#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dhm n ALA 2 N 0.00 0.00 -2.92 -5.12 0.00 -1.26 -5.12 120.51 106.10 1dhm n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1dhm n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1dhm n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dhm n THR 3 N -3.40 -6.89 -3.71 0.00 -2.24 -1.26 -4.91 114.28 91.86 1dhm n THR 3 Ca 0.00 1.25 -0.34 0.00 -2.27 0.00 0.00 64.05 62.69 1dhm n THR 3 Cb 0.00 -4.75 -0.08 0.00 -2.10 0.00 0.00 70.33 63.40 1dhm n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1dhm s THR 4 N -0.91 3.94 0.07 4.28 2.01 -1.26 -4.77 115.64 118.99 1dhm s THR 4 Ca -0.06 -3.95 -0.31 0.00 0.31 0.00 0.00 61.69 57.68 1dhm s THR 4 Cb 0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 1dhm s THR 4 CO 0.39 -1.06 1.35 -2.16 -0.69 0.00 0.00 174.62 172.45 1dhm s PRO 5 N -1.34 4.33 0.24 4.92 0.04 -1.26 -1.58 135.00 140.36 1dhm s PRO 5 Ca 0.26 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1dhm s PRO 5 Cb -0.07 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1dhm s PRO 5 CO -0.13 -0.43 0.02 0.96 0.04 0.00 0.00 177.00 177.45 1dhm s ILE 6 N 1.44 0.95 0.09 0.56 -4.36 -1.08 -2.61 121.20 116.19 1dhm s ILE 6 Ca 0.63 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 59.03 1dhm s ILE 6 Cb -0.34 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1dhm s ILE 6 CO 0.29 -0.24 -0.10 -0.63 0.24 0.00 0.00 174.94 174.50 1dhm s ILE 7 N -3.48 0.88 -0.29 8.37 1.01 -1.12 -0.53 121.20 126.05 1dhm s ILE 7 Ca 0.31 -1.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 1dhm s ILE 7 Cb 0.06 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1dhm s ILE 7 CO 0.10 -0.51 0.02 -1.00 0.00 0.00 0.00 174.94 173.55 1dhm s HIS 8 N -2.22 3.18 -0.63 3.97 3.76 -0.84 -2.16 115.29 120.35 1dhm s HIS 8 Ca 0.03 -1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 53.26 1dhm s HIS 8 Cb -0.04 -2.16 0.13 0.00 1.11 0.00 0.00 32.58 31.62 1dhm s HIS 8 CO 0.00 -0.72 0.69 -0.51 -0.85 0.00 0.00 174.74 173.35 1dhm s LEU 9 N 1.36 5.78 0.06 0.89 2.01 -1.00 -1.93 118.68 125.83 1dhm s LEU 9 Ca -0.01 -1.75 -0.09 0.00 0.01 0.00 0.00 54.13 52.29 1dhm s LEU 9 Cb -0.18 -2.27 -0.05 0.00 0.01 0.00 0.00 46.19 43.69 1dhm s LEU 9 CO -0.00 -0.97 0.36 -0.75 1.01 0.00 0.00 176.35 176.00 1dhm s LYS 10 N 2.04 3.71 0.00 1.70 2.36 -0.99 -2.76 119.74 125.80 1dhm s LYS 10 Ca 0.11 0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.63 1dhm s LYS 10 Cb -0.23 -3.02 0.00 0.00 -1.05 0.00 0.00 37.83 33.53 1dhm s LYS 10 CO 0.02 0.59 0.00 0.41 1.55 0.00 0.00 175.35 177.92 1dhm n GLY 11 N 0.96 -1.80 3.13 5.54 0.00 -1.07 -1.06 105.19 110.89 1dhm n GLY 11 Ca -0.09 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1dhm n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dhm s ASP 12 N -4.00 0.18 0.21 1.61 1.01 -1.26 -2.21 116.67 112.21 1dhm s ASP 12 Ca 0.00 -0.56 0.11 0.00 0.71 0.00 0.00 52.55 52.81 1dhm s ASP 12 Cb 0.00 0.24 -0.01 0.00 1.01 0.00 0.00 42.92 44.17 1dhm s ASP 12 CO 0.00 -0.54 1.40 0.00 0.21 0.00 0.00 175.17 176.23 1dhm h ALA 13 N 3.51 0.56 0.13 5.23 0.00 -1.92 -2.34 119.26 124.43 1dhm h ALA 13 Ca -0.33 -0.67 -0.28 0.00 0.00 0.00 0.00 54.91 53.63 1dhm h ALA 13 Cb 1.