#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 s PRO 8 N 0.00 2.96 -0.11 1.97 0.02 -1.26 -5.04 135.00 133.54 2dd5 s PRO 8 Ca 0.00 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.08 2dd5 s PRO 8 Cb 0.00 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 2dd5 s PRO 8 CO 0.00 -1.28 -0.16 0.08 -0.33 0.00 0.00 177.00 175.31 2dd5 s VAL 9 N -1.42 2.84 -0.23 3.83 1.01 -1.26 -5.11 120.40 120.07 2dd5 s VAL 9 Ca 0.76 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2dd5 s VAL 9 Cb -0.36 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2dd5 s VAL 9 CO 0.41 0.54 0.05 0.26 0.00 0.00 0.00 175.10 176.35 2dd5 s TRP 10 N 0.15 3.08 -0.55 5.22 0.52 -1.26 -5.04 118.94 121.06 2dd5 s TRP 10 Ca -0.08 -0.39 -0.27 0.00 0.02 0.00 0.00 56.10 55.37 2dd5 s TRP 10 Cb -0.15 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 29.98 2dd5 s TRP 10 CO 0.05 -0.27 1.72 0.34 0.02 0.00 0.00 176.95 178.81 2dd5 s ASP 11 N 1.29 5.61 0.00 2.95 -1.08 -1.26 -4.84 116.67 119.35 2dd5 s ASP 11 Ca 0.04 0.47 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 2dd5 s ASP 11 Cb -0.15 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 39.65 2dd5 s ASP 11 CO 0.03 -2.08 1.63 0.54 0.52 0.00 0.00 175.17 175.80 2dd5 n ARG 12 N 8.94 1.72 -0.00 4.34 1.74 -1.26 -3.98 116.66 128.15 2dd5 n ARG 12 Ca 0.18 -1.06 0.05 0.00 -0.77 0.00 0.00 57.85 56.25 2dd5 n ARG 12 Cb 0.50 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.29 0.00 0.00 0.55 -2.24 -1.26 -4.72 114.28 106.90 2dd5 n THR 13 Ca 0.17 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2dd5 n THR 13 Cb 0.35 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.83 -0.19 4.78 6.17 -1.99 -1.19 115.15 121.90 2dd5 h HIS 14 Ca 0.00 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 2dd5 h HIS 14 Cb 0.32 0.38 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 2dd5 h HIS 14 CO 0.00 -0.38 0.12 1.25 0.71 0.00 0.00 177.93 179.63 2dd5 h HIS 15 N -0.38 0.25 -0.74 5.26 6.17 -1.86 -2.05 115.15 121.81 2dd5 h HIS 15 Ca 0.10 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 2dd5 h HIS 15 Cb 0.53 -0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.34 2dd5 h HIS 15 CO -0.39 0.19 0.36 0.00 0.71 0.00 0.00 177.93 178.79 2dd5 h ALA 16 N 1.04 0.95 -0.45 5.26 0.00 -1.83 0.17 119.26 124.41 2dd5 h ALA 16 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2dd5 h ALA 16 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2dd5 h ALA 16 CO -0.01 0.51 0.07 0.87 0.00 0.00 0.00 179.25 180.69 2dd5 h LYS 17 N 1.03 0.69 0.11 0.00 1.57 -1.08 -0.24 116.57 118.65 2dd5 h LYS 17 Ca 0.25 -0.14 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 2dd5 h LYS 17 Cb 0.11 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.33 2dd5 h LYS 17 CO -0.03 0.65 -1.20 1.98 -0.57 0.00 0.00 179.45 180.27 2dd5 h MET 18 N 0.66 0.31 0.00 3.15 4.05 -0.97 -3.39 114.93 118.75 2dd5 h MET 18 Ca 0.15 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 2dd5 h MET 18 Cb 0.30 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2dd5 h MET 18 CO 0.00 1.21 -1.89 0.00 0.23 0.00 0.00 176.91 176.47 2dd5 n ALA 19 N -2.54 2.91 -1.65 0.39 0.00 0.01 -4.85 120.51 114.78 2dd5 n ALA 19 Ca -0.09 -0.51 -0.48 0.00 0.00 0.00 0.00 53.44 52.37 2dd5 n ALA 19 Cb 1.00 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.18 0.03 -0.82 0.00 -1.04 -0.11 -0.03 114.28 110.14 2dd5 n THR 20 Ca -0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2dd5 n THR 20 Cb 0.53 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 3.11 0.74 1.02 3.41 0.00 -1.26 -4.72 105.19 107.49 2dd5 n GLY 21 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.03 0.00 -0.61 2.08 0.20 -5.16 119.36 113.90 2dd5 n ILE 22 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2dd5 n ILE 22 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 2dd5 