19 0.00 -5.17 4.02 3.64 -1.96 -3.46 116.57 115.82 2dd5 h LYS 36 Ca -0.50 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.45 2dd5 h LYS 36 Cb 1.26 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 2dd5 h LYS 36 CO 0.60 0.47 -0.64 -0.06 -2.27 0.00 0.00 179.45 177.56 2dd5 s PHE 37 N -2.98 1.76 0.15 1.91 0.08 -1.26 -5.11 117.98 112.53 2dd5 s PHE 37 Ca 0.04 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.17 2dd5 s PHE 37 Cb 0.07 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 2dd5 s PHE 37 CO 0.74 -0.01 -0.02 -0.80 -0.10 0.00 0.00 175.22 175.03 2dd5 s ASN 38 N -3.39 1.18 0.26 1.36 -0.87 -1.26 -5.06 114.94 107.15 2dd5 s ASN 38 Ca 0.33 -1.13 -0.30 0.00 -1.57 0.00 0.00 52.86 50.19 2dd5 s ASN 38 Cb 0.07 0.11 -0.14 0.00 -0.02 0.00 0.00 41.25 41.27 2dd5 s ASN 38 CO 0.12 -0.54 1.18 0.52 -2.57 0.00 0.00 177.10 175.81 2dd5 n VAL 39 N -0.19 1.48 0.00 1.60 0.31 -1.26 -1.57 118.33 118.70 2dd5 n VAL 39 Ca -0.08 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2dd5 n VAL 39 Cb 0.63 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2dd5 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dd5 n GLY 40 N 1.58 3.34 3.77 2.92 0.00 0.17 -4.99 105.19 111.97 2dd5 n GLY 40 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2dd5 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dd5 s ASP 41 N -0.73 6.33 -0.14 1.61 1.01 -0.61 -4.70 116.67 119.44 2dd5 s ASP 41 Ca 0.00 2.50 -0.18 0.00 0.71 0.00 0.00 52.55 55.57 2dd5 s ASP 41 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2dd5 s ASP 41 CO 0.00 -0.82 0.48 -0.13 0.21 0.00 0.00 175.17 174.91 2dd5 s ARG 42 N -2.34 4.29 0.05 8.23 1.81 -1.26 -1.63 118.95 128.10 2dd5 s ARG 42 Ca 0.58 0.43 0.03 0.00 -1.72 0.00 0.00 55.73 55.05 2dd5 s ARG 42 Cb -0.34 -3.47 -0.02 0.00 -0.45 0.00 0.00 34.95 30.66 2dd5 s ARG 42 CO 0.43 0.07 -0.10 0.14 -0.68 0.00 0.00 175.30 175.16 2dd5 s VAL 43 N 0.91 0.73 -0.05 3.52 -7.23 -0.48 -0.86 120.40 116.93 2dd5 s VAL 43 Ca 0.25 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2dd5 s VAL 43 Cb -0.15 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 2dd5 s VAL 43 CO 0.10 -0.28 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.93 2dd5 s ARG 44 N -1.49 2.68 -0.21 4.82 3.52 -0.35 -0.51 118.95 127.42 2dd5 s ARG 44 Ca -0.06 -0.60 -0.27 0.00 -0.13 0.00 0.00 55.73 54.68 2dd5 s ARG 44 Cb -0.09 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.75 2dd5 s ARG 44 CO 0.01 0.65 0.91 0.42 -0.81 0.00 0.00 175.30 176.48 2dd5 s ILE 45 N -0.83 4.79 0.17 4.11 -1.09 -0.29 -2.48 121.20 125.58 2dd5 s ILE 45 Ca 0.13 1.77 -0.30 0.00 -2.23 0.00 0.00 60.65 60.02 2dd5 s ILE 45 Cb -0.11 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.50 2dd5 s ILE 45 CO 0.02 -0.08 1.06 -0.54 -1.23 0.00 0.00 174.94 174.18 2dd5 s LYS 46 N 2.72 4.63 -1.32 2.79 1.02 0.84 -0.42 119.74 130.01 2dd5 s LYS 46 Ca 0.40 1.65 -0.12 0.00 0.02 0.00 0.00 55.97 57.92 2dd5 s LYS 46 Cb -0.16 -3.30 0.13 0.00 -0.52 0.00 0.00 37.83 33.98 2dd5 s LYS 46 CO 0.09 0.13 1.88 -3.47 -0.92 0.00 0.00 175.35 173.06 2dd5 n ASP 47 N 2.41 4.79 -4.81 2.83 2.03 -1.26 -4.78 116.55 117.76 2dd5 n ASP 47 Ca 0.02 -3.00 -0.33 0.00 0.52 0.00 0.00 54.79 52.00 