#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osq s LEU 8 N 0.00 2.51 0.48 -1.84 0.05 -1.26 -4.61 118.68 114.01 2osq s LEU 8 Ca 0.00 0.83 0.06 0.00 0.05 0.00 0.00 54.13 55.07 2osq s LEU 8 Cb 0.00 -3.34 -0.00 0.00 -2.05 0.00 0.00 46.19 40.79 2osq s LEU 8 CO 0.00 -1.90 0.28 -0.44 -0.55 0.00 0.00 176.35 173.74 2osq s SER 9 N -4.51 4.55 -0.16 1.48 0.01 -1.26 -4.98 113.70 108.83 2osq s SER 9 Ca 0.62 -1.19 -0.24 0.00 1.31 0.00 0.00 55.95 56.45 2osq s SER 9 Cb -0.11 0.03 -0.21 0.00 0.21 0.00 0.00 66.02 65.94 2osq s SER 9 CO 0.50 -0.84 0.49 -1.13 0.41 0.00 0.00 173.24 172.66 2osq h ASN 10 N 1.07 0.00 -3.24 2.44 -1.24 -1.97 -3.44 115.58 109.19 2osq h ASN 10 Ca -0.40 -0.72 -0.60 0.00 0.71 0.00 0.00 56.30 55.29 2osq h ASN 10 Cb 1.28 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.94 2osq h ASN 10 CO 0.63 1.13 -0.76 0.42 -1.29 0.00 0.00 177.43 177.56 2osq s THR 11 N -2.23 1.02 0.00 -3.57 -4.23 -1.26 -4.33 115.64 101.04 2osq s THR 11 Ca -0.21 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 2osq s THR 11 Cb 0.01 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2osq s THR 11 CO 0.59 -0.87 0.00 -1.14 -0.54 0.00 0.00 174.62 172.66 2osq n ARG 12 N 3.93 0.00 -4.50 3.99 0.63 -1.26 -4.45 116.66 115.01 2osq n ARG 12 Ca 0.07 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.68 2osq n ARG 12 Cb 0.37 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.11 2osq n ARG 12 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2osq s LEU 13 N 0.00 2.06 -0.23 6.15 1.43 0.30 -0.31 118.68 128.09 2osq s LEU 13 Ca 0.00 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 2osq s LEU 13 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2osq s LEU 13 CO 0.00 0.05 0.42 0.12 0.23 0.00 0.00 176.35 177.17 2osq s PHE 14 N 0.97 3.33 0.33 0.29 5.36 0.14 -0.89 117.98 127.51 2osq s PHE 14 Ca -0.04 0.59 0.07 0.00 -0.96 0.00 0.00 56.93 56.60 2osq s PHE 14 Cb -0.15 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 2osq s PHE 14 CO -0.05 -0.11 0.30 0.08 -1.46 0.00 0.00 175.22 173.98 2osq s VAL 15 N 1.66 3.64 0.89 3.12 1.01 0.12 -1.33 120.40 129.52 2osq s VAL 15 Ca 0.19 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 2osq s VAL 15 Cb -0.15 -3.22 0.13 0.00 0.00 0.00 0.00 36.38 33.14 2osq s VAL 15 CO 0.09 -0.19 1.14 -0.13 0.00 0.00 0.00 175.10 176.01 2osq s ARG 16 N -4.00 1.28 -0.01 2.72 3.00 -0.96 -2.17 118.95 118.82 2osq s ARG 16 Ca 0.41 0.31 -0.30 0.00 0.00 0.00 0.00 55.73 56.14 2osq s ARG 16 Cb -0.06 -1.85 -0.06 0.00 0.00 0.00 0.00 34.95 32.98 2osq s ARG 16 CO 0.27 -2.10 1.45 -1.25 0.00 0.00 0.00 175.30 173.67 2osq s PRO 17 N -5.29 4.25 0.32 3.54 0.04 -1.26 -4.00 135.00 132.61 2osq s PRO 17 Ca 0.63 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2osq s PRO 17 Cb -0.14 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2osq s PRO 17 CO 0.53 -0.64 0.54 -0.06 0.04 0.00 0.00 177.00 177.41 2osq s PHE 18 N 2.72 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 118.94 2osq s PHE 18 Ca 0.66 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.43 2osq s