#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npt s MET 4 N 0.00 1.94 0.07 4.33 1.00 -1.26 -5.14 119.30 120.25 2npt s MET 4 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 54.97 2npt s MET 4 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 34.83 33.06 2npt s MET 4 CO 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 175.02 175.32 2npt s ALA 5 N -0.20 0.74 0.15 3.03 0.00 -1.26 -5.13 121.76 119.09 2npt s ALA 5 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 2npt s ALA 5 Cb -0.11 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 2npt s ALA 5 CO 0.01 -0.24 1.36 -0.51 0.00 0.00 0.00 175.76 176.38 2npt s LEU 6 N -2.72 4.39 0.00 0.00 1.43 -1.26 -5.04 118.68 115.48 2npt s LEU 6 Ca 0.06 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.42 2npt s LEU 6 Cb 0.03 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.80 2npt s LEU 6 CO -0.05 -0.60 0.87 0.61 0.23 0.00 0.00 176.35 177.40 2npt n GLY 7 N 3.05 -1.00 3.77 -3.19 0.00 -1.26 -5.04 105.19 101.52 2npt n GLY 7 Ca 0.09 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2npt n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2npt s PRO 8 N -4.85 4.32 -0.44 1.61 0.04 -1.26 -5.00 135.00 129.42 2npt s PRO 8 Ca 0.50 2.26 -0.18 0.00 0.04 0.00 0.00 61.00 63.62 2npt s PRO 8 Cb -0.02 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2npt s PRO 8 CO 0.35 -0.25 0.51 -0.06 0.04 0.00 0.00 177.00 177.59 2npt s PHE 9 N -1.00 3.13 0.65 0.56 0.08 -1.26 -5.09 117.98 115.06 2npt s PHE 9 Ca 0.51 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 57.02 2npt s PHE 9 Cb -0.41 -3.11 -0.01 0.00 -0.57 0.00 0.00 43.02 38.93 2npt s PHE 9 CO 0.53 -0.80 1.29 -1.25 -0.10 0.00 0.00 175.22 174.89 2npt s PRO 10 N 2.35 2.53 0.17 0.24 0.04 -1.26 -4.92 135.00 134.16 2npt s PRO 10 Ca 0.15 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 2npt s PRO 10 Cb -0.17 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.62 2npt s PRO 10 CO 0.14 -1.61 1.60 0.00 0.04 0.00 0.00 177.00 177.17 2npt h ALA 11 N 0.52 -0.06 -3.00 8.56 0.00 -1.99 -3.52 119.26 119.76 2npt h ALA 11 Ca -0.51 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2npt h ALA 11 Cb 1.34 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2npt h ALA 11 CO 0.53 -0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2npt n MET 12 N -5.42 0.00 0.00 0.00 -0.00 -1.26 -4.82 117.12 105.62 2npt n MET 12 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 2npt n MET 12 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.56 2npt n MET 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2npt n GLN 15 N 0.00 0.00 -3.33 3.17 7.27 -1.26 -5.11 117.38 118.12 2npt n GLN 15 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 2npt n GLN 15 Cb 0.00 -0.10 -0.06 0.00 2.41 0.00 0.00 30.24 32.50 2npt n GLN 15 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2npt s VAL 16 N 0.00 4.85 -0.15 1.69 0.11 -1.26 -5.05 120.40 120.59 2npt s VAL 16 Ca 0.00 0.64 -0.24 0.00 -2.93 0.00 0.00 61.98 59.46 2npt s VAL 16 Cb 0.00 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2npt s VAL 16 CO 0.00 -0.06 0.75 -0.22 -3.33 0.00 0.00 175.10 172.24 2npt s LEU 17 N -2.76 4.20 -0.20 2.54 2.96 -1.26 -4.98 118.68 119.18 2npt s LEU 17 Ca 0.48 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.46 2npt s LEU 17 Cb -0.11 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2npt s LEU 17 CO 0.20 -0.30 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.17 2npt s VAL 18 N 1.76 3.27 -0.30 1.68 1.01 -1.26 -0.04 120.40 126.51 2npt s VAL 18 