2dd5 n ASP 47 Cb 0.47 -1.56 -0.00 0.00 -0.72 0.00 0.00 41.12 39.30 2dd5 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dd5 s LEU 48 N 1.11 3.55 0.31 -2.67 1.43 -1.26 -4.98 118.68 116.16 2dd5 s LEU 48 Ca 0.43 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 2dd5 s LEU 48 Cb 0.08 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 2dd5 s LEU 48 CO -0.01 -0.99 1.29 -2.65 0.23 0.00 0.00 176.35 174.22 2dd5 n PRO 49 N -1.87 2.03 0.00 1.29 -0.02 -1.26 -4.93 135.00 130.25 2dd5 n PRO 49 Ca 0.08 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 2dd5 n PRO 49 Cb 0.53 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 2dd5 n PRO 49 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dd5 n ASP 50 N 1.17 2.05 -3.69 2.55 10.43 -1.26 -5.01 116.55 122.79 2dd5 n ASP 50 Ca 0.07 -1.52 -0.52 0.00 2.57 0.00 0.00 54.79 55.38 2dd5 n ASP 50 Cb 0.34 0.17 -0.08 0.00 1.84 0.00 0.00 41.12 43.40 2dd5 n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2dd5 n LEU 51 N 0.52 0.80 0.00 0.64 7.94 -1.26 -1.46 117.00 124.17 2dd5 n LEU 51 Ca 0.08 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2dd5 n LEU 51 Cb 0.37 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2dd5 n LEU 51 CO 0.13 -0.79 0.00 0.49 -1.11 0.00 0.00 177.39 176.12 2dd5 n PHE 52 N 2.83 0.00 -3.59 1.96 3.72 -1.26 -4.88 117.46 116.25 2dd5 n PHE 52 Ca 0.23 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.54 2dd5 n PHE 52 Cb -0.03 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 2dd5 n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dd5 s TYR 53 N 0.00 -0.32 -0.25 1.38 5.04 -0.54 -5.17 117.35 117.50 2dd5 s TYR 53 Ca 0.00 0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 54.87 2dd5 s TYR 53 Cb 0.00 0.46 0.17 0.00 0.35 0.00 0.00 41.96 42.94 2dd5 s TYR 53 CO 0.00 -0.29 1.25 -0.08 -1.34 0.00 0.00 175.55 175.09 2dd5 s THR 54 N -1.11 0.00 -0.09 4.34 -1.32 -1.26 -4.79 115.64 111.41 2dd5 s THR 54 Ca -0.00 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 2dd5 s THR 54 Cb -0.01 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.18 2dd5 s THR 54 CO 0.00 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 174.04 2dd5 n ARG 55 N 0.51 1.49 -3.54 7.08 1.74 -1.26 -4.88 116.66 117.80 2dd5 n ARG 55 Ca -0.03 -2.18 -0.41 0.00 -0.77 0.00 0.00 57.85 54.47 2dd5 n ARG 55 Cb 0.59 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.67 2dd5 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dd5 s THR 56 N -2.19 4.47 0.26 0.55 2.01 -1.26 -5.02 115.64 114.46 2dd5 s THR 56 Ca 0.22 -2.41 -0.27 0.00 0.31 0.00 0.00 61.69 59.55 2dd5 s THR 56 Cb 0.19 -3.86 -0.16 0.00 0.01 0.00 0.00 72.50 68.68 2dd5 s THR 56 CO 0.02 -0.89 0.59 0.23 -0.69 0.00 0.00 174.62 173.88 2dd5 n MET 57 N 4.13 0.35 -0.20 4.92 2.81 -1.26 -4.88 117.12 122.98 2dd5 n MET 57 Ca 0.04 0.12 0.06 0.00 -1.81 0.00 0.00 57.70 56.11 2dd5 n MET 57 Cb 0.41 -1.23 0.33 0.00 -0.71 0.00 0.00 33.22 32.03 2dd5 n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dd5 h THR 58 N 1.14 1.03 0.00 2.03 2.02 -1.99 -2.24 112.91 114.90 2dd5 h THR 58 Ca -0.32 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2dd5 h THR 58 Cb 1.42 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2dd5 