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1dhm h ALA 13 CO 0.52 0.93 -1.24 -0.97 0.00 0.00 0.00 179.25 178.49 1dhm h ASN 14 N 0.00 0.59 -0.32 0.00 -0.73 -1.98 -1.56 115.58 111.58 1dhm h ASN 14 Ca -0.01 -0.59 -0.15 0.00 1.87 0.00 0.00 56.30 57.43 1dhm h ASN 14 Cb 1.52 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.92 1dhm h ASN 14 CO 0.10 1.43 -0.39 0.40 -0.37 0.00 0.00 177.43 178.60 1dhm h ILE 15 N 0.14 1.29 0.00 2.57 2.04 -1.97 -2.77 117.51 118.81 1dhm h ILE 15 Ca -0.16 -1.57 -0.13 0.00 1.00 0.00 0.00 64.86 64.00 1dhm h ILE 15 Cb 1.93 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1dhm h ILE 15 CO 0.22 0.51 -0.61 -0.07 0.00 0.00 0.00 178.15 178.20 1dhm h LEU 16 N 0.60 0.00 -0.54 1.44 3.38 -1.48 -0.00 115.31 118.71 1dhm h LEU 16 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1dhm h LEU 16 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1dhm h LEU 16 CO 0.09 0.61 0.19 0.11 0.09 0.00 0.00 178.44 179.53 1dhm h LYS 17 N 0.00 0.82 0.00 1.13 1.57 -1.13 -2.40 116.57 116.56 1dhm h LYS 17 Ca -0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1dhm h LYS 17 Cb 1.10 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1dhm h LYS 17 CO 0.08 0.74 -0.39 0.00 -0.57 0.00 0.00 179.45 179.31 1dhm h LEU 19 N 0.00 0.21 -2.01 0.00 6.46 -0.46 -2.15 115.31 117.36 1dhm h LEU 19 Ca 0.00 -0.05 0.16 0.00 -0.12 0.00 0.00 57.88 57.87 1dhm h LEU 19 Cb 0.62 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1dhm h LEU 19 CO 0.00 0.43 0.42 -0.09 -0.62 0.00 0.00 178.44 178.57 1dhm h ARG 20 N 0.20 0.00 -0.44 1.25 2.43 -1.63 -0.02 114.38 116.16 1dhm h ARG 20 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1dhm h ARG 20 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1dhm h ARG 20 CO 0.03 0.00 0.26 1.88 -1.51 0.00 0.00 179.97 180.63 1dhm h TYR 21 N 0.00 0.60 -0.40 2.20 0.05 -1.63 -2.07 116.97 115.71 1dhm h TYR 21 Ca 0.26 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 1dhm h TYR 21 Cb 1.09 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 1dhm h TYR 21 CO 0.00 0.43 -0.09 0.00 -1.05 0.00 0.00 178.16 177.45 1dhm h ARG 22 N 0.59 0.69 -0.23 4.88 3.08 -1.15 -2.19 114.38 120.05 1dhm h ARG 22 Ca 0.16 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1dhm h ARG 22 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1dhm h ARG 22 CO -0.03 0.77 0.15 -0.07 -1.07 0.00 0.00 179.97 