n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dd5 n GLY 23 N 2.98 1.64 3.20 7.39 0.00 0.96 -4.64 105.19 116.72 2dd5 n GLY 23 Ca 0.00 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 2.96 0.00 1.61 -1.08 -1.26 -0.56 116.67 118.34 2dd5 s ASP 24 Ca 0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 52.55 51.57 2dd5 s ASP 24 Cb 0.00 -1.35 0.24 0.00 -1.46 0.00 0.00 42.92 40.34 2dd5 s ASP 24 CO 0.00 0.15 1.18 -0.81 0.52 0.00 0.00 175.17 176.21 2dd5 n PRO 25 N 3.56 1.43 0.02 4.34 -0.04 -1.26 -4.95 135.00 138.09 2dd5 n PRO 25 Ca -0.19 -0.66 0.20 0.00 -0.04 0.00 0.00 63.50 62.81 2dd5 n PRO 25 Cb 0.53 -1.16 0.70 0.00 -0.04 0.00 0.00 33.50 33.53 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 1.10 0.00 0.00 0.54 7.50 -1.77 -1.00 115.11 121.47 2dd5 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2dd5 h GLN 26 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 2dd5 h GLN 26 CO 0.00 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.33 2dd5 n PHE 28 N -2.01 0.06 -1.60 0.00 3.72 -0.38 -5.01 117.46 112.24 2dd5 n PHE 28 Ca 0.02 -0.03 -0.48 0.00 -0.05 0.00 0.00 57.45 56.91 2dd5 n PHE 28 Cb 0.18 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.30 1.36 -0.35 -1.08 4.81 -0.91 -1.60 118.16 121.68 2dd5 n LYS 29 Ca 0.14 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 2dd5 n LYS 29 Cb 0.57 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 2.17 2.26 0.07 3.14 0.00 -1.26 -4.88 105.19 106.69 2dd5 n GLY 30 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.21 0.13 1.61 2.81 -0.63 -3.68 117.12 115.57 2dd5 n MET 31 Ca 0.00 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.15 2dd5 n MET 31 Cb 0.00 -1.71 0.10 0.00 -0.71 0.00 0.00 33.22 30.90 2dd5 n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dd5 h ALA 32 N 2.62 0.67 0.00 3.04 0.00 -1.77 -3.42 119.26 120.40 2dd5 h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dd5 h ALA 32 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dd5 h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dd5 n GLY 33 N 1.19 -0.39 3.70 0.00 0.00 -1.24 -4.82 105.19 103.63 2dd5 n GLY 33 Ca 0.02 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 4.38 0.43 1.61 2.20 -1.26 -4.99 119.74 122.11 2dd5 s LYS 34 Ca 0.00 1.74 -0.25 0.00 -0.36 0.00 0.00 55.97 57.10 2dd5 s LYS 34 Cb 0.00 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 2dd5 s LYS 34 CO 0.00 -0.38 1.30 -1.54 -0.36 0.00 0.00 175.35 174.37 2dd5 s SER 35 N 1.35 6.12 0.32 1.43 1.04 -1.26 -4.91 113.70 117.79 2dd5 s SER 35 Ca 0.58 2.65 0.17 0.00 0.48 0.00 0.00 55.95 59.82 2dd5 s SER 35 Cb -0.27 -2.63 0.17 0.00 0.10 0.00 0.00 66.02 63.38 2dd5 s SER 35 CO 0.25 -0.98 1.50 0.50 0.98 0.00 0.00 173.24 175.50 2dd5 h LYS 36 N 2.41 0.00 -5.26 4.02 3.64 -1.97 -3.46 116.57 115.95 2dd5 h LYS 36 Ca -0.50 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.46 2dd5 h LYS 36 Cb 1.25 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 2dd5 h LYS 36 CO 0.61 0.39 -0.67 -0.06 -2.27 0.00 0.00 179.45 177.46 2dd5 s PHE 37 N -3.05 1.69 0.23 1.91 0.08 -1.26 -5.12 117.98 112.45 2dd5 s PHE 37 Ca 0.04 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.33 2dd5 s PHE 37 Cb 0.07 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 2dd5 s PHE 37 CO 0.72 0.10 -0.04 -0.80 -0.10 0.00 0.00 175.22 175.11 2dd5 s ASN 38 N -3.35 2.08 0.30 1.36 -0.87 -1.26 -5.07 114.94 108.14 2dd5 s ASN 38 Ca 0.28 -1.17 -0.30 0.00 -1.57 0.00 0.00 52.86 50.10 2dd5 s ASN 38 Cb 0.04 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.25 41.11 2dd5 s ASN 38 CO 0.09 -0.43 1.47 0.52 -2.57 0.00 0.00 177.10 176.19 2dd5 n VAL 39 N -0.42 1.30 0.00 1.60 0.31 -1.26 -1.83 118.33 118.03 2dd5 n VAL 39 Ca -0.06 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2dd5 n VAL 39 Cb 0.63 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 1.69 3.39 3.76 2.92 0.00 0.97 -5.01 105.19 112.92 2dd5 n GLY 40 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.72 6.06 -0.18 1.61 1.01 -0.76 -4.69 116.67 119.00 2dd5 s ASP 41 Ca 0.00 2.60 -0.14 0.00 0.71 0.00 0.00 52.55 55.72 2dd5 s ASP 41 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2dd5 s ASP 41 CO 0.00 -1.02 0.31 -0.13 0.21 0.00 0.00 175.17 174.55 2dd5 s ARG 42 N -2.48 4.22 0.05 8.23 1.81 -1.26 -1.26 118.95 128.26 2dd5 s ARG 42 Ca 0.61 0.10 0.04 0.00 -1.72 0.00 0.00 55.73 54.76 2dd5 s ARG 42 Cb -0.37 -3.47 -0.03 0.00 -0.45 0.00 0.00 34.95 30.64 2dd5 s ARG 42 CO 0.46 0.14 -0.11 0.14 -0.68 0.00 0.00 175.30 175.24 2dd5 s VAL 43 N 0.78 0.83 -0.05 3.52 -7.23 -0.03 -1.51 120.40 116.72 2dd5 s VAL 43 Ca 0.16 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2dd5 s VAL 43 Cb -0.14 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 2dd5 s VAL 43 CO 0.05 -0.28 -0.01 -0.60 -0.31 0.00 0.00 175.10 173.95 2dd5 s ARG 44 N -1.60 2.85 -0.26 4.82 3.52 -0.18 -0.47 118.95 127.64 2dd5 s ARG 44 Ca -0.05 -0.52 -0.24 0.00 -0.13 0.00 0.00 55.73 54.79 2dd5 s ARG 44 Cb -0.10 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 2dd5 s ARG 44 CO 0.01 0.66 0.79 0.42 -0.81 0.00 0.00 175.30 176.38 2dd5 s ILE 45 N -0.95 4.85 0.32 4.11 -1.09 -0.25 -2.53 121.20 125.65 2dd5 s ILE 45 Ca 0.16 1.42 -0.28 0.00 -2.23 0.00 0.00 60.65 59.71 2dd5 s ILE 45 Cb -0.11 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 2dd5 s ILE 45 CO 0.05 -0.10 1.17 -0.54 -1.23 0.00 0.00 174.94 174.30 2dd5 s LYS 46 N 2.82 4.45 -1.25 2.79 1.02 0.89 -0.79 119.74 129.68 2dd5 s LYS 46 Ca 0.33 1.94 -0.09 0.00 0.02 0.00 0.00 55.97 58.17 2dd5 s LYS 46 Cb -0.15 -3.06 0.19 0.00 -0.52 0.00 0.00 37.83 34.29 2dd5 s LYS 46 CO 0.09 -0.00 1.80 -3.47 -0.92 0.00 0.00 175.35 172.84 2dd5 n ASP 47 N 0.87 5.28 -4.78 2.83 2.03 -1.26 -4.76 116.55 116.76 2dd5 n ASP 47 Ca 0.00 -3.14 -0.34 0.00 0.52 0.00 0.00 54.79 51.82 2dd5 n ASP 47 Cb 0.44 -1.45 0.01 0.00 -0.72 0.00 0.00 41.12 39.40 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 -0.42 3.64 0.48 -2.67 1.43 -1.26 -4.97 118.68 114.91 2dd5 s LEU 48 Ca 0.38 2.07 -0.24 0.00 -1.03 0.00 0.00 54.13 55.31 2dd5 s LEU 48 Cb 0.08 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 2dd5 s LEU 48 CO 0.02 -1.27 1.34 -2.65 0.23 0.00 0.00 176.35 174.02 2dd5 n PRO 49 N -1.63 1.93 -0.41 1.29 -0.02 -1.26 -4.92 135.00 129.99 2dd5 n PRO 49 Ca 0.11 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 2dd5 n PRO 49 Cb 0.52 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.62 2dd5 n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dd5 n ASP 50 N -0.35 1.81 -4.59 2.55 5.68 -1.26 -5.03 116.55 115.36 2dd5 n ASP 50 Ca 0.08 -3.23 -0.52 0.00 -0.50 0.00 0.00 54.79 50.62 2dd5 n ASP 50 Cb 0.42 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 39.90 2dd5 n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2dd5 n LEU 51 N -1.06 1.69 0.00 -2.12 7.94 -1.26 -2.31 117.00 119.87 2dd5 n LEU 51 Ca 0.15 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2dd5 n LEU 51 Cb 0.70 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2dd5 n LEU 51 CO -0.01 -1.03 0.00 0.49 -1.11 0.00 0.00 177.39 175.73 2dd5 n PHE 52 N 2.52 0.00 -3.59 1.96 3.72 -1.26 -4.85 117.46 115.96 2dd5 n PHE 52 Ca 0.18 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.48 2dd5 n PHE 52 Cb 0.19 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.38 -0.20 1.38 5.04 -0.98 -5.16 117.35 117.05 2dd5 s TYR 53 Ca 0.00 0.72 -0.30 0.00 -2.44 0.00 0.00 57.07 55.05 2dd5 s TYR 53 Cb 0.00 0.43 0.15 0.00 0.35 0.00 0.00 41.96 42.89 2dd5 s TYR 53 CO 0.00 -0.30 1.13 -0.08 -1.34 0.00 0.00 175.55 174.96 2dd5 s THR 54 N -0.80 0.00 -0.11 4.34 -1.32 -1.26 -4.79 115.64 111.69 2dd5 s THR 54 Ca -0.00 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.64 2dd5 s THR 54 Cb -0.02 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.23 2dd5 s THR 54 CO -0.01 0.00 1.13 0.54 -2.21 0.00 0.00 174.62 174.08 2dd5 n ARG 55 N 0.57 1.54 -3.56 7.08 1.74 -1.26 -4.89 116.66 117.88 2dd5 n ARG 55 Ca -0.06 -2.43 -0.41 0.00 -0.77 0.00 0.00 57.85 54.18 2dd5 n ARG 55 Cb 0.58 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.61 4.19 0.30 0.55 2.01 -1.26 -5.02 115.64 113.81 2dd5 s THR 56 Ca 0.28 -1.