h THR 58 CO 0.56 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.60 2dd5 n TYR 59 N -4.48 0.31 0.55 3.16 0.18 -1.26 -2.06 117.16 113.56 2dd5 n TYR 59 Ca 0.11 0.15 0.11 0.00 1.88 0.00 0.00 57.90 60.15 2dd5 n TYR 59 Cb 0.22 -0.74 -0.09 0.00 -0.38 0.00 0.00 39.34 38.35 2dd5 n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dd5 n THR 60 N -1.81 0.05 -1.68 -3.48 -2.24 -0.84 -4.90 114.28 99.37 2dd5 n THR 60 Ca 0.01 -0.23 -0.45 0.00 -2.27 0.00 0.00 64.05 61.11 2dd5 n THR 60 Cb 0.07 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2dd5 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dd5 n ARG 61 N -1.87 2.39 -0.80 -0.78 5.12 -0.88 -1.75 116.66 118.09 2dd5 n ARG 61 Ca 0.01 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2dd5 n ARG 61 Cb 0.44 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.06 2dd5 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd5 n GLY 62 N 3.76 1.33 3.89 -0.13 0.00 0.44 -4.98 105.19 109.51 2dd5 n GLY 62 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2dd5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dd5 s ALA 63 N -3.71 3.57 -0.09 4.61 0.00 -0.72 -4.73 121.76 120.69 2dd5 s ALA 63 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2dd5 s ALA 63 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 2dd5 s ALA 63 CO 0.00 0.24 -0.02 0.99 0.00 0.00 0.00 175.76 176.96 2dd5 s THR 64 N -2.09 4.08 0.15 0.00 2.01 -1.26 -1.14 115.64 117.38 2dd5 s THR 64 Ca 0.46 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2dd5 s THR 64 Cb -0.11 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2dd5 s THR 64 CO 0.29 0.59 0.14 0.61 -0.69 0.00 0.00 174.62 175.57 2dd5 n GLY 65 N 2.30 3.37 3.21 4.40 0.00 0.34 -4.67 105.19 114.15 2dd5 n GLY 65 Ca -0.18 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 2dd5 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dd5 s THR 66 N -2.61 1.98 -0.01 2.61 2.01 -0.57 -1.38 115.64 117.67 2dd5 s THR 66 Ca 0.17 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2dd5 s THR 66 Cb 0.01 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2dd5 s THR 66 CO 0.12 0.54 1.25 -0.63 -0.69 0.00 0.00 174.62 175.21 2dd5 s ILE 67 N 0.27 4.06 -0.40 1.82 1.01 -0.65 -1.04 121.20 126.27 2dd5 s ILE 67 Ca -0.16 1.43 0.06 0.00 0.00 0.00 0.00 60.65 61.97 2dd5 s ILE 67 Cb -0.17 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2dd5 s ILE 67 CO 0.08 0.03 0.36 1.33 0.00 0.00 0.00 174.94 176.73 2dd5 n VAL 68 N 4.44 0.00 -3.64 2.92 0.24 -0.19 0.43 118.33 122.52 2dd5 n VAL 68 Ca 0.11 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.34 61.95 2dd5 n VAL 68 Cb 0.46 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 2dd5 n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dd5 s ARG 69 N -1.24 0.27 -0.68 7.34 3.52 -1.22 -4.90 118.95 122.04 2dd5 s ARG 69 Ca 0.03 0.34 -0.19 0.00 -0.13 0.00 0.00 55.73 55.79 2dd5 s ARG 69 Cb 0.04 0.12 0.12 0.00 -1.56 0.00 0.00 34.95 33.67 2dd5 s ARG 69 CO 0.18 -0.03 0.80 -0.51 -0.81 0.00 0.00 175.30 174.93 2dd5 s LEU 70 N 0.27 5.41 0.20 -0.88 1.02 -1.26 -0.71 118.68 122.73 2dd5 s LEU 70 Ca 0.04 -1.63 -0.07 0.00 0.02 0.00 0.00 54.13 52.48 2dd5 s LEU 70 Cb -0.05 -2.32 0.14 0.00 0.02 0.00 0.00 46.19 43.99 2dd5 s LEU 70 CO -0.11 -1.08 1.65 -0.37 0.02 0.00 0.00 176.35 176.46 2dd5 h VAL 71 N 5.79 1.26 0.00 -1.59 -1.51 -1.76 -3.49 116.25 114.95 2dd5 h VAL 71 Ca -0.18 -1.