179.72 1dhm h LEU 23 N 0.64 0.26 -0.95 3.04 -0.00 -0.97 -0.76 115.31 116.56 1dhm h LEU 23 Ca 0.11 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.92 1dhm h LEU 23 Cb 0.53 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1dhm h LEU 23 CO 0.03 0.19 -0.00 -1.28 -0.00 0.00 0.00 178.44 177.38 1dhm h SER 24 N 0.31 0.72 -0.58 -0.43 0.87 -0.74 -2.12 113.55 111.57 1dhm h SER 24 Ca 0.08 -0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1dhm h SER 24 Cb -0.03 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 1dhm h SER 24 CO -0.02 0.80 0.38 0.50 -0.53 0.00 0.00 176.83 177.96 1dhm h LYS 25 N 0.71 0.70 -2.33 2.24 3.11 -1.09 -3.03 116.57 116.88 1dhm h LYS 25 Ca 0.14 -0.04 -0.65 0.00 -2.81 0.00 0.00 60.65 57.29 1dhm h LYS 25 Cb 0.44 -0.16 -0.38 0.00 -1.00 0.00 0.00 32.23 31.13 1dhm h LYS 25 CO 0.02 0.46 -0.23 0.66 -2.81 0.00 0.00 179.45 177.55 1dhm n TYR 26 N -4.46 3.52 0.10 1.91 4.01 -0.81 -4.79 117.16 116.64 1dhm n TYR 26 Ca 0.06 -3.70 0.02 0.00 -0.16 0.00 0.00 57.90 54.12 1dhm n TYR 26 Cb 0.10 -0.70 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 1dhm n TYR 26 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1dhm h LYS 27 N 3.91 0.00 -0.77 -0.72 1.57 -1.41 -2.77 116.57 116.37 1dhm h LYS 27 Ca 0.22 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.22 1dhm h LYS 27 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1dhm h LYS 27 CO 0.94 0.42 0.63 -0.56 -0.57 0.00 0.00 179.45 180.30 1dhm h GLN 28 N 0.00 0.00 0.00 3.15 3.07 -1.88 -1.74 115.11 117.70 1dhm h GLN 28 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1dhm h GLN 28 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.01 1dhm h GLN 28 CO 0.06 0.00 -1.36 1.47 0.09 0.00 0.00 178.83 179.09 1dhm n LEU 29 N -4.04 0.00 -4.80 0.06 -0.00 -1.24 -5.00 117.00 101.99 1dhm n LEU 29 Ca 0.16 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.80 1dhm n LEU 29 Cb 0.90 0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 44.30 1dhm n LEU 29 CO 0.35 0.04 0.57 -0.47 -0.00 0.00 0.00 177.39 177.87 1dhm s TYR 30 N -2.43 3.65 0.00 1.47 6.14 -0.66 -4.59 117.35 120.94 1dhm s TYR 30 Ca -0.03 1.64 0.00 0.00 0.64 0.00 0.00 57.07 59.32 1dhm s TYR 30 Cb 0.04 -2.81 0.00 0.00 0.42 0.00 0.00 41.96 39.61 1dhm s TYR 30 CO 0.30 0.23 0.00 -1.91 0.64 0.00 0.00 175.55 174.81 1dhm n GLU 31 N 0.53 0.00 -4.06 4.97 0.00 -0.90 -4.77 120.64 116.41 1dhm n GLU 31 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.08 1dhm n GLU 31 Cb 0.51 -0.19 -0.09 0.00 0.00 0.00 0.00 31.44 31.67 1dhm n GLU 31 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1dhm s GLN 32 N -0.99 0.93 0.08 5.31 -0.21 -1.12 -5.00 119.66 118.66 1dhm s GLN 32 Ca 0.00 -1.28 0.06 0.00 0.02 0.00 0.00 55.36 54.16 1dhm s GLN 32 Cb 0.00 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 