Ca 0.36 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2npt s VAL 18 Cb -0.17 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2npt s VAL 18 CO 0.13 0.45 0.19 -0.63 0.00 0.00 0.00 175.10 175.24 2npt s ILE 19 N 1.23 5.04 -0.44 2.22 1.01 0.05 -1.08 121.20 129.23 2npt s ILE 19 Ca 0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 2npt s ILE 19 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.85 2npt s ILE 19 CO -0.02 0.13 0.67 -0.60 0.00 0.00 0.00 174.94 175.11 2npt s ARG 20 N 1.70 3.30 -0.52 2.79 3.52 0.45 -0.38 118.95 129.81 2npt s ARG 20 Ca 0.06 -0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.12 2npt s ARG 20 Cb -0.17 -3.95 0.06 0.00 -1.56 0.00 0.00 34.95 29.33 2npt s ARG 20 CO 0.09 -1.03 0.71 0.42 -0.81 0.00 0.00 175.30 174.68 2npt s ILE 21 N 2.90 4.75 -0.18 4.11 1.01 0.63 -0.93 121.20 133.48 2npt s ILE 21 Ca 0.24 -0.34 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 2npt s ILE 21 Cb -0.14 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2npt s ILE 21 CO 0.20 -0.90 0.89 -0.75 0.00 0.00 0.00 174.94 174.37 2npt s LYS 22 N 2.96 4.29 -0.18 2.79 2.47 0.15 -1.49 119.74 130.72 2npt s LYS 22 Ca 0.18 1.11 -0.06 0.00 -1.56 0.00 0.00 55.97 55.65 2npt s LYS 22 Cb -0.18 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.57 2npt s LYS 22 CO 0.13 -0.40 0.02 0.42 0.16 0.00 0.00 175.35 175.68 2npt s ILE 23 N 2.40 4.33 -0.09 5.43 -1.09 0.18 -4.19 121.20 128.18 2npt s ILE 23 Ca 0.40 -0.19 -0.36 0.00 -2.23 0.00 0.00 60.65 58.27 2npt s ILE 23 Cb -0.16 -2.94 -0.13 0.00 -1.58 0.00 0.00 42.46 37.64 2npt s ILE 23 CO 0.11 0.45 1.79 -0.81 -1.23 0.00 0.00 174.94 175.25 2npt n PRO 24 N 3.80 1.89 -2.35 2.79 -0.04 -1.26 -1.99 135.00 137.83 2npt n PRO 24 Ca -0.17 0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 63.84 2npt n PRO 24 Cb 0.52 -2.48 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 2npt n PRO 24 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2npt n ASN 25 N 5.76 -4.40 0.00 3.54 5.03 -1.26 -4.73 115.26 119.20 2npt n ASN 25 Ca 0.23 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.83 2npt n ASN 25 Cb 0.25 -3.74 0.00 0.00 -1.02 0.00 0.00 39.78 35.27 2npt n ASN 25 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2npt n SER 26 N -1.76 0.00 0.00 6.41 7.64 -0.84 -5.16 113.62 119.90 2npt n SER 26 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2npt n SER 26 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2npt n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2npt n GLY 27 N 0.25 0.58 3.11 0.23 0.00 -1.13 -4.99 105.19 103.24 2npt n GLY 27 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 2npt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npt s ALA 28 N -1.38 -0.34 -0.16 4.61 0.00 -1.26 -0.64 121.76 122.59 2npt s ALA 28 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2npt s ALA 28 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2npt s ALA 28 CO 0.00 -0.21 -0.17 0.08 0.00 0.00 0.00 175.76 175.46 2npt s VAL 29 N -1.40 2.50 -0.42 0.00 1.01 -0.56 -4.96 120.40 116.58 2npt s VAL 29 Ca -0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2npt s VAL 29 Cb -0.08 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2npt s VAL 29 CO 0.02 0.52 0.48 -1.81 0.00 0.00 0.00 175.10 174.30 2npt s ASP 30 N 0.88 6.22 -0.35 3.32 1.01 -1.26 -0.27 116.67 126.22 2npt s ASP 30 Ca -0.04 -0.56 -0.12 0.00 0.71 0.00 0.00 52.55 52.54 2npt s ASP 30 Cb -0.15 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2npt s ASP 30 CO -0.02 -0.60 0.23 0.86 0.21 0.00 0.00 175.17 175.85 