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2dd5 h VAL 71 Cb 1.07 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2dd5 h VAL 71 CO 1.07 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 177.83 2dd5 n TYR 72 N -4.16 0.00 -4.79 5.19 0.18 -1.25 -5.04 117.16 107.30 2dd5 n TYR 72 Ca 0.02 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.49 2dd5 n TYR 72 Cb 0.38 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.20 2dd5 n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dd5 s GLU 73 N -1.71 2.12 -0.20 -3.48 2.02 -1.26 -1.18 118.70 115.01 2dd5 s GLU 73 Ca 0.00 -0.94 -0.36 0.00 0.02 0.00 0.00 54.97 53.69 2dd5 s GLU 73 Cb 0.00 -2.19 0.14 0.00 0.10 0.00 0.00 34.13 32.19 2dd5 s GLU 73 CO 0.00 0.55 1.24 0.45 0.02 0.00 0.00 175.26 177.53 2dd5 s SER 74 N -1.22 -0.11 0.59 -0.19 0.15 -0.58 -4.59 113.70 107.75 2dd5 s SER 74 Ca 0.13 -0.00 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 2dd5 s SER 74 Cb -0.10 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 2dd5 s SER 74 CO 0.04 -0.19 1.13 -2.84 1.20 0.00 0.00 173.24 172.57 2dd5 s PRO 75 N -2.35 3.09 0.52 5.44 0.02 -1.26 -1.15 135.00 139.33 2dd5 s PRO 75 Ca 0.10 1.54 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 2dd5 s PRO 75 Cb -0.01 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2dd5 s PRO 75 CO -0.04 -1.04 1.24 0.00 -0.33 0.00 0.00 177.00 176.82 2dd5 s ALA 76 N -1.99 2.81 0.42 -1.55 0.00 -1.26 -4.78 121.76 115.40 2dd5 s ALA 76 Ca 0.71 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.83 2dd5 s ALA 76 Cb -0.23 -3.46 0.88 0.00 0.00 0.00 0.00 23.12 20.32 2dd5 s ALA 76 CO 0.33 -1.02 2.05 0.00 0.00 0.00 0.00 175.76 177.12 2dd5 h ALA 77 N 1.54 1.70 -0.10 0.00 0.00 -1.98 0.20 119.26 120.63 2dd5 h ALA 77 Ca -0.50 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.38 2dd5 h ALA 77 Cb 1.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dd5 h ALA 77 CO 0.58 0.26 0.11 0.93 0.00 0.00 0.00 179.25 181.13 2dd5 h GLU 78 N 0.46 0.00 0.01 0.00 3.07 -1.90 -0.35 114.58 115.87 2dd5 h GLU 78 Ca 0.12 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.58 2dd5 h GLU 78 Cb 0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 2dd5 h GLU 78 CO -0.02 0.00 -2.37 -0.25 -1.40 0.00 0.00 179.01 174.97 2dd5 n ASP 79 N -3.80 1.98 -0.27 1.42 8.00 -0.18 -4.45 116.55 119.25 2dd5 n ASP 79 Ca -0.01 0.11 0.03 0.00 0.71 0.00 0.00 54.79 55.63 2dd5 n ASP 79 Cb 0.22 -0.64 0.24 0.00 -0.02 0.00 0.00 41.12 40.91 2dd5 n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dd5 h GLU 80 N -0.42 1.01 0.00 -1.24 4.81 -0.79 -0.38 114.58 117.56 2dd5 h GLU 80 Ca -0.59 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2dd5 h GLU 80 Cb 1.77 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.92 2dd5 h GLU 80 CO -0.20 0.67 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 2dd5 n ALA 81 N -2.41 1.35 -1.24 2.92 0.00 -0.16 -2.12 120.51 118.85 2dd5 n ALA 81 Ca 0.11 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.72 