PHE 18 Cb -0.32 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.25 2osq s PHE 18 CO 0.27 0.14 0.00 -0.35 0.70 0.00 0.00 175.22 175.98 2osq n PRO 19 N -1.47 0.67 0.33 0.24 -0.04 -1.26 -4.54 135.00 128.93 2osq n PRO 19 Ca -0.04 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2osq n PRO 19 Cb 0.55 0.00 0.80 0.00 -0.04 0.00 0.00 33.50 34.82 2osq n PRO 19 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2osq h LEU 20 N 0.00 0.00 -2.26 1.53 8.10 -2.03 0.37 115.31 121.02 2osq h LEU 20 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2osq h LEU 20 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 2osq h LEU 20 CO 0.00 0.00 0.08 -0.67 -4.11 0.00 0.00 178.44 173.74 2osq n ASP 21 N -2.91 3.04 -4.56 0.17 2.03 -1.26 -4.81 116.55 108.24 2osq n ASP 21 Ca -0.02 -2.46 -0.38 0.00 0.52 0.00 0.00 54.79 52.46 2osq n ASP 21 Cb 0.40 -0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2osq s VAL 22 N -1.60 3.76 0.24 5.18 0.11 0.13 -4.77 120.40 123.45 2osq s VAL 22 Ca 0.22 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 2osq s VAL 22 Cb 0.18 -4.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.26 2osq s VAL 22 CO 0.06 -1.65 0.35 0.00 -3.33 0.00 0.00 175.10 170.53 2osq s GLN 23 N 5.63 1.46 0.53 1.54 -2.07 -1.26 -4.88 119.66 120.61 2osq s GLN 23 Ca 0.51 -1.45 0.31 0.00 -1.82 0.00 0.00 55.36 52.92 2osq s GLN 23 Cb -0.03 0.39 1.39 0.00 -1.09 0.00 0.00 33.01 33.68 2osq s GLN 23 CO -0.04 -0.57 2.01 1.05 -1.32 0.00 0.00 175.29 176.42 2osq h GLU 24 N 2.37 0.00 -0.16 9.60 4.11 -1.95 -3.10 114.58 125.45 2osq h GLU 24 Ca -0.30 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.17 2osq h GLU 24 Cb 1.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2osq h GLU 24 CO 0.42 0.08 -0.11 1.03 0.07 0.00 0.00 179.01 180.50 2osq h SER 25 N 0.00 -0.35 -0.25 3.06 0.87 -1.96 0.17 113.55 115.09 2osq h SER 25 Ca -0.00 0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2osq h SER 25 Cb 0.48 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2osq h SER 25 CO 0.01 -0.14 -0.37 1.05 -0.53 0.00 0.00 176.83 176.85 2osq h GLU 26 N -0.11 0.78 -0.89 2.24 4.11 -1.84 -1.39 114.58 117.49 2osq h GLU 26 Ca 0.10 -0.39 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 2osq h GLU 26 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2osq h GLU 26 CO -0.23 1.02 0.51 -0.07 0.07 0.00 0.00 179.01 180.32 2osq h LEU 27 N 0.65 1.09 -0.05 3.06 3.38 -1.40 0.17 115.31 122.21 2osq h LEU 27 Ca 0.06 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 2osq h LEU 27 Cb 0.92 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.41 2osq h LEU 27 CO 0.08 0.86 -0.98 0.78 0.09 0.00 0.00 178.44 179.27 2osq h ASN 28 N 1.24 0.90 1.12 -0.43 2.35 -0.59 0.39 115.58 120.57 2osq h ASN 28 Ca 0.32 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2osq h ASN 28 Cb -0.01 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.08 2osq h ASN 28 CO -0.06 1.49 0.00 -0.33 -1.65 0.00 0.00 177.43 176.89 2osq h GLU 29 N 0.42 0.00 0.00 0.81 4.39 -0.96 0.40 114.58 119.65 2osq h GLU 29 Ca -0.11 