2npt s TRP 31 N 2.27 3.22 -0.33 4.23 -0.00 0.49 -4.95 118.94 123.88 2npt s TRP 31 Ca 0.14 -0.50 -0.24 0.00 -0.00 0.00 0.00 56.10 55.51 2npt s TRP 31 Cb -0.16 -2.47 0.00 0.00 -0.00 0.00 0.00 33.47 30.84 2npt s TRP 31 CO 0.15 -0.48 0.81 0.99 -0.00 0.00 0.00 176.95 178.42 2npt s THR 32 N 1.66 4.74 -0.22 5.86 2.01 -1.26 -0.77 115.64 127.66 2npt s THR 32 Ca 0.05 1.14 -0.16 0.00 0.31 0.00 0.00 61.69 63.02 2npt s THR 32 Cb -0.18 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2npt s THR 32 CO 0.09 -0.33 0.44 -0.69 -0.69 0.00 0.00 174.62 173.43 2npt s VAL 33 N 3.07 5.16 -0.02 3.82 1.01 0.94 -5.00 120.40 129.38 2npt s VAL 33 Ca 0.33 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 2npt s VAL 33 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2npt s VAL 33 CO 0.14 0.20 1.26 -1.38 0.00 0.00 0.00 175.10 175.31 2npt s HIS 34 N 1.65 3.15 0.05 5.22 -3.43 -1.26 -4.11 115.29 116.55 2npt s HIS 34 Ca 0.20 1.12 -0.24 0.00 -0.80 0.00 0.00 55.06 55.34 2npt s HIS 34 Cb -0.15 -3.49 -0.06 0.00 -1.43 0.00 0.00 32.58 27.45 2npt s HIS 34 CO 0.09 -1.62 0.73 -1.12 -2.00 0.00 0.00 174.74 170.82 2npt s SER 35 N 1.50 7.19 0.10 7.38 0.01 -1.26 -4.98 113.70 123.64 2npt s SER 35 Ca 0.59 1.42 -0.30 0.00 1.31 0.00 0.00 55.95 58.96 2npt s SER 35 Cb -0.27 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.45 2npt s SER 35 CO 0.25 0.06 1.10 -1.58 0.41 0.00 0.00 173.24 173.47 2npt s GLN 38 N -0.22 4.54 -0.16 12.44 2.00 -1.26 -5.24 119.66 131.76 2npt s GLN 38 Ca 0.37 1.66 -0.29 0.00 -2.00 0.00 0.00 55.36 55.09 2npt s GLN 38 Cb -0.20 -3.35 -0.02 0.00 0.80 0.00 0.00 33.01 30.24 2npt s GLN 38 CO 0.22 -0.06 1.34 -1.17 -0.50 0.00 0.00 175.29 175.13 2npt s LEU 39 N 0.44 4.17 0.04 3.68 2.96 -1.26 -5.04 118.68 123.67 2npt s LEU 39 Ca 0.53 1.74 -0.03 0.00 -0.22 0.00 0.00 54.13 56.14 2npt s LEU 39 Cb -0.27 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2npt s LEU 39 CO 0.31 -0.83 0.25 -0.76 -1.32 0.00 0.00 176.35 174.00 2npt s LEU 40 N 3.72 4.35 0.22 -0.68 1.43 -1.26 -4.97 118.68 121.49 2npt s LEU 40 Ca 0.58 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 2npt s LEU 40 Cb -0.23 -2.85 0.35 0.00 0.03 0.00 0.00 46.19 43.48 2npt s LEU 40 CO 0.18 0.20 1.70 0.15 0.23 0.00 0.00 176.35 178.81 2npt h PHE 41 N 3.47 0.23 -0.87 0.29 3.57 -1.92 -0.65 116.94 121.05 2npt h PHE 41 Ca -0.48 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.21 2npt h PHE 41 Cb 1.18 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 2npt h PHE 41 CO 0.65 -0.05 0.47 -0.09 -2.23 0.00 0.00 178.31 177.06 2npt h ARG 42 N 0.27 0.66 -0.22 1.11 2.43 -1.97 -1.44 114.38 115.21 2npt h ARG 42 Ca 0.35 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.31 2npt h ARG 42 Cb 0.55 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2npt h ARG 42 CO -0.44 0.43 -0.55 -0.44 -1.51 0.00 0.00 179.97 177.46 2npt h ASP 43 N 0.68 0.72 -0.39 -3.80 3.32 -1.53 -1.23 116.42 114.18 2npt h ASP 43 Ca 0.47 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2npt h ASP 43 Cb 0.64 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2npt h ASP 43 CO -0.35 1.12 0.16 0.58 -1.72 0.00 0.00 179.24 179.04 2npt h VAL 44 N 0.50 1.19 -0.54 -1.35 2.07 -0.90 -1.65 116.25 115.57 2npt h VAL 44 Ca 0.01 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2npt h VAL 44 Cb 1.