2dd5 n ALA 81 Cb 0.13 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.46 2dd5 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dd5 n PHE 82 N -1.95 0.00 -1.17 0.00 3.72 -0.68 -4.99 117.46 112.39 2dd5 n PHE 82 Ca 0.01 -1.00 -0.06 0.00 -0.05 0.00 0.00 57.45 56.35 2dd5 n PHE 82 Cb 0.12 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 2dd5 n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dd5 n GLY 83 N -1.26 0.82 3.12 1.37 0.00 -0.90 -5.01 105.19 103.32 2dd5 n GLY 83 Ca 0.15 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 2dd5 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dd5 s ASN 84 N -2.94 5.27 -0.09 1.61 0.02 -0.24 -4.91 114.94 113.67 2dd5 s ASN 84 Ca 0.00 -2.08 0.13 0.00 -1.02 0.00 0.00 52.86 49.89 2dd5 s ASN 84 Cb 0.00 -1.84 0.34 0.00 0.02 0.00 0.00 41.25 39.77 2dd5 s ASN 84 CO 0.00 -0.54 1.26 -0.62 0.02 0.00 0.00 177.10 177.22 2dd5 n GLU 85 N 4.54 2.66 0.14 -0.60 1.02 -1.26 -3.24 120.64 123.90 2dd5 n GLU 85 Ca -0.02 -2.35 0.03 0.00 -0.02 0.00 0.00 57.16 54.80 2dd5 n GLU 85 Cb 0.41 -1.48 0.40 0.00 -0.02 0.00 0.00 31.44 30.75 2dd5 n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dd5 h GLU 86 N 1.32 0.18 -5.84 3.49 4.11 -1.97 -3.43 114.58 112.45 2dd5 h GLU 86 Ca 0.00 -0.04 -0.67 0.00 0.07 0.00 0.00 59.36 58.72 2dd5 h GLU 86 Cb 1.01 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.03 2dd5 h GLU 86 CO 0.08 0.35 -0.69 -0.80 0.07 0.00 0.00 179.01 178.02 2dd5 s ASN 87 N -6.90 4.64 0.00 3.06 0.01 -1.26 -5.11 114.94 109.37 2dd5 s ASN 87 Ca -0.05 -0.07 0.07 0.00 -0.71 0.00 0.00 52.86 52.10 2dd5 s ASN 87 Cb 0.15 -1.38 -0.02 0.00 0.41 0.00 0.00 41.25 40.41 2dd5 s ASN 87 CO 0.73 0.29 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.69 2dd5 s VAL 88 N -0.39 1.81 0.14 1.60 1.01 -1.26 -4.05 120.40 119.26 2dd5 s VAL 88 Ca 0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2dd5 s VAL 88 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2dd5 s VAL 88 CO 0.02 0.42 0.07 -1.83 0.00 0.00 0.00 175.10 173.79 2dd5 s GLU 89 N -0.77 0.96 0.30 2.72 -1.05 -0.30 -4.26 118.70 116.31 2dd5 s GLU 89 Ca 0.09 -1.45 -0.28 0.00 -0.15 0.00 0.00 54.97 53.18 2dd5 s GLU 89 Cb -0.09 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 2dd5 s GLU 89 CO 0.00 -0.28 1.04 -1.58 0.95 0.00 0.00 175.26 175.39 2dd5 s TRP 90 N -4.05 3.61 -0.10 4.83 0.52 -1.26 -1.53 118.94 120.96 2dd5 s TRP 90 Ca 0.25 1.74 -0.01 0.00 0.02 0.00 0.00 56.10 58.10 2dd5 s TRP 90 Cb 0.07 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2dd5 s TRP 90 CO 0.03 -0.28 -0.04 -0.06 0.02 0.00 0.00 176.95 176.61 2dd5 s PHE 91 N -1.31 3.01 0.05 -1.98 0.40 -0.33 -1.15 117.98 116.67 2dd5 s PHE 91 Ca 0.47 -0.05 0.09 0.00 -0.60 0.00 0.00 56.93 56.84 2dd5 s PHE 91 Cb -0.27 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2dd5 s PHE 91 CO 0.35 0.24 -0.26 0.71 0.70 0.00 0.00 175.22 176.95 2dd5 s TYR 92 N -0.43 2.27 -0.28 0.36 2.02 -0.59 -2.03 117.35 118.67 2dd5 s TYR 92 Ca 0.07 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.23 2dd5 s TYR 92 Cb -0.12 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 2dd5 s TYR 92 CO 0.02 0.13 0.30 0.45 -1.57 0.00 0.00 175.55 174.88 