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 2dd5 s THR 56 Cb 0.24 -3.76 -0.14 0.00 0.01 0.00 0.00 72.50 68.85 2dd5 s THR 56 CO 0.03 -0.78 0.85 0.23 -0.69 0.00 0.00 174.62 174.26 2dd5 n MET 57 N 4.84 0.99 -0.24 4.92 2.81 -1.26 -4.87 117.12 124.30 2dd5 n MET 57 Ca -0.07 0.35 0.08 0.00 -1.81 0.00 0.00 57.70 56.26 2dd5 n MET 57 Cb 0.41 -1.65 0.34 0.00 -0.71 0.00 0.00 33.22 31.61 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 1.60 0.95 0.00 2.03 2.02 -1.99 -1.82 112.91 115.70 2dd5 h THR 58 Ca -0.38 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2dd5 h THR 58 Cb 1.37 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2dd5 h THR 58 CO 0.58 0.14 0.00 0.10 0.37 0.00 0.00 175.52 176.71 2dd5 h TYR 59 N 0.78 0.00 0.00 3.16 -0.00 -2.00 -2.25 116.97 116.66 2dd5 h TYR 59 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 2dd5 h TYR 59 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.18 2dd5 h TYR 59 CO -0.00 0.00 -1.09 0.25 -0.00 0.00 0.00 178.16 177.32 2dd5 n THR 60 N -2.30 0.14 -1.70 -0.90 -2.24 -0.68 -4.89 114.28 101.70 2dd5 n THR 60 Ca -0.01 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2dd5 n THR 60 Cb 0.09 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.94 2.57 -0.10 -0.78 5.12 -0.85 -1.99 116.66 118.69 2dd5 n ARG 61 Ca 0.02 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.86 2dd5 n ARG 61 Cb 0.44 -2.75 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 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 3.80 2.51 3.88 -0.13 0.00 0.03 -4.98 105.19 110.29 2dd5 n GLY 62 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.00 3.33 -0.07 4.61 0.00 -0.84 -4.72 121.76 121.06 2dd5 s ALA 63 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2dd5 s ALA 63 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2dd5 s ALA 63 CO 0.00 -0.10 -0.09 0.99 0.00 0.00 0.00 175.76 176.55 2dd5 s THR 64 N -2.47 3.47 0.31 0.00 2.01 -1.26 -1.10 115.64 116.60 2dd5 s THR 64 Ca 0.51 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2dd5 s THR 64 Cb -0.10 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2dd5 s THR 64 CO 0.34 0.58 0.31 0.61 -0.69 0.00 0.00 174.62 175.78 2dd5 n GLY 65 N 2.43 2.79 3.33 4.40 0.00 0.38 -4.68 105.19 113.85 2dd5 n GLY 65 Ca -0.18 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.11 2.74 -0.09 2.61 2.01 -0.64 -0.85 115.64 118.31 2dd5 s THR 66 Ca 0.34 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2dd5 s THR 66 Cb 0.01 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2dd5 s THR 66 CO 0.24 0.54 1.29 -0.63 -0.69 0.00 0.00 174.62 175.37 2dd5 s ILE 67 N 0.28 4.12 -0.64 1.82 1.01 -0.39 -1.11 121.20 126.30 2dd5 s ILE 67 Ca -0.12 1.42 0.11 0.00 0.00 0.00 0.00 60.65 62.06 2dd5 s ILE 67 Cb -0.16 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.31 2dd5 s ILE 67 CO 0.06 -0.06 0.51 1.33 0.00 0.00 0.00 174.94 176.78 2dd5 n VAL 68 N 4.98 0.00 -3.63 2.92 0.24 -0.41 -0.02 118.33 122.42 2dd5 n VAL 68 Ca 0.13 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 2dd5 n VAL 68 Cb 0.45 1.03 -0.06 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 -1.88 0.41 -0.67 7.34 3.52 -1.22 -4.90 118.95 121.55 2dd5 s ARG 69 Ca 0.05 0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.85 2dd5 s ARG 69 Cb 0.08 0.20 0.15 0.00 -1.56 0.00 0.00 34.95 33.82 2dd5 s ARG 69 CO 0.40 -0.07 0.68 -0.51 -0.81 0.00 0.00 175.30 174.99 2dd5 s LEU 70 N -0.18 6.12 0.17 -0.88 1.02 -1.26 -0.68 118.68 122.98 