1dhm s GLN 32 CO 0.00 -0.28 -0.16 0.54 -2.12 0.00 0.00 175.29 173.27 1dhm s VAL 33 N -3.99 1.27 0.61 1.09 0.11 -1.26 -1.54 120.40 116.69 1dhm s VAL 33 Ca 0.17 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1dhm s VAL 33 Cb 0.06 -1.20 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1dhm s VAL 33 CO -0.02 -0.18 0.85 -0.55 -3.33 0.00 0.00 175.10 171.88 1dhm s SER 34 N -1.77 5.00 -0.27 3.54 0.15 -0.05 -4.95 113.70 115.35 1dhm s SER 34 Ca 0.00 -0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.33 1dhm s SER 34 Cb -0.10 -0.68 0.01 0.00 -1.71 0.00 0.00 66.02 63.54 1dhm s SER 34 CO 0.03 -1.37 0.96 -0.94 1.20 0.00 0.00 173.24 173.12 1dhm s SER 35 N -4.51 6.92 -0.33 5.45 1.04 -1.26 -4.55 113.70 116.45 1dhm s SER 35 Ca 0.60 1.08 -0.43 0.00 0.48 0.00 0.00 55.95 57.68 1dhm s SER 35 Cb -0.09 -2.50 -0.18 0.00 0.10 0.00 0.00 66.02 63.35 1dhm s SER 35 CO 0.40 -0.69 1.60 1.07 0.98 0.00 0.00 173.24 176.61 1dhm n THR 36 N 5.51 0.13 -3.74 2.02 5.66 -1.26 -4.82 114.28 117.78 1dhm n THR 36 Ca 0.09 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1dhm n THR 36 Cb 0.47 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.46 1dhm n THR 36 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1dhm n TRP 37 N 4.30 0.00 -4.14 1.09 4.27 -1.08 -4.93 117.44 116.95 1dhm n TRP 37 Ca 0.27 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.73 1dhm n TRP 37 Cb 0.05 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.86 1dhm n TRP 37 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1dhm s HIS 38 N -0.92 0.57 -0.15 -2.67 2.46 -1.26 -1.21 115.29 112.11 1dhm s HIS 38 Ca 0.00 -0.24 -0.29 0.00 0.47 0.00 0.00 55.06 55.00 1dhm s HIS 38 Cb 0.00 -0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.05 1dhm s HIS 38 CO 0.00 -0.03 1.75 -1.58 -2.47 0.00 0.00 174.74 172.41 1dhm s TRP 39 N -0.58 1.83 0.00 3.88 0.23 -1.26 -4.75 118.94 118.29 1dhm s TRP 39 Ca -0.02 0.32 0.00 0.00 -2.03 0.00 0.00 56.10 54.37 1dhm s TRP 39 Cb -0.05 -4.00 0.00 0.00 0.03 0.00 0.00 33.47 29.45 1dhm s TRP 39 CO 0.00 -3.67 0.00 0.25 0.96 0.00 0.00 176.95 174.49 1dhm n THR 40 N 6.26 0.00 -3.62 2.01 -2.24 -1.26 -4.92 114.28 110.51 1dhm n THR 40 Ca 0.20 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.95 1dhm n THR 40 Cb 0.44 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1dhm n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dhm n THR 42 N 4.03 0.77 0.00 0.00 -1.04 -1.26 -4.99 114.28 111.79 1dhm n THR 42 Ca -0.18 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1dhm n THR 42 Cb 0.57 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 1dhm n THR 42 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dhm n ASP 43 N -2.83 0.00 0.00 8.00 2.03 -1.26 -5.14 116.55 117.35 1dhm n ASP 43 Ca -0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1dhm n ASP 43 Cb 0.77 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 1dhm n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dhm n GLY 44 N -1.37 3.09 3.52 0.27 0.00 -1.26 -5.18 105.19 104.25 1dhm n GLY 44 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1dhm n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dhm s LYS 45 N 3.21 1.92 -0.34 1.61 -0.14 -1.26 -4.99 119.74 119.75 1dhm s LYS 45 Ca 0.00 -2.17 0.10 0.00 -1.36 0.00 0.00 55.97 52.54 1dhm s LYS 45 Cb 0.00 -0.66 0.35 0.00 -1.68 0.00 0.00 37.83 35.84 1dhm s LYS 45 CO 0.00 -0.45 1.37 1.58 -0.76 0.00 0.00 175.35 177.09 1dhm n HIS 46 N -0.91 -1.97 -3.21 3.18 -0.00 -1.26 -5.03 115.22 106.03 1dhm n HIS 46 Ca -0.06 -1.60 -0.10 0.00 0.46 0.00 0.00 57.72 56.42 1dhm n HIS 46 Cb 0.65 1.49 0.00 0.00 -0.12 0.00 0.00 29.99 32.01 1dhm n HIS 46 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1dhm n LYS 47 N -1.03 -1.60 -2.66 1.57 5.02 -1.26 -4.97 118.16 113.23 1dhm n LYS 47 Ca -0.12 1.45 -0.03 0.00 -2.02 0.00 0.00 58.31 57.59 1dhm n LYS 47 Cb 0.83 -4.74 0.10 0.00 -0.02 0.00 0.00 35.03 31.20 1dhm n LYS 47 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1dhm n ASN 48 N -1.58 -1.16 -4.67 4.39 0.23 -0.94 -4.62 115.26 106.91 1dhm n ASN 48 Ca -0.05 -1.71 -0.32 0.00 -0.53 0.00 0.00 54.58 51.96 1dhm n ASN 48 Cb 0.55 0.93 -0.09 0.00 -2.08 0.00 0.00 39.78 39.09 1dhm n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dhm s ALA 49 N 0.04 3.24 -0.07 -2.53 0.00 -1.25 -4.57 121.76 116.62 1dhm s ALA 49 Ca 0.22 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1dhm s ALA 49 Cb 0.26 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1dhm s ALA 49 CO -0.16 0.65 -0.18 0.42 0.00 0.00 0.00 175.76 176.49 1dhm s ILE 50 N -1.11 2.67 0.14 0.00 1.09 -0.35 -2.61 121.20 121.02 1dhm s ILE 50 Ca 0.20 -0.85 0.06 0.00 -1.10 0.00 0.00 60.65 58.97 1dhm s ILE 50 Cb -0.11 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.21 1dhm s ILE 50 CO 0.11 0.57 0.00 0.54 -0.10 0.00 0.00 174.94 176.07 1dhm s VAL 51 N -0.27 3.88 -0.37 2.92 0.11 -1.11 -2.65 120.40 122.90 1dhm s VAL 51 Ca 0.01 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 57.77 1dhm s VAL 51 Cb -0.13 -2.90 0.06 0.00 -1.53 0.00 0.00 36.38 31.87 1dhm s VAL 51 CO 0.03 -0.01 0.17 -0.89 -3.33 0.00 0.00 175.10 171.07 1dhm s THR 52 N -1.53 3.93 0.58 5.04 2.01 -1.26 -2.39 115.64 122.02 1dhm s THR 52 Ca 0.27 -1.29 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1dhm s THR 52 Cb -0.10 -3.32 0.05 0.00 0.01 0.00 0.00 72.50 69.13 1dhm s THR 52 CO 0.19 -0.34 0.81 -0.76 -0.69 0.00 0.00 174.62 173.83 1dhm s LEU 53 N 1.39 3.22 -0.03 4.42 1.43 -0.92 -0.87 118.68 127.32 1dhm s LEU 53 Ca 0.01 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1dhm s LEU 53 Cb -0.21 