2dd5 s SER 93 N -1.25 6.15 -0.04 2.29 0.15 0.11 -0.57 113.70 120.54 2dd5 s SER 93 Ca 0.11 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.90 2dd5 s SER 93 Cb -0.10 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2dd5 s SER 93 CO 0.02 -0.15 -0.12 -0.63 1.20 0.00 0.00 173.24 173.56 2dd5 s ILE 94 N 1.94 3.27 -0.18 6.45 1.09 0.07 -1.03 121.20 132.81 2dd5 s ILE 94 Ca 0.11 -0.69 -0.04 0.00 -1.10 0.00 0.00 60.65 58.93 2dd5 s ILE 94 Cb -0.16 -2.31 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 2dd5 s ILE 94 CO 0.11 0.56 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.79 2dd5 s VAL 95 N -0.79 3.80 0.01 2.92 1.01 -0.21 -1.86 120.40 125.28 2dd5 s VAL 95 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2dd5 s VAL 95 Cb -0.11 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2dd5 s VAL 95 CO 0.02 0.46 -0.11 -0.36 0.00 0.00 0.00 175.10 175.11 2dd5 s PHE 96 N 0.75 2.78 0.05 5.22 0.08 0.65 -1.51 117.98 126.00 2dd5 s PHE 96 Ca -0.01 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 2dd5 s PHE 96 Cb -0.14 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2dd5 s PHE 96 CO 0.02 0.32 0.98 0.00 -0.10 0.00 0.00 175.22 176.44 2dd5 s ALA 97 N -0.95 3.21 0.36 5.36 0.00 -1.26 -0.79 121.76 127.68 2dd5 s ALA 97 Ca 0.16 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.78 2dd5 s ALA 97 Cb -0.11 -3.32 0.84 0.00 0.00 0.00 0.00 23.12 20.53 2dd5 s ALA 97 CO 0.06 -0.15 1.87 1.96 0.00 0.00 0.00 175.76 179.50 2dd5 h GLN 98 N 6.27 0.65 0.00 0.00 1.08 -1.59 -0.35 115.11 121.17 2dd5 h GLN 98 Ca -0.42 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2dd5 h GLN 98 Cb 1.22 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2dd5 h GLN 98 CO 0.74 0.43 0.00 1.57 -0.95 0.00 0.00 178.83 180.62 2dd5 h LYS 99 N 0.67 0.00 0.00 1.46 2.10 -1.82 -1.15 116.57 117.83 2dd5 h LYS 99 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2dd5 h LYS 99 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2dd5 h LYS 99 CO -0.20 0.00 -0.43 -0.25 -2.00 0.00 0.00 179.45 176.57 2dd5 n ASP 100 N -2.95 0.63 -0.13 7.07 8.00 -0.15 -4.16 116.55 124.87 2dd5 n ASP 100 Ca -0.01 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.43 2dd5 n ASP 100 Cb 0.18 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.10 2dd5 n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dd5 n LEU 101 N -2.00 2.37 -4.21 0.64 4.77 -0.62 -4.89 117.00 113.08 2dd5 n LEU 101 Ca 0.04 0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.84 2dd5 n LEU 101 Cb 0.41 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 2dd5 n LEU 101 CO 0.34 0.71 -0.40 0.26 -1.33 0.00 0.00 177.39 176.98 2dd5 s TRP 102 N -2.51 3.09 0.46 -1.77 0.52 -0.54 -5.01 118.94 113.19 2dd5 s TRP 102 Ca -0.36 -1.55 0.20 0.00 0.02 0.00 0.00 56.10 54.41 2dd5 s TRP 102 Cb 0.12 -2.07 1.18 0.00 -1.15 0.00 0.00 33.47 31.54 2dd5 s TRP 102 CO 0.55 -0.73 1.92 -1.35 0.02 0.00 0.00 176.95 177.37 2dd5 h PRO 103 N 8.02 0.27 -0.00 4.98 0.11 -1.87 -2.04 132.00 141.47 2dd5 h PRO 103 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2dd5 h PRO 103 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2dd5 h PRO 103 CO 0.57 0.18 -0.19 -0.85 -0.21 0.00 0.00 178.00 