2dd5 s LEU 70 Ca 0.03 -2.02 -0.10 0.00 0.02 0.00 0.00 54.13 52.06 2dd5 s LEU 70 Cb -0.04 -2.24 0.05 0.00 0.02 0.00 0.00 46.19 43.98 2dd5 s LEU 70 CO -0.06 -0.84 1.62 -0.37 0.02 0.00 0.00 176.35 176.72 2dd5 h VAL 71 N 5.53 1.27 0.00 -1.59 -1.51 -1.82 -3.49 116.25 114.64 2dd5 h VAL 71 Ca -0.13 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 2dd5 h VAL 71 Cb 1.07 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2dd5 h VAL 71 CO 0.97 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 177.73 2dd5 n TYR 72 N -4.20 0.00 -4.69 5.19 0.18 -1.25 -5.04 117.16 107.35 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 0.36 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.19 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 -1.87 2.14 -0.16 -3.48 2.02 -1.26 -1.18 118.70 114.90 2dd5 s GLU 73 Ca 0.00 -0.94 -0.34 0.00 0.02 0.00 0.00 54.97 53.71 2dd5 s GLU 73 Cb 0.00 -2.22 0.13 0.00 0.10 0.00 0.00 34.13 32.15 2dd5 s GLU 73 CO 0.00 0.55 1.16 0.45 0.02 0.00 0.00 175.26 177.44 2dd5 s SER 74 N -1.35 -0.17 0.63 -0.19 0.15 -0.51 -4.60 113.70 107.66 2dd5 s SER 74 Ca 0.14 0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.64 2dd5 s SER 74 Cb -0.11 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2dd5 s SER 74 CO 0.05 -0.29 1.12 -2.84 1.20 0.00 0.00 173.24 172.48 2dd5 s PRO 75 N -2.49 2.92 0.39 5.44 0.02 -1.26 -1.27 135.00 138.75 2dd5 s PRO 75 Ca 0.09 1.44 -0.26 0.00 0.02 0.00 0.00 61.00 62.29 2dd5 s PRO 75 Cb -0.01 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 2dd5 s PRO 75 CO -0.05 -1.17 1.21 0.00 -0.33 0.00 0.00 177.00 176.66 2dd5 s ALA 76 N -2.21 3.22 0.47 -1.55 0.00 -1.26 -4.80 121.76 115.63 2dd5 s ALA 76 Ca 0.68 1.06 0.18 0.00 0.00 0.00 0.00 51.96 53.88 2dd5 s ALA 76 Cb -0.21 -3.42 1.16 0.00 0.00 0.00 0.00 23.12 20.65 2dd5 s ALA 76 CO 0.38 -0.60 1.98 0.00 0.00 0.00 0.00 175.76 177.52 2dd5 h ALA 77 N 2.76 2.18 0.00 0.00 0.00 -1.98 0.20 119.26 122.43 2dd5 h ALA 77 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dd5 h ALA 77 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dd5 h ALA 77 CO 0.63 -0.33 -0.01 0.93 0.00 0.00 0.00 179.25 180.47 2dd5 h GLU 78 N 0.27 0.00 0.03 0.00 3.07 -1.90 0.52 114.58 116.56 2dd5 h GLU 78 Ca 0.28 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.75 2dd5 h GLU 78 Cb 0.73 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.58 2dd5 h GLU 78 CO -0.06 0.01 -2.25 -0.25 -1.40 0.00 0.00 179.01 175.06 2dd5 n ASP 79 N -3.91 1.99 -0.37 1.42 8.00 0.51 -4.43 116.55 119.76 2dd5 n ASP 79 Ca -0.03 0.13 0.01 0.00 0.71 0.00 0.00 54.79 55.61 2dd5 n ASP 79 Cb 0.10 -0.68 0.15 0.00 -0.02 0.00 0.00 41.12 40.67 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 -0.38 1.19 0.00 -1.24 4.81 -0.85 -0.37 114.58 117.73 2dd5 h GLU 80 Ca -0.56 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2dd5 h GLU 80 Cb 1.78 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2dd5 h GLU 80 CO -0.16 0.79 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 2dd5 n ALA 81 N -2.37 1.30 -0.89 2.92 0.00 0.15 -1.83 120.51 119.80 2dd5 n ALA 81 Ca 0.14 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.71 2dd5 n ALA 81 Cb 0.13 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.79 0.00 -1.11 0.00 3.72 -0.53 -4.98 117.46 112.76 2dd5 n PHE 82 Ca 0.01 -0.90 -0.04 0.00 -0.05 0.00 0.00 57.45 56.47 2dd5 n PHE 82 Cb 0.09 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 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 -1.25 0.68 3.22 1.37 0.00 -0.76 -5.02 105.19 103.43 2dd5 n GLY 83 Ca 0.13 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.96 5.26 -0.04 1.61 0.02 -0.26 -4.93 114.94 113.64 2dd5 s ASN 84 Ca 0.00 -1.40 0.06 0.00 -1.02 0.00 0.00 52.86 50.50 2dd5 s ASN 84 Cb 0.00 -1.84 0.10 0.00 0.02 0.00 0.00 41.25 39.52 2dd5 s ASN 84 CO 0.00 -0.39 1.06 -0.62 0.02 0.00 0.00 