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2npt h VAL 44 CO 0.11 0.21 0.31 -0.07 0.02 0.00 0.00 177.57 178.15 2npt h LEU 45 N 0.48 0.64 -0.26 2.57 3.38 -1.06 -0.70 115.31 120.37 2npt h LEU 45 Ca 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2npt h LEU 45 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2npt h LEU 45 CO -0.01 0.51 0.05 -0.78 0.09 0.00 0.00 178.44 178.29 2npt h ASP 46 N 0.74 0.40 -0.40 -0.43 3.58 -0.84 0.09 116.42 119.57 2npt h ASP 46 Ca 0.19 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2npt h ASP 46 Cb -0.01 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2npt h ASP 46 CO -0.03 0.55 0.14 0.58 -2.88 0.00 0.00 179.24 177.59 2npt h VAL 47 N 0.24 1.21 -0.82 2.25 2.07 -0.78 -1.93 116.25 118.48 2npt h VAL 47 Ca 0.08 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 67.01 2npt h VAL 47 Cb 0.32 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2npt h VAL 47 CO 0.00 0.24 0.48 0.40 0.02 0.00 0.00 177.57 178.71 2npt h ILE 48 N 0.50 0.93 0.00 4.57 2.04 -0.98 -1.46 117.51 123.11 2npt h ILE 48 Ca 0.13 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2npt h ILE 48 Cb 0.23 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2npt h ILE 48 CO -0.01 0.15 -0.25 1.23 0.00 0.00 0.00 178.15 179.28 2npt h GLY 49 N 0.82 0.00 0.79 5.37 0.00 -0.46 0.10 103.07 109.69 2npt h GLY 49 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 2npt h GLY 49 CO -0.23 0.00 -0.27 1.46 0.00 0.00 0.00 176.54 177.50 2npt h GLN 50 N 0.00 0.44 0.00 4.80 4.20 -0.54 -3.27 115.11 120.74 2npt h GLN 50 Ca -0.00 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 2npt h GLN 50 Cb 0.55 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2npt h GLN 50 CO 0.03 0.88 -0.65 -0.39 -0.67 0.00 0.00 178.83 178.03 2npt h VAL 51 N 0.05 0.16 -2.14 -0.54 -1.51 -0.90 -3.35 116.25 108.01 2npt h VAL 51 Ca 0.01 -1.26 -0.58 0.00 -1.23 0.00 0.00 66.70 63.64 2npt h VAL 51 Cb 0.86 1.84 -0.41 0.00 -2.13 0.00 0.00 31.29 31.45 2npt h VAL 51 CO 0.06 0.09 -0.77 -0.11 -1.23 0.00 0.00 177.57 175.61 2npt n LEU 52 N -2.91 2.74 0.18 4.19 7.94 0.31 -4.99 117.00 124.47 2npt n LEU 52 Ca 0.00 -5.25 0.13 0.00 -1.11 0.00 0.00 56.01 49.78 2npt n LEU 52 Cb 0.60 -0.23 0.34 0.00 0.53 0.00 0.00 43.42 44.67 2npt n LEU 52 CO 0.38 2.11 0.86 1.55 -1.11 0.00 0.00 177.39 181.19 2npt h PRO 53 N 3.91 0.00 -0.51 1.96 0.13 -1.71 -3.18 132.00 132.59 2npt h PRO 53 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2npt h PRO 53 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2npt h PRO 53 CO 0.72 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 2npt n GLU 54 N -2.73 3.21 -4.13 0.86 -0.58 -1.26 -4.86 120.64 111.15 2npt n GLU 54 Ca 0.04 -2.60 -0.24 0.00 -0.42 0.00 0.00 57.16 53.94 2npt n GLU 54 Cb 0.44 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 2npt n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2npt s ALA 55 N -1.62 3.47 -0.10 0.62 0.00 -1.20 -5.14 121.76 117.79 2npt s ALA 55 Ca 0.41 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2npt s ALA 55 Cb 0.26 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2npt s ALA 55 CO 0.21 0.00 -0.13 0.99 0.00 0.00 0.00 175.76 176.83 2npt s THR 56 N -2.47 3.07 -0.15 0.00 2.01 -1.26 -4.99 115.64 111.84 2npt s THR 56 Ca 0.38 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2npt s THR 56 Cb -0.01 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.26 2npt s THR 56 CO 0.22 0.55 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.65 2npt s THR 57 N -0.00 1.66 -0.21 -0.82 2.01 -1.26 -4.53 115.64 112.48 2npt s THR 57 Ca -0.04 -0.69 0.18 0.00 0.31 0.00 0.00 61.69 61.45 2npt s THR 57 Cb -0.14 -1.54 -0.25 0.00 0.01 0.00 0.00 72.50 70.58 2npt s THR 57 CO 0.04 0.47 0.47 0.35 -0.69 0.00 0.00 174.62 175.26 2npt n THR 58 N 