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.39 2osq h GLU 29 Cb 1.62 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.24 2osq h GLU 29 CO 0.19 0.00 -1.62 -0.89 -1.16 0.00 0.00 179.01 175.53 2osq n ILE 30 N -2.98 1.51 1.88 3.13 5.41 0.57 -4.44 119.36 124.44 2osq n ILE 30 Ca 0.01 -0.08 0.15 0.00 1.00 0.00 0.00 62.75 63.83 2osq n ILE 30 Cb 0.33 -2.14 0.82 0.00 -0.71 0.00 0.00 39.64 37.94 2osq n ILE 30 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2osq n PHE 31 N -4.38 0.00 0.36 1.39 3.01 0.14 -4.14 117.46 113.85 2osq n PHE 31 Ca -0.31 -0.00 -0.19 0.00 1.01 0.00 0.00 57.45 57.96 2osq n PHE 31 Cb 0.66 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.04 2osq n PHE 31 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2osq h GLY 32 N 4.99 -1.30 -5.51 1.37 0.00 -0.28 -3.21 103.07 99.13 2osq h GLY 32 Ca 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 47.33 47.57 2osq h GLY 32 CO 0.00 -0.42 2.39 -1.55 0.00 0.00 0.00 176.54 176.97 2osq n PRO 33 N -5.51 1.81 0.00 4.80 -0.04 -1.26 -3.00 135.00 131.80 2osq n PRO 33 Ca -0.13 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2osq n PRO 33 Cb 0.48 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2osq n PRO 33 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2osq n PHE 34 N 4.30 -0.21 0.00 0.54 3.72 -1.21 -5.08 117.46 119.52 2osq n PHE 34 Ca 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 2osq n PHE 34 Cb 0.11 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2osq n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2osq n GLY 35 N -0.10 0.35 3.55 1.37 0.00 -1.16 -4.68 105.19 104.53 2osq n GLY 35 Ca 0.00 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2osq n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2osq s PRO 36 N -2.00 2.60 -0.25 1.61 0.04 -1.26 -4.85 135.00 130.90 2osq s PRO 36 Ca 0.00 0.41 -0.28 0.00 0.04 0.00 0.00 61.00 61.17 2osq s PRO 36 Cb 0.00 -4.54 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2osq s PRO 36 CO 0.00 -2.89 2.11 -1.64 0.04 0.00 0.00 177.00 174.62 2osq s MET 37 N 7.05 3.17 0.33 4.56 -1.94 -1.26 -0.85 119.30 130.36 2osq s MET 37 Ca 0.68 1.86 0.01 0.00 -1.71 0.00 0.00 55.69 56.53 2osq s MET 37 Cb -0.11 -4.33 0.56 0.00 2.01 0.00 0.00 34.83 32.96 2osq s MET 37 CO 0.16 -2.05 1.96 -0.22 -0.01 0.00 0.00 175.02 174.86 2osq h LYS 38 N 14.51 0.84 -3.06 2.03 1.63 -0.74 -3.44 116.57 128.34 2osq h LYS 38 Ca -0.39 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.34 2osq h LYS 38 Cb 1.22 -0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.59 2osq h LYS 38 CO 0.98 0.61 0.19 -1.21 -3.45 0.00 0.00 179.45 176.57 2osq s GLU 39 N -5.58 1.50 -0.03 1.90 2.02 0.61 -4.96 118.70 114.16 2osq s GLU 39 Ca -0.10 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 2osq s GLU 39 Cb 0.17 0.59 0.03 0.00 0.10 0.00 0.00 34.13 35.01 2osq s GLU 39 CO 0.77 -0.67 0.34 0.14 0.02 0.00 0.00 175.26 175.87 2osq s VAL 40 N -3.84 0.05 -0.05 2.63 -7.23 -1.26 -0.89 120.40 109.81 2osq s VAL 40 Ca 0.06 -0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.81 2osq