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.37 1dhm s LEU 53 CO 0.02 -1.27 0.27 0.28 0.23 0.00 0.00 176.35 175.88 1dhm s THR 54 N -2.82 0.05 0.00 5.49 -1.32 -0.59 -2.78 115.64 113.67 1dhm s THR 54 Ca 0.59 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1dhm s THR 54 Cb -0.09 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1dhm s THR 54 CO 0.39 -0.22 0.00 -1.22 -2.21 0.00 0.00 174.62 171.36 1dhm n TYR 55 N 1.73 -0.07 -0.10 9.09 4.01 -1.07 -2.13 117.16 128.63 1dhm n TYR 55 Ca -0.20 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.37 1dhm n TYR 55 Cb 0.56 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.51 1dhm n TYR 55 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1dhm n ILE 56 N -0.02 1.09 -4.46 -0.72 5.41 -1.26 -4.74 119.36 114.65 1dhm n ILE 56 Ca 0.00 -0.35 -0.23 0.00 1.00 0.00 0.00 62.75 63.17 1dhm n ILE 56 Cb 0.00 -1.47 -0.10 0.00 -0.71 0.00 0.00 39.64 37.36 1dhm n ILE 56 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1dhm s SER 57 N -6.32 3.31 0.24 4.38 1.04 -1.26 -4.90 113.70 110.20 1dhm s SER 57 Ca -0.27 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.00 1dhm s SER 57 Cb 0.09 -0.26 0.24 0.00 0.10 0.00 0.00 66.02 66.18 1dhm s SER 57 CO 0.39 -0.12 1.91 0.74 0.98 0.00 0.00 173.24 177.14 1dhm h THR 58 N 2.26 1.25 0.00 2.02 2.02 -1.96 -1.04 112.91 117.47 1dhm h THR 58 Ca -0.40 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1dhm h THR 58 Cb 1.25 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1dhm h THR 58 CO 0.64 0.25 -0.13 -1.28 0.37 0.00 0.00 175.52 175.37 1dhm h SER 59 N 1.30 0.00 0.73 4.18 0.87 -2.00 -1.30 113.55 117.33 1dhm h SER 59 Ca 0.35 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1dhm h SER 59 Cb -0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1dhm h SER 59 CO -0.07 0.13 -0.46 1.56 -0.53 0.00 0.00 176.83 177.46 1dhm h GLN 60 N 0.00 0.00 0.16 2.24 4.20 -1.58 -2.13 115.11 118.00 1dhm h GLN 60 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1dhm h GLN 60 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1dhm h GLN 60 CO 0.02 0.46 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.48 1dhm h ARG 61 N 0.00 -0.20 -0.18 1.46 1.12 -0.94 -1.89 114.38 113.75 1dhm h ARG 61 Ca -0.00 0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1dhm h ARG 61 Cb 0.95 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.95 1dhm h ARG 61 CO 0.06 0.23 -0.00 0.22 -3.11 0.00 0.00 179.97 177.36 1dhm h ASP 62 N -0.75 0.23 0.18 -3.80 1.82 -1.53 -1.83 116.42 110.73 1dhm h ASP 62 Ca -0.02 -0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.46 1dhm h ASP 62 Cb 0.52 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1dhm h ASP 62 CO 0.04 0.28 -0.48 0.44 -1.61 0.00 0.00 179.24 177.91 1dhm h ASP 63 N 0.25 0.39 0.40 2.28 5.19 -1.35 -2.23 116.42 121.36 1dhm h ASP 63 Ca 0.06 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1dhm h ASP 63 Cb 0.18 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.59 1dhm h ASP 63 CO 0.00 0.81 -0.19 0.15 -3.12 0.00 0.00 179.24 176.89 1dhm h PHE 64 N 0.29 -0.50 0.00 4.55 3.57 -0.48 0.75 116.94 125.12 1dhm h PHE 64 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dhm h PHE 64 Cb 0.96 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1dhm h PHE 64 CO 0.03 -0.20 0.00 1.47 -2.23 0.00 0.00 178.31 177.38 1dhm n LEU 65 N -5.23 0.46 -0.32 0.59 -0.00 -1.09 -2.19 117.00 109.23 1dhm n LEU 65 Ca -0.10 0.65 0.03 0.00 -0.00 0.00 0.00 56.01 56.58 1dhm n LEU 65 Cb 0.28 -0.62 0.05 0.00 -0.00 0.00 0.00 43.42 43.13 1dhm n LEU 65 CO 0.32 -0.60 0.45 0.59 -0.00 0.00 0.00 177.39 178.15 1dhm n ASN 66 N -2.04 1.98 0.01 1.45 3.02 -0.84 -4.82 115.26 114.02 1dhm n ASN 66 Ca 0.01 -1.58 -0.01 0.00 -0.03 0.00 0.00 54.58 52.97 1dhm n ASN 66 Cb 0.15 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1dhm n ASN 66 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1dhm n THR 67 N 0.26 0.64 -1.88 3.41 -1.04 0.26 -5.00 114.28 110.94 1dhm n THR 67 Ca 0.05 0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1dhm n THR 67 Cb 0.25 -1.39 -0.01 0.00 -1.82 0.00 0.00 70.33 67.36 1dhm n THR 67 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dhm s VAL 68 N -1.57 2.22 -1.16 12.58 0.11 -1.04 -4.87 120.40 126.67 1dhm s VAL 68 Ca -0.02 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 1dhm s VAL 68 Cb 0.00 -3.14 0.05 0.00 -1.53 0.00 0.00 36.38 31.76 1dhm s VAL 68 CO 0.03 0.05 1.64 -0.75 -3.33 0.00 0.00 175.10 172.74 1dhm s LYS 69 N -1.80 3.68 0.69 1.54 2.20 -1.26 -4.86 119.74 119.93 1dhm s LYS 69 Ca 0.53 -1.51 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 1dhm s LYS 69 Cb -0.45 -5.43 0.02 0.00 -1.51 0.00 0.00 37.83 30.46 1dhm s LYS 69 CO 0.59 -2.38 1.15 0.42 -0.36 0.00 0.00 175.35 174.77 1dhm s ILE 70 N 5.16 2.83 0.24 5.43 1.09 -1.26 -4.96 121.20 129.73 1dhm s ILE 70 Ca 0.52 0.40 -0.30 0.00 -1.10 0.00 0.00 60.65 60.17 1dhm s ILE 70 Cb 0.02 -2.93 -0.09 0.00 -1.06 0.00 0.00 42.46 38.40 1dhm s ILE 70 CO 0.00 -0.23 1.19 -2.16 -0.10 0.00 0.00 174.94 173.65 1dhm s PRO 71 N -4.01 4.51 0.36 2.79 0.04 -1.26 -4.93 135.00 132.50 1dhm s PRO 71 Ca 0.70 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.73 1dhm s PRO 71 Cb -0.24 -3.20 0.70 0.00 0.04 0.00 0.00 34.50 31.80 1dhm s PRO 71 CO 0.43 -0.03 1.90 -0.97 0.04 0.00 0.00 177.00 178.37 1dhm h ASN 72 N 4.56 0.37 -0.57 6.66 -1.24 -2.02 -1.92 115.58 121.42 1dhm h ASN 72 Ca -0.46 -0.07 0.15 0.00 0.71 0.00 0.00 56.30 56.63 1dhm h ASN 72 Cb 1.21 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 1dhm h ASN 72 CO 0.71 0.47 0.40 0.74 -1.29 0.00 0.00 177.43 