177.50 2dd5 n GLU 104 N -4.44 0.62 -1.65 1.05 0.00 -1.26 -4.93 120.64 110.04 2dd5 n GLU 104 Ca 0.15 -0.28 -0.48 0.00 0.00 0.00 0.00 57.16 56.55 2dd5 n GLU 104 Cb 0.62 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 30.52 2dd5 n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dd5 n TYR 105 N -0.94 2.04 -2.34 -1.84 9.36 -0.77 -4.90 117.16 117.76 2dd5 n TYR 105 Ca 0.12 0.38 -0.40 0.00 3.32 0.00 0.00 57.90 61.32 2dd5 n TYR 105 Cb 0.31 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.51 2dd5 n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dd5 s SER 106 N 0.77 7.07 0.57 2.98 0.15 -1.26 -4.92 113.70 119.05 2dd5 s SER 106 Ca 0.80 2.42 0.35 0.00 0.70 0.00 0.00 55.95 60.22 2dd5 s SER 106 Cb -0.76 -2.63 1.66 0.00 -1.71 0.00 0.00 66.02 62.57 2dd5 s SER 106 CO 0.41 -0.30 2.10 0.44 1.20 0.00 0.00 173.24 177.09 2dd5 h ASP 107 N 3.61 0.00 -0.02 5.45 3.32 -2.00 -2.23 116.42 124.55 2dd5 h ASP 107 Ca -0.48 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.58 2dd5 h ASP 107 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2dd5 h ASP 107 CO 0.66 0.04 0.02 0.74 -1.72 0.00 0.00 179.24 178.97 2dd5 h THR 108 N 0.00 0.92 -1.60 0.35 2.02 -2.01 -1.92 112.91 110.67 2dd5 h THR 108 Ca -0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 2dd5 h THR 108 Cb 0.35 0.99 -0.37 0.00 -1.74 0.00 0.00 68.15 67.38 2dd5 h THR 108 CO 0.00 0.00 -0.12 0.49 0.37 0.00 0.00 175.52 176.26 2dd5 n PHE 109 N -4.44 3.23 0.17 3.16 3.72 -0.84 -4.84 117.46 117.63 2dd5 n PHE 109 Ca -0.02 -2.81 0.07 0.00 -0.05 0.00 0.00 57.45 54.64 2dd5 n PHE 109 Cb 0.11 -0.49 0.36 0.00 -0.94 0.00 0.00 39.48 38.52 2dd5 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd5 n ALA 110 N -0.53 1.16 1.03 4.37 0.00 -0.73 -2.44 120.51 123.37 2dd5 n ALA 110 Ca 0.45 0.10 0.11 0.00 0.00 0.00 0.00 53.44 54.10 2dd5 n ALA 110 Cb 0.55 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.83 2dd5 n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dd5 n ASN 111 N -1.94 2.02 -4.77 0.00 3.02 -1.26 -4.94 115.26 107.39 2dd5 n ASN 111 Ca -0.00 -1.50 -0.40 0.00 -0.03 0.00 0.00 54.58 52.65 2dd5 n ASN 111 Cb 0.06 0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 2dd5 n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dd5 s ASP 112 N -2.44 6.53 0.27 6.41 1.11 -1.02 -4.96 116.67 122.57 2dd5 s ASP 112 Ca 0.20 2.72 0.03 0.00 0.18 0.00 0.00 52.55 55.68 2dd5 s ASP 112 Cb 0.18 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 2dd5 s ASP 112 CO 0.54 -0.70 0.18 0.42 1.18 0.00 0.00 175.17 176.79 2dd5 s THR 113 N -1.19 0.09 -0.02 -1.27 -4.23 -1.26 -1.54 115.64 106.22 2dd5 s THR 113 Ca 0.53 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2dd5 s THR 113 Cb -0.40 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2dd5 s THR 113 CO 0.53 0.00 0.02 -0.22 -0.54 0.00 0.00 174.62 174.40 2dd5 s LEU 114 N -3.28 1.19 -0.08 4.79 0.20 0.03 -4.81 118.68 116.71 2dd5 s LEU 114 Ca 0.39 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.26 2dd5 s LEU 114 Cb 0.05 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.68 2dd5 s LEU 114 CO 0.18 -0.11 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.21 2dd5 s GLU 115 N 0.96 2.83 0.20 1.98 2.12 -1.26 -0.25 118.70 125.27 2dd5 s GLU 115 Ca -0.09 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.23 2dd5 s GLU 115 Cb -0.12 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 32.00 2dd5 s GLU 115 CO -0.02 0.30 0.48 -0.08 -0.54 0.00 0.00 175.26 175.40 2dd5 s THR 116 N 0.04 0.03 -0.10 -1.70 -1.32 -0.77 -4.98 115.64 106.84 2dd5 s THR 116 Ca -0.09 -0.98 -0.05 0.00 -1.21 0.00 0.00 61.69 59.36 2dd5 s THR 116 Cb -0.15 -1.