177.10 177.17 2dd5 n GLU 85 N 4.75 2.56 0.24 -0.60 1.02 -1.26 -3.05 120.64 124.30 2dd5 n GLU 85 Ca -0.10 -1.82 0.06 0.00 -0.02 0.00 0.00 57.16 55.28 2dd5 n GLU 85 Cb 0.43 -1.15 0.55 0.00 -0.02 0.00 0.00 31.44 31.26 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 0.13 0.00 -5.23 3.49 9.09 -1.97 -3.42 114.58 116.66 2dd5 h GLU 86 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.77 2dd5 h GLU 86 Cb 0.65 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 27.54 2dd5 h GLU 86 CO 0.00 0.12 -0.66 -0.80 0.05 0.00 0.00 179.01 177.73 2dd5 s ASN 87 N -6.99 4.87 -0.03 3.06 0.02 -1.26 -5.10 114.94 109.50 2dd5 s ASN 87 Ca -0.04 -0.14 0.06 0.00 -1.02 0.00 0.00 52.86 51.72 2dd5 s ASN 87 Cb 0.16 -1.81 -0.02 0.00 0.02 0.00 0.00 41.25 39.60 2dd5 s ASN 87 CO 0.68 0.13 -0.21 -0.69 0.02 0.00 0.00 177.10 177.04 2dd5 s VAL 88 N 0.59 2.49 0.11 1.60 1.01 -1.26 -4.06 120.40 120.88 2dd5 s VAL 88 Ca -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2dd5 s VAL 88 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2dd5 s VAL 88 CO 0.02 0.58 0.05 -1.83 0.00 0.00 0.00 175.10 173.93 2dd5 s GLU 89 N -0.66 0.86 0.38 2.72 -1.05 -0.40 -4.21 118.70 116.34 2dd5 s GLU 89 Ca 0.10 -1.34 -0.25 0.00 -0.15 0.00 0.00 54.97 53.33 2dd5 s GLU 89 Cb -0.10 0.25 -0.09 0.00 -0.44 0.00 0.00 34.13 33.75 2dd5 s GLU 89 CO -0.00 -0.23 1.11 -1.58 0.95 0.00 0.00 175.26 175.50 2dd5 s TRP 90 N -4.00 3.24 -0.03 4.83 0.52 -1.26 -1.42 118.94 120.82 2dd5 s TRP 90 Ca 0.18 1.62 0.03 0.00 0.02 0.00 0.00 56.10 57.95 2dd5 s TRP 90 Cb 0.07 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.10 2dd5 s TRP 90 CO -0.02 -0.89 -0.11 -0.06 0.02 0.00 0.00 176.95 175.89 2dd5 s PHE 91 N -1.47 2.80 0.00 -1.98 0.40 -0.33 -1.19 117.98 116.21 2dd5 s PHE 91 Ca 0.55 -0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.86 2dd5 s PHE 91 Cb -0.27 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2dd5 s PHE 91 CO 0.34 0.28 -0.21 0.71 0.70 0.00 0.00 175.22 177.05 2dd5 s TYR 92 N -0.84 1.83 -0.18 0.36 2.02 -0.61 -2.31 117.35 117.62 2dd5 s TYR 92 Ca 0.13 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.31 2dd5 s TYR 92 Cb -0.11 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2dd5 s TYR 92 CO 0.03 0.01 0.44 0.45 -1.57 0.00 0.00 175.55 174.91 2dd5 s SER 93 N -0.72 6.51 -0.04 2.29 0.15 0.14 -0.99 113.70 121.05 2dd5 s SER 93 Ca 0.08 0.61 0.07 0.00 0.70 0.00 0.00 55.95 57.41 2dd5 s SER 93 Cb -0.08 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 2dd5 s SER 93 CO 0.00 -0.08 -0.25 -0.63 1.20 0.00 0.00 173.24 173.48 2dd5 s ILE 94 N 1.24 2.09 -0.20 6.45 1.01 0.67 -1.28 121.20 131.17 2dd5 s ILE 94 Ca 0.21 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 2dd5 s ILE 94 Cb -0.15 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2dd5 s ILE 94 CO 0.09 0.58 -0.01 -0.69 0.00 0.00 0.00 174.94 174.90 2dd5 s VAL 95 N -0.41 3.91 0.04 2.92 1.01 -0.27 -1.58 120.40 126.03 2dd5 s VAL 95 Ca 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2dd5 s VAL 95 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2dd5 s VAL 95 CO 0.01 0.43 -0.06 -0.36 0.00 0.00 0.00 175.10 175.12 2dd5 s PHE 96 N 0.96 2.87 0.11 5.22 0.08 0.12 -1.63 117.98 125.71 2dd5 s PHE 96 Ca 0.01 -0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.73 2dd5 s PHE 96 Cb -0.14 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2dd5 s PHE 96 CO 0.02 0.40 0.84 0.00 -0.10 0.00 0.00 175.22 176.38 2dd5 s ALA 97 N -1.10 3.35 0.40 5.36 0.00 -1.26 -0.71 121.76 127.80 2dd5 s ALA 97 Ca 0.19 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.68 2dd5 s ALA 97 Cb -0.11 -3.09 0.92 0.00 0.00 0.00 0.00 23.12 20.84 2dd5 s ALA 97 CO 0.11 0.10 1.96 1.96 0.00 0.00 0.00 175.76 179.89 2dd5 h GLN 98 N 5.20 0.52 0.00 0.00 1.08 -1.68 -0.68 115.11 119.55 2dd5 h GLN 98 Ca -0.44 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.71 