178.46 1dhm h THR 73 N 0.38 0.76 -2.16 -3.57 2.02 -1.95 -3.41 112.91 104.98 1dhm h THR 73 Ca 0.08 -0.04 -0.44 0.00 0.77 0.00 0.00 66.41 66.79 1dhm h THR 73 Cb 0.33 0.65 0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1dhm h THR 73 CO 0.01 0.02 -0.06 0.54 0.37 0.00 0.00 175.52 176.40 1dhm s VAL 74 N -5.11 2.62 -0.05 3.16 0.11 -0.72 -4.52 120.40 115.89 1dhm s VAL 74 Ca -0.06 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1dhm s VAL 74 Cb 0.20 -2.89 0.04 0.00 -1.53 0.00 0.00 36.38 32.20 1dhm s VAL 74 CO 0.74 0.00 0.09 -0.55 -3.33 0.00 0.00 175.10 172.05 1dhm s SER 75 N -4.47 0.45 -0.04 3.54 0.15 -0.22 -4.88 113.70 108.23 1dhm s SER 75 Ca 0.58 0.17 -0.24 0.00 0.70 0.00 0.00 55.95 57.16 1dhm s SER 75 Cb -0.09 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1dhm s SER 75 CO 0.38 -0.19 0.74 0.68 1.20 0.00 0.00 173.24 176.05 1dhm s VAL 76 N 1.64 4.97 -0.12 4.45 -7.23 -1.26 -2.34 120.40 120.51 1dhm s VAL 76 Ca -0.03 1.54 0.02 0.00 -1.81 0.00 0.00 61.98 61.70 1dhm s VAL 76 Cb -0.12 -4.08 0.01 0.00 0.56 0.00 0.00 36.38 32.75 1dhm s VAL 76 CO -0.04 0.26 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.26 1dhm s SER 77 N 0.66 2.90 0.37 4.85 0.15 -0.81 -4.91 113.70 116.90 1dhm s SER 77 Ca 0.39 -0.54 -0.25 0.00 0.70 0.00 0.00 55.95 56.25 1dhm s SER 77 Cb -0.19 -1.33 -0.12 0.00 -1.71 0.00 0.00 66.02 62.67 1dhm s SER 77 CO 0.20 0.07 0.89 0.41 1.20 0.00 0.00 173.24 176.01 1dhm n THR 78 N 4.03 2.14 -4.00 6.45 -1.04 -1.26 -1.98 114.28 118.61 1dhm n THR 78 Ca -0.20 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.22 1dhm n THR 78 Cb 0.52 -0.93 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 1dhm n THR 78 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1dhm s GLY 79 N -0.74 0.50 -0.36 3.41 0.00 0.32 -4.77 107.32 105.67 1dhm s GLY 79 Ca 0.62 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1dhm s GLY 79 CO 0.58 -1.04 0.43 -0.47 0.00 0.00 0.00 173.10 172.60 1dhm s TYR 80 N -3.95 -0.71 0.36 1.90 5.04 -1.26 -2.64 117.35 116.09 1dhm s TYR 80 Ca 0.14 -0.40 0.08 0.00 -2.44 0.00 0.00 57.07 54.44 1dhm s TYR 80 Cb 0.06 -0.22 0.68 0.00 0.35 0.00 0.00 41.96 42.82 1dhm s TYR 80 CO -0.04 -1.01 1.87 1.98 -1.34 0.00 0.00 175.55 177.00 1dhm h MET 81 N 7.27 0.32 -3.13 4.97 1.85 -1.64 -3.46 114.93 121.11 1dhm h MET 81 Ca 0.02 -0.08 -0.37 0.00 -0.61 0.00 0.00 59.70 58.66 1dhm h MET 81 Cb 1.09 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 33.06 1dhm h MET 81 CO 0.19 0.46 -0.46 2.41 -0.40 0.00 0.00 176.91 179.12 1dhm n THR 82 N -4.24 -0.82 -1.27 -0.77 -1.04 -1.22 -4.95 114.28 99.97 1dhm n THR 82 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1dhm n THR 82 Cb 0.29 -2.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 1dhm n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43