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 2dd5 s THR 116 CO 0.06 -0.14 0.09 -1.61 -2.21 0.00 0.00 174.62 170.82 2dd5 s GLU 117 N -3.91 3.28 -0.02 7.08 2.02 -1.26 -0.75 118.70 125.14 2dd5 s GLU 117 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2dd5 s GLU 117 Cb -0.00 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.20 2dd5 s GLU 117 CO -0.01 0.75 0.02 0.42 0.02 0.00 0.00 175.26 176.46 2dd5 s ILE 118 N -1.00 0.00 0.63 -1.63 1.01 0.26 -4.94 121.20 115.53 2dd5 s ILE 118 Ca 0.15 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 2dd5 s ILE 118 Cb -0.12 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 2dd5 s ILE 118 CO 0.04 0.07 1.12 -2.16 0.00 0.00 0.00 174.94 174.02 2dd5 s PRO 119 N 0.74 2.95 0.39 2.79 0.04 -1.26 -1.54 135.00 139.12 2dd5 s PRO 119 Ca -0.06 1.48 0.18 0.00 0.04 0.00 0.00 61.00 62.64 2dd5 s PRO 119 Cb -0.09 -1.96 1.09 0.00 0.04 0.00 0.00 34.50 33.58 2dd5 s PRO 119 CO -0.02 -1.15 1.77 1.49 0.04 0.00 0.00 177.00 179.13 2dd5 h GLU 120 N 0.39 0.39 -0.73 4.56 4.81 -1.48 -2.38 114.58 120.14 2dd5 h GLU 120 Ca -0.48 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 58.89 2dd5 h GLU 120 Cb 1.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2dd5 h GLU 120 CO 0.55 0.26 0.50 0.07 -0.73 0.00 0.00 179.01 179.65 2dd5 h ARG 121 N 0.40 0.29 -0.00 1.92 0.11 -1.91 -0.69 114.38 114.50 2dd5 h ARG 121 Ca 0.60 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.66 2dd5 h ARG 121 Cb 1.50 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.51 2dd5 h ARG 121 CO -0.31 0.19 -0.14 0.66 0.10 0.00 0.00 179.97 180.48 2dd5 n TYR 122 N -4.45 0.00 -3.77 4.08 4.02 -0.90 -4.90 117.16 111.25 2dd5 n TYR 122 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.67 2dd5 n TYR 122 Cb 0.59 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 2dd5 n TYR 122 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dd5 s LEU 123 N -2.57 4.39 -0.02 7.72 1.43 -0.27 -0.11 118.68 129.26 2dd5 s LEU 123 Ca 0.26 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2dd5 s LEU 123 Cb 0.20 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2dd5 s LEU 123 CO 0.50 0.32 0.06 -1.83 0.23 0.00 0.00 176.35 175.63 2dd5 s GLU 124 N -1.41 0.07 0.18 1.70 -1.05 -1.03 -4.94 118.70 112.22 2dd5 s GLU 124 Ca 0.23 0.08 -0.33 0.00 -0.15 0.00 0.00 54.97 54.80 2dd5 s GLU 124 Cb -0.13 0.04 -0.14 0.00 -0.44 0.00 0.00 34.13 33.45 2dd5 s GLU 124 CO 0.12 -0.01 1.42 1.17 0.95 0.00 0.00 175.26 178.91 2dd5 n LYS 125 N 3.04 1.81 0.00 -4.83 3.00 -1.26 -1.21 118.16 118.71 2dd5 n LYS 125 Ca -0.12 0.65 0.12 0.00 -0.00 0.00 0.00 58.31 58.96 2dd5 n LYS 125 Cb 0.60 -2.32 0.71 0.00 0.00 0.00 0.00 35.03 34.02 2dd5 n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40