4.68 0.00 -3.93 -0.82 -2.24 -1.13 -4.98 114.28 105.86 2npt n THR 58 Ca -0.18 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2npt n THR 58 Cb 0.50 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 2npt n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2npt s ALA 59 N -3.07 -0.35 0.18 6.98 0.00 -1.09 -4.89 121.76 119.52 2npt s ALA 59 Ca -0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 2npt s ALA 59 Cb 0.12 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 2npt s ALA 59 CO 0.72 -0.92 0.30 -0.59 0.00 0.00 0.00 175.76 175.27 2npt s PHE 60 N -3.14 0.49 0.18 0.00 -0.12 -1.18 -0.64 117.98 113.59 2npt s PHE 60 Ca 0.20 -0.84 0.09 0.00 -0.05 0.00 0.00 56.93 56.33 2npt s PHE 60 Cb -0.03 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 2npt s PHE 60 CO 0.12 -0.76 -0.12 -1.21 -0.05 0.00 0.00 175.22 173.21 2npt s GLU 61 N -4.00 1.96 0.20 1.99 2.02 0.09 -0.16 118.70 120.79 2npt s GLU 61 Ca 0.21 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2npt s GLU 61 Cb 0.03 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2npt s GLU 61 CO 0.03 0.43 0.03 1.52 0.02 0.00 0.00 175.26 177.29 2npt s TYR 62 N -1.71 1.30 -0.21 1.61 -0.85 -0.11 -0.99 117.35 116.38 2npt s TYR 62 Ca 0.24 -1.08 -0.11 0.00 -0.52 0.00 0.00 57.07 55.60 2npt s TYR 62 Cb -0.09 -0.74 -0.05 0.00 0.38 0.00 0.00 41.96 41.46 2npt s TYR 62 CO 0.14 -0.27 0.17 -1.21 -1.52 0.00 0.00 175.55 172.87 2npt s GLU 63 N -3.96 4.16 0.45 -3.49 2.02 -1.26 -0.25 118.70 116.36 2npt s GLU 63 Ca 0.28 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 55.08 2npt s GLU 63 Cb 0.07 -3.47 0.09 0.00 0.10 0.00 0.00 34.13 30.92 2npt s GLU 63 CO 0.07 0.20 0.61 -0.40 0.02 0.00 0.00 175.26 175.76 2npt n ASP 64 N 3.82 0.67 0.23 -0.19 5.75 -0.39 -4.90 116.55 121.54 2npt n ASP 64 Ca -0.15 -1.60 0.16 0.00 -0.01 0.00 0.00 54.79 53.19 2npt n ASP 64 Cb 0.52 -0.41 0.76 0.00 -1.03 0.00 0.00 41.12 40.96 2npt n ASP 64 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2npt h GLU 65 N 0.00 0.00 -0.02 0.11 9.09 -1.99 -0.23 114.58 121.55 2npt h GLU 65 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 2npt h GLU 65 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2npt h GLU 65 CO 0.20 0.00 -0.02 -0.25 0.05 0.00 0.00 179.01 179.00 2npt n ASP 66 N -2.65 1.62 -0.05 3.06 8.00 -1.26 -4.94 116.55 120.32 2npt n ASP 66 Ca -0.01 -1.51 -0.01 0.00 0.71 0.00 0.00 54.79 53.97 2npt n ASP 66 Cb 0.15 0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2npt n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2npt n GLY 67 N 1.20 0.47 3.83 0.44 0.00 -0.10 -5.04 105.19 106.00 2npt n GLY 67 Ca 0.18 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2npt n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2npt s ASP 68 N -2.23 6.95 -0.25 1.61 1.01 -1.26 -4.76 116.67 117.75 2npt s ASP 68 Ca 0.00 1.25 -0.29 0.00 0.71 0.00 0.00 52.55 54.22 2npt s ASP 68 Cb 0.00 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2npt s ASP 68 CO 0.00 0.08 1.07 -0.13 0.21 0.00 0.00 175.17 176.40 2npt s ARG 69 N -1.91 4.20 -0.18 8.23 1.81 -1.26 -1.26 118.95 128.58 2npt s ARG 69 Ca 0.40 1.30 -0.05 0.00 -1.72 0.00 0.00 55.73 55.66 2npt s ARG 69 Cb -0.16 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.63 2npt s ARG 69 CO 0.20 -0.71 0.01 0.42 -0.68 0.00 0.00 175.30 174.53 2npt s ILE 70 N 3.36 4.20 0.05 1.52 -1.09 0.65 -4.94 121.20 124.95 2npt s ILE 70 Ca 0.45 -0.24 -0.20 0.00 -2.23 0.00 0.00 60.65 58.43 2npt s ILE 70 Cb -0.15 -2.88 -0.06 0.00 -1.58 0.00 0.00 42.46 37.79 2npt s ILE 70 CO 0.09 0.46 0.59 -0.89 -1.23 0.00 0.00 174.94 173.96 2npt s THR 71 N 0.59 4.77 -0.16 2.92 2.01 -1.26 -0.94 115.64 123.58 2npt s THR 71 Ca -0.00 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.25 2npt s THR 71 Cb -0.14 -3.92 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 2npt s THR 71 CO 0.02 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 2npt s VAL 72 N -0.83 2.67 -0.00 3.82 1.01 0.77 -4.98 120.40 122.86 2npt s VAL 72 Ca 0.30 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2npt s VAL 72 Cb -0.19 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2npt s VAL 72 CO 0.19 0.51 0.73 0.54 0.00 0.00 0.00 175.10 177.08 2npt n ARG 73 N 4.07 1.35 -3.44 2.72 1.74 -1.26 -3.11 116.66 118.73 2npt n ARG 73 Ca -0.19 -0.97 -0.11 0.00 -0.77 0.00 0.00 57.85 55.80 2npt n ARG 73 Cb 0.52 -0.73 -0.02 0.00 -1.02 0.00 0.00 32.46 31.20 2npt n ARG 73 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2npt s SER 74 N -0.48 -0.54 0.31 0.55 1.04 -1.26 -5.04 113.70 108.28 2npt s SER 74 Ca 0.00 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.45 2npt s SER 74 Cb 0.00 0.57 0.52 0.00 0.10 0.00 0.00 66.02 67.22 2npt s SER 74 CO 0.00 -0.93 1.83 0.44 0.98 0.00 0.00 173.24 175.56 2npt h ASP 75 N 2.00 0.53 -0.80 7.02 3.32 -1.98 -0.37 116.42 126.14 2npt h ASP 75 Ca -0.32 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2npt h ASP 75 Cb 1.30 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 2npt h ASP 75 CO 0.37 0.63 0.50 -0.08 -1.72 0.00 0.00 179.24 178.94 2npt h GLU 76 N 0.53 1.07 -0.37 3.56 4.81 -2.00 0.03 114.58 122.22 2npt h GLU 76 Ca 0.11 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2npt h GLU 76 Cb 0.41 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2npt h GLU 76 CO 0.02 0.74 -0.34 0.93 -0.73 0.00 0.00 179.01 179.63 2npt h GLU 77 N 1.09 0.84 -0.43 1.92 5.08 -1.87 -2.59 114.58 118.62 2npt h GLU 77 Ca 0.29 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2npt h GLU 77 Cb -0.07 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2npt h GLU 77 CO -0.06 1.05 0.14 0.52 -1.00 0.00 0.00 179.01 179.66 2npt h MET 78 N 0.70 0.28 -0.86 2.33 2.86 -0.51 -1.02 114.93 118.71 2npt h MET 78 Ca 0.07 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2npt h MET 78 Cb 0.91 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 2npt h MET 78 CO 0.08 0.19 0.57 0.87 1.06 0.00 0.00 176.91 179.68 2npt h LYS 79 N 0.29 1.13 -0.74 1.72 1.57 -0.78 0.88 116.57 120.65 2npt h LYS 79 Ca 0.21 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2npt h LYS 79 Cb 0.22 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2npt h LYS 79 CO -0.23 0.75 0.21 0.00 -0.57 0.00 0.00 179.45 179.61 2npt h ALA 80 N 1.31 0.97 0.07 3.86 0.00 -1.16 0.09 119.26 124.39 2npt h ALA 80 Ca 0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2npt h ALA 80 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2npt h ALA 80 CO -0.07 0.67 -0.03 1.98 0.00 0.00 0.00 179.25 181.80 2npt h MET 81 N 1.10 -0.09 -0.75 0.00 1.85 -0.54 -2.50 114.93 114.01 2npt h MET 81 Ca 0.24 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.35 2npt h MET 81 Cb 0.33 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 2npt h MET 81 CO -0.00 0.08 0.49 -0.07 -0.40 0.00 0.00 176.91 177.00 2npt h LEU 82 N -0.24 0.83 -0.47 3.39 3.38 -0.67 -1.44 115.31 120.09 2npt h LEU 82 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2npt h LEU 82 Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2npt h LEU 82 CO 0.02 0.59 0.29 -1.28 0.09 0.00 0.00 178.44 178.15 2npt h SER 83 N 0.98 0.56 -0.43 -0.43 0.87 -0.92 0.56 113.55 114.74 2npt h SER 83 Ca 0.28 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2npt h SER 83 Cb -0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2npt h SER 83 CO -0.08 0.45 0.25 0.22 -0.53 0.00 0.00 176.83 177.14 2npt h TYR 84 N 0.63 0.58 -0.04 2.24 3.20 -1.24 -1.77 116.97 120.55 2npt h TYR 84 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2npt h TYR 84 Cb -0.02 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2npt h TYR 84 CO -0.03 0.43 -0.08 -0.92 -1.64 0.00 0.00 178.16 175.91 2npt h TYR 85 N 0.57 -0.21 -0.98 -3.82 3.20 -0.48 -0.93 116.97 114.32 2npt h TYR 85 Ca 0.15 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2npt h TYR 85 Cb 0.03 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 2npt h TYR 85 CO -0.03 -0.13 0.65 1.88 -1.64 0.00 0.00 178.16 178.89 2npt h TYR 86 N -0.12 1.21 -0.31 -3.82 0.05 -0.80 0.69 116.97 113.87 2npt h TYR 86 Ca 0.05 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.75 2npt h TYR 86 Cb 0.19 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2npt h TYR 86 CO -0.17 0.71 -0.27 0.77 -1.05 0.00 0.00 178.16 178.16 2npt h SER 87 N 1.26 0.64 -0.20 3.88 0.02 -0.89 -0.41 113.55 117.85 2npt h SER 87 Ca 0.38 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2npt h SER 87 Cb -0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2npt h SER 87 CO -0.11 0.89 -0.05 0.74 -1.14 0.00 0.00 176.83 177.15 2npt h THR 88 N 0.55 1.29 -0.70 -2.27 2.02 0.01 -2.62 112.91 111.17 2npt h THR 88 Ca 0.07 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.25 2npt h THR 88 Cb 0.74 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 2npt h THR 88 CO 0.06 0.31 0.44 0.58 0.37 0.00 0.00 175.52 177.28 2npt h VAL 89 N 0.11 1.10 -0.67 3.16 2.07 -0.72 -2.16 116.25 119.14 2npt h VAL 89 Ca 0.05 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2npt h VAL 89 Cb 0.50 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2npt h VAL 89 CO 0.02 0.16 0.37 -0.03 0.02 0.00 0.00 177.57 178.11 2npt h MET 90 N 0.86 0.93 -0.34 1.57 4.05 -1.06 0.30 114.93 121.25 2npt h MET 90 Ca 0.28 -0.11 0.06 0.00 -0.28 0.00 0.00 59.70 59.65 2npt h MET 90 Cb 0.02 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.59 2npt h MET 90 CO -0.11 0.70 0.03 1.49 0.23 0.00 0.00 176.91 179.25 2npt h GLU 91 N 0.92 0.13 -0.27 0.39 4.81 -1.12 -2.66 114.58 116.78 2npt h GLU 91 Ca 0.24 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2npt h GLU 91 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2npt h GLU 91 CO -0.04 0.08 -0.48 1.96 -0.73 0.00 0.00 179.01 179.80 2npt h GLN 92 N 0.13 0.73 -0.66 1.92 4.20 -1.10 -3.13 115.11 117.21 2npt h GLN 92 Ca 0.16 -0.43 0.06 0.00 0.06 0.00 0.00 58.65 58.50 2npt h GLN 92 Cb 0.21 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2npt h GLN 92 CO -0.25 1.05 0.37 1.96 -0.67 0.00 0.00 178.83 181.29 2npt h GLN 93 N 0.58 0.66 0.00 1.46 4.20 -0.36 -0.42 115.11 121.24 2npt h GLN 93 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2npt h GLN 93 Cb 1.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2npt h GLN 93 CO 0.10 0.44 0.00 0.28 -0.67 0.00 0.00 178.83 178.98 2npt n VAL 94 N -4.79 0.87 0.31 -0.54 0.31 -1.01 -2.48 118.33 111.00 2npt n VAL 94 Ca 0.08 0.35 0.04 0.00 -0.01 0.00 0.00 64.34 64.79 2npt n VAL 94 Cb 0.17 -1.30 0.03 0.00 -0.91 0.00 0.00 33.84 31.83 2npt n VAL 94 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2npt n ASN 95 N -2.26 1.67 -0.95 4.52 3.02 -0.82 -4.99 115.26 115.46 2npt n ASN 95 Ca 0.01 -1.34 -0.12 0.00 -0.03 0.00 0.00 54.58 53.10 2npt n ASN 95 Cb 0.19 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 2npt n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2npt n GLY 96 N 0.42 1.23 3.81 7.41 0.00 -0.32 -4.99 105.19 112.76 2npt n GLY 96 Ca 0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2npt n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2npt s GLN 97 N -3.12 3.30 0.20 1.61 -0.21 -0.33 -4.95 119.66 116.16 2npt s GLN 97 Ca 0.00 1.15 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 2npt s GLN 97 Cb 0.00 -2.