2dd5 h GLN 98 Cb 1.21 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2dd5 h GLN 98 CO 0.70 0.35 -0.07 1.57 -0.95 0.00 0.00 178.83 180.42 2dd5 h LYS 99 N 0.54 0.00 0.00 1.46 2.10 -1.82 -0.53 116.57 118.32 2dd5 h LYS 99 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2dd5 h LYS 99 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2dd5 h LYS 99 CO -0.10 0.07 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.07 2dd5 n ASP 100 N -4.24 0.26 -0.12 7.07 8.00 -0.27 -4.00 116.55 123.25 2dd5 n ASP 100 Ca -0.03 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.66 2dd5 n ASP 100 Cb 0.15 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.67 2.63 -4.18 0.64 4.77 -0.55 -4.87 117.00 113.77 2dd5 n LEU 101 Ca 0.06 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.70 2dd5 n LEU 101 Cb 0.36 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2dd5 n LEU 101 CO 0.29 0.79 -0.41 0.26 -1.33 0.00 0.00 177.39 176.99 2dd5 s TRP 102 N -2.47 3.09 0.33 -1.77 0.52 -0.32 -5.00 118.94 113.32 2dd5 s TRP 102 Ca -0.33 -1.66 0.09 0.00 0.02 0.00 0.00 56.10 54.23 2dd5 s TRP 102 Cb 0.10 -2.05 0.83 0.00 -1.15 0.00 0.00 33.47 31.20 2dd5 s TRP 102 CO 0.51 -0.75 1.80 -1.35 0.02 0.00 0.00 176.95 177.18 2dd5 h PRO 103 N 7.99 0.66 -0.00 4.98 0.11 -1.87 -1.92 132.00 141.95 2dd5 h PRO 103 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2dd5 h PRO 103 Cb 1.10 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2dd5 h PRO 103 CO 0.56 0.44 -0.05 -0.85 -0.21 0.00 0.00 178.00 177.89 2dd5 n GLU 104 N -4.68 0.39 -1.64 1.05 0.00 -1.26 -4.92 120.64 109.58 2dd5 n GLU 104 Ca 0.22 -0.06 -0.47 0.00 0.00 0.00 0.00 57.16 56.85 2dd5 n GLU 104 Cb 0.60 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.50 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 -1.26 1.91 -2.46 -1.84 9.36 -0.72 -4.90 117.16 117.26 2dd5 n TYR 105 Ca 0.12 0.47 -0.41 0.00 3.32 0.00 0.00 57.90 61.41 2dd5 n TYR 105 Cb 0.27 -2.42 -0.04 0.00 -0.63 0.00 0.00 39.34 36.52 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 0.41 7.21 0.52 2.98 0.15 -1.26 -4.92 113.70 118.80 2dd5 s SER 106 Ca 0.74 2.19 0.35 0.00 0.70 0.00 0.00 55.95 59.93 2dd5 s SER 106 Cb -0.74 -2.61 1.66 0.00 -1.71 0.00 0.00 66.02 62.61 2dd5 s SER 106 CO 0.47 -0.24 2.04 0.44 1.20 0.00 0.00 173.24 177.15 2dd5 h ASP 107 N 4.72 0.00 -0.02 5.45 3.32 -1.99 -1.54 116.42 126.35 2dd5 h ASP 107 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 2dd5 h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2dd5 h ASP 107 CO 0.71 0.00 -0.01 0.74 -1.72 0.00 0.00 179.24 178.96 2dd5 h THR 108 N 0.00 1.06 -1.78 0.35 2.02 -2.01 -2.40 112.91 110.15 2dd5 h THR 108 Ca 0.00 -0.24 -0.67 0.00 0.77 0.00 0.00 66.41 66.27 2dd5 h THR 108 Cb 0.24 1.01 -0.35 0.00 -1.74 0.00 0.00 68.15 67.32 2dd5 h THR 108 CO 0.00 0.08 0.08 0.49 0.37 0.00 0.00 175.52 176.54 2dd5 n PHE 109 N -4.46 3.25 0.29 3.16 3.72 -0.58 -4.84 117.46 118.00 2dd5 n PHE 109 Ca -0.02 -2.81 0.18 0.00 -0.05 0.00 0.00 57.45 54.75 2dd5 n PHE 109 Cb 0.14 -0.60 0.91 0.00 -0.94 0.00 0.00 39.48 38.99 2dd5 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd5 h ALA 110 N 2.83 1.00 -0.02 4.37 0.00 -1.53 -2.87 119.26 123.05 2dd5 h ALA 110 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2dd5 h ALA 110 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dd5 h ALA 110 CO 1.10 0.00 -0.27 0.09 0.00 0.00 0.00 179.25 180.17 2dd5 n ASN 111 N -2.80 1.82 -4.76 0.00 3.02 -1.26 -4.93 115.26 106.34 2dd5 n ASN 111 Ca -0.02 -1.40 -0.39 0.00 -0.03 0.00 0.00 54.58 52.74 2dd5 n ASN 111 Cb 0.11 0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.35 5.99 0.29 6.41 1.01 -1.08 -4.96 116.67 121.98 2dd5 s ASP 112 Ca 0.24 2.69 0.04 0.00 0.71 0.00 0.00 52.55 56.23 2dd5 s ASP 112 Cb 0.19 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2dd5 s ASP 112 CO 0.48 -1.07 