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 2npt s GLN 97 CO 0.00 -0.82 1.41 -0.48 -2.12 0.00 0.00 175.29 173.28 2npt s LEU 98 N -4.63 4.39 -0.12 2.90 0.05 -1.26 -4.59 118.68 115.43 2npt s LEU 98 Ca 0.62 2.53 -0.20 0.00 0.05 0.00 0.00 54.13 57.13 2npt s LEU 98 Cb -0.15 -3.61 -0.04 0.00 -2.05 0.00 0.00 46.19 40.34 2npt s LEU 98 CO 0.39 -0.66 0.56 -0.63 -0.55 0.00 0.00 176.35 175.46 2npt s ILE 99 N 0.37 5.12 0.14 1.48 -1.09 -1.26 -5.00 121.20 120.95 2npt s ILE 99 Ca 0.61 1.12 0.02 0.00 -2.23 0.00 0.00 60.65 60.17 2npt s ILE 99 Cb -0.40 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2npt s ILE 99 CO 0.38 0.27 0.25 -1.61 -1.23 0.00 0.00 174.94 172.99 2npt s GLU 100 N 0.92 3.36 0.96 2.79 0.41 -1.26 -5.11 118.70 120.77 2npt s GLU 100 Ca 0.29 -0.61 -0.12 0.00 -0.41 0.00 0.00 54.97 54.13 2npt s GLU 100 Cb -0.16 -2.93 0.16 0.00 -1.78 0.00 0.00 34.13 29.42 2npt s GLU 100 CO 0.12 0.53 1.09 -1.25 -0.49 0.00 0.00 175.26 175.26 2npt s PRO 101 N -3.09 0.75 -0.44 0.39 0.04 -1.26 -4.95 135.00 126.44 2npt s PRO 101 Ca 0.34 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2npt s PRO 101 Cb -0.11 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2npt s PRO 101 CO 0.28 -2.63 1.05 -1.17 0.04 0.00 0.00 177.00 174.57 2npt s LEU 102 N -6.50 3.81 -0.17 -3.56 2.96 -0.24 -4.81 118.68 110.17 2npt s LEU 102 Ca 0.65 0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 54.89 2npt s LEU 102 Cb -0.20 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2npt s LEU 102 CO 0.59 -1.10 0.33 -1.58 -1.32 0.00 0.00 176.35 173.26 2npt s GLN 103 N 4.05 4.24 0.16 1.98 0.74 -1.26 -0.41 119.66 129.17 2npt s GLN 103 Ca 0.44 0.14 0.09 0.00 0.05 0.00 0.00 55.36 56.08 2npt s GLN 103 Cb -0.09 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2npt s GLN 103 CO 0.27 0.16 -0.19 0.96 -0.55 0.00 0.00 175.29 175.94 2npt s ILE 104 N 0.70 1.86 -0.24 -2.34 -4.36 -0.10 -4.44 121.20 112.27 2npt s ILE 104 Ca 0.18 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2npt s ILE 104 Cb -0.14 -1.84 0.06 0.00 1.25 0.00 0.00 42.46 41.80 2npt s ILE 104 CO 0.05 -0.26 -0.06 -0.36 0.24 0.00 0.00 174.94 174.55 2npt s PHE 105 N -1.90 2.49 0.52 1.37 0.40 -0.16 -0.67 117.98 120.02 2npt s PHE 105 Ca 0.15 -1.82 -0.23 0.00 -0.60 0.00 0.00 56.93 54.44 2npt s PHE 105 Cb -0.06 -1.62 -0.06 0.00 0.51 0.00 0.00 43.02 41.79 2npt s PHE 105 CO 0.07 -0.79 1.32 -2.30 0.70 0.00 0.00 175.22 174.22 2npt n PRO 106 N 4.65 1.74 -4.30 0.24 -0.02 -1.26 -0.74 135.00 135.30 2npt n PRO 106 Ca -0.12 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 2npt n PRO 106 Cb 0.44 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 2npt n PRO 106 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2npt s ARG 107 N -2.70 1.38 0.00 -0.52 3.52 0.19 -4.83 118.95 116.00 2npt s ARG 107 Ca 0.69 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2npt s ARG 107 Cb -0.44 -1.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.69 2npt s ARG 107 CO 0.52 -0.07 0.35 0.00 -0.81 0.00 0.00 175.30 175.28