0.23 0.42 0.21 0.00 0.00 175.17 175.44 2dd5 s THR 113 N -1.30 0.00 -0.02 -1.27 -4.23 -1.26 -1.86 115.64 105.70 2dd5 s THR 113 Ca 0.62 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2dd5 s THR 113 Cb -0.38 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.98 2dd5 s THR 113 CO 0.48 0.00 0.04 -0.22 -0.54 0.00 0.00 174.62 174.38 2dd5 s LEU 114 N -3.30 1.18 -0.07 4.79 0.20 0.11 -4.79 118.68 116.80 2dd5 s LEU 114 Ca 0.40 0.06 0.05 0.00 0.69 0.00 0.00 54.13 55.33 2dd5 s LEU 114 Cb 0.04 -0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.77 2dd5 s LEU 114 CO 0.22 -0.11 -0.24 -0.70 -0.29 0.00 0.00 176.35 175.23 2dd5 s GLU 115 N 0.93 2.58 0.23 1.98 2.12 -1.26 0.11 118.70 125.39 2dd5 s GLU 115 Ca -0.08 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.24 2dd5 s GLU 115 Cb -0.11 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 32.17 2dd5 s GLU 115 CO -0.03 0.31 0.52 -0.08 -0.54 0.00 0.00 175.26 175.44 2dd5 s THR 116 N -0.00 0.01 -0.07 -1.70 -1.32 -0.61 -4.96 115.64 106.98 2dd5 s THR 116 Ca -0.08 -1.17 -0.02 0.00 -1.21 0.00 0.00 61.69 59.21 2dd5 s THR 116 Cb -0.15 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.83 2dd5 s THR 116 CO 0.05 -0.05 0.02 -1.61 -2.21 0.00 0.00 174.62 170.82 2dd5 s GLU 117 N -3.96 3.00 -0.02 7.08 2.02 -1.26 -0.24 118.70 125.32 2dd5 s GLU 117 Ca 0.17 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 2dd5 s GLU 117 Cb -0.01 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.42 2dd5 s GLU 117 CO 0.05 0.70 0.04 0.42 0.02 0.00 0.00 175.26 176.49 2dd5 s ILE 118 N -0.95 -0.04 0.54 -1.63 1.01 -0.16 -4.94 121.20 115.04 2dd5 s ILE 118 Ca 0.15 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 2dd5 s ILE 118 Cb -0.11 -0.09 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 2dd5 s ILE 118 CO 0.04 0.05 1.12 -2.16 0.00 0.00 0.00 174.94 173.99 2dd5 s PRO 119 N 0.70 3.37 0.39 2.79 0.04 -1.26 -1.57 135.00 139.46 2dd5 s PRO 119 Ca -0.06 1.56 0.20 0.00 0.04 0.00 0.00 61.00 62.74 2dd5 s PRO 119 Cb -0.08 -2.01 1.16 0.00 0.04 0.00 0.00 34.50 33.61 2dd5 s PRO 119 CO -0.02 -0.82 1.70 1.49 0.04 0.00 0.00 177.00 179.39 2dd5 h GLU 120 N 1.16 0.31 -0.45 4.56 4.81 -1.50 -2.10 114.58 121.37 2dd5 h GLU 120 Ca -0.50 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.84 2dd5 h GLU 120 Cb 1.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2dd5 h GLU 120 CO 0.57 0.20 0.38 0.07 -0.73 0.00 0.00 179.01 179.50 2dd5 h ARG 121 N 0.32 0.00 -0.01 1.92 0.11 -1.91 -0.24 114.38 114.56 2dd5 h ARG 121 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 2dd5 h ARG 121 Cb 1.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.87 2dd5 h ARG 121 CO -0.42 0.00 -0.16 0.66 0.10 0.00 0.00 179.97 180.16 2dd5 n TYR 122 N -4.08 0.00 -3.89 4.08 4.01 -0.79 -4.92 117.16 111.57 2dd5 n TYR 122 Ca 0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 2dd5 n TYR 122 Cb 0.57 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 2dd5 n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dd5 s LEU 123 N -2.35 4.38 -0.03 7.72 1.43 -0.10 -0.07 118.68 129.65 2dd5 s LEU 123 Ca 0.29 0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2dd5 s LEU 123 Cb 0.20 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2dd5 s LEU 123 CO 0.46 0.34 0.12 -1.83 0.23 0.00 0.00 176.35 175.67 2dd5 s GLU 124 N -1.45 0.27 0.23 1.70 -1.05 -1.05 -4.94 118.70 112.42 2dd5 s GLU 124 Ca 0.21 -0.08 -0.31 0.00 -0.15 0.00 0.00 54.97 54.63 2dd5 s GLU 124 Cb -0.12 0.12 -0.13 0.00 -0.44 0.00 0.00 34.13 33.55 2dd5 s GLU 124 CO 0.11 -0.05 1.42 1.17 0.95 0.00 0.00 175.26 178.85 2dd5 n LYS 125 N 2.38 2.03 0.00 -4.83 4.81 -1.26 -1.01 118.16 120.28 2dd5 n LYS 125 Ca -0.17 0.72 0.15 0.00 -0.87 0.00 0.00 58.31 58.15 2dd5 n LYS 125 Cb 0.58 -2.39 0.84 0.00 0.02 0.00 0.00 35.03 34.08 2dd5 n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57