s VAL 40 Cb -0.03 -0.63 0.03 0.00 0.56 0.00 0.00 36.38 36.30 2osq s VAL 40 CO -0.03 -0.22 0.11 -0.54 -0.31 0.00 0.00 175.10 174.11 2osq s LYS 41 N -1.18 0.08 -0.20 4.82 3.01 0.12 -4.98 119.74 121.40 2osq s LYS 41 Ca -0.12 0.26 -0.03 0.00 -1.01 0.00 0.00 55.97 55.08 2osq s LYS 41 Cb -0.05 -0.11 0.06 0.00 -1.01 0.00 0.00 37.83 36.72 2osq s LYS 41 CO 0.04 -0.12 0.03 0.96 0.51 0.00 0.00 175.35 176.78 2osq s ILE 42 N 0.78 0.59 0.08 2.17 -0.00 -1.26 -0.73 121.20 122.83 2osq s ILE 42 Ca -0.06 -0.64 0.08 0.00 -0.00 0.00 0.00 60.65 60.03 2osq s ILE 42 Cb -0.08 -1.11 -0.03 0.00 -0.00 0.00 0.00 42.46 41.24 2osq s ILE 42 CO -0.03 -0.23 -0.22 -0.76 -0.00 0.00 0.00 174.94 173.69 2osq s LEU 43 N 1.82 2.25 -0.86 0.37 1.43 -0.65 -4.95 118.68 118.09 2osq s LEU 43 Ca -0.01 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 2osq s LEU 43 Cb -0.17 -0.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.97 2osq s LEU 43 CO -0.09 0.12 2.21 0.20 0.23 0.00 0.00 176.35 179.02 2osq s ASN 44 N -1.63 4.34 0.00 2.29 0.02 -1.26 -1.41 114.94 117.29 2osq s ASN 44 Ca 0.08 -0.32 0.00 0.00 -1.02 0.00 0.00 52.86 51.60 2osq s ASN 44 Cb -0.10 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.62 2osq s ASN 44 CO 0.03 -3.51 0.00 0.61 0.02 0.00 0.00 177.10 174.26 2osq n GLY 45 N 6.77 1.06 3.54 0.66 0.00 -1.26 -5.09 105.19 110.88 2osq n GLY 45 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 2osq n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2osq s PHE 46 N 0.00 -0.39 0.09 1.61 -0.12 -0.50 -4.02 117.98 114.65 2osq s PHE 46 Ca 0.00 0.53 0.06 0.00 -0.05 0.00 0.00 56.93 57.47 2osq s PHE 46 Cb 0.00 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 2osq s PHE 46 CO 0.00 -0.44 -0.15 0.00 -0.05 0.00 0.00 175.22 174.58 2osq s ALA 47 N -1.84 1.35 -0.01 1.99 0.00 -0.92 -1.64 121.76 120.69 2osq s ALA 47 Ca -0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 2osq s ALA 47 Cb -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2osq s ALA 47 CO -0.01 0.16 0.04 -0.06 0.00 0.00 0.00 175.76 175.88 2osq s PHE 48 N -1.60 0.04 -0.08 0.00 0.40 0.09 0.13 117.98 116.96 2osq s PHE 48 Ca 0.03 -0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2osq s PHE 48 Cb -0.08 -0.04 0.04 0.00 0.51 0.00 0.00 43.02 43.45 2osq s PHE 48 CO 0.03 -0.10 0.12 0.54 0.70 0.00 0.00 175.22 176.50 2osq s VAL 49 N -0.54 -0.19 -0.37 -0.44 0.11 -0.07 0.12 120.40 119.03 2osq s VAL 49 Ca -0.06 0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 59.22 2osq s VAL 49 Cb -0.04 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2osq s VAL 49 CO -0.00 0.12 0.19 -0.70 -3.33 0.00 0.00 175.10 171.38 2osq s GLU 50 N 2.23 2.79 0.44 1.54 2.12 -0.07 -0.54 118.70 127.21 2osq s GLU 50 Ca 0.04 -1.10 -0.20 0.00 0.36 0.00 0.00 54.97 54.07 2osq s GLU 50 Cb -0.12 -3.68 -0.10 0.00 0.26 0.00 0.00 34.13 30.49 2osq s GLU 50 CO -0.05 -0.69 0.94 -0.06 -0.54 0.00 0.00 175.26 174.86 2osq s PHE 51 N 1.52 3.34 -1.87 5.30 0.08 -1.26 -0.14 117.98 124.96 2osq s PHE 51 Ca 0.01 1.55 0.28 0.00 0.12 0.00 0.00 56.93 58.89 2osq s PHE 51 Cb -0.19 -2.81 1.61 0.00 -0.57 0.00 0.00 43.02 41.06 2osq s PHE 51 CO 0.06 -0.15 2.00 -1.91 -0.10 0.00 0.00 175.22 175.12 2osq n GLU 52 N -0.82 0.77 -3.71 0.44 2.13 -0.03 -4.39 120.64 115.02 2osq n GLU 52 Ca 0.07 0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 2osq n GLU 52 Cb 0.54 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.59 2osq n GLU 52 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2osq s GLU 53 N -2.13 -0.00 0.32 5.31 0.41 -1.26 -4.97 118.70 116.37 2osq s GLU 53 Ca 0.39 0.37 0.07 0.00 -0.41 0.00 0.00 54.97 55.39 2osq s GLU 53 Cb 0.19 -0.31 0.79 0.00 -1.78 0.00 0.00 34.13 33.02 2osq s GLU 53 CO 0.35 -0.24 1.78 0.00 -0.49 0.00 0.00 175.26 176.65 2osq h ALA 54 N 7.84 1.74 0.27 5.21 0.00 -1.83 -1.31 119.26 131.19 2osq h ALA 54 Ca -0.28 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2osq h ALA 54 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2osq h ALA 54 CO 0.30 -0.12 -0.14 1.49 0.00 0.00 0.00 179.25 180.78 2osq h GLU 55 N 0.71 -0.37 -0.94 0.00 4.81 -1.96 0.19 114.58 117.02 2osq h GLU 55 Ca 0.58 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.94 2osq h GLU 55 Cb 0.97 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 2osq h GLU 55 CO -0.37 -0.24 0.60 0.77 -0.73 0.00 0.00 179.01 179.04 2osq h SER 56 N -0.38 0.86 0.16 1.04 0.02 -1.54 -0.55 113.55 113.16 2osq h SER 56 Ca -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2osq h SER 56 Cb 0.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2osq h SER 56 CO 0.05 0.49 -0.08 0.00 -1.14 0.00 0.00 176.83 176.15 2osq h ALA 57 N 1.54 -0.22 -0.73 3.77 0.00 -0.97 -0.85 119.26 121.81 2osq h ALA 57 Ca 0.45 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2osq h ALA 57 Cb 0.44 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2osq h ALA 57 CO -0.21 -0.37 0.49 0.00 0.00 0.00 0.00 179.25 179.16 2osq h ALA 58 N -0.05 2.28 0.08 0.00 0.00 -0.26 -0.98 119.26 120.32 2osq h ALA 58 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2osq h ALA 58 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2osq h ALA 58 CO 0.04 -0.48 -0.04 0.87 0.00 0.00 0.00 179.25 179.64 2osq h LYS 59 N 0.28 -0.10 -0.99 0.00 1.79 -1.07 -3.22 116.57 113.26 2osq h LYS 59 Ca 0.36 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 59.08 2osq h LYS 59 Cb 0.99 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.58 2osq h LYS 59 CO -0.09 0.39 0.65 0.00 -1.08 0.00 0.00 179.45 179.32 2osq h ALA 60 N -0.40 2.28 -0.58 3.86 0.00 -0.67 0.45 119.26 124.20 2osq h ALA 60 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2osq h ALA 60 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2osq h ALA 60 CO 0.02 -0.62 0.13 0.82 0.00 0.00 0.00 179.25 179.60 2osq h ILE 61 N 0.38 1.24 0.00 0.00 2.04 -1.27 0.32 117.51 120.22 2osq h ILE 61 Ca 0.54 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2osq h ILE 61 Cb 1.40 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2osq h ILE 61 CO -0.22 0.32 -0.58 -0.62 0.00 0.00 0.00 178.15 177.05 2osq n GLU 62 N -4.26 0.06 -0.02 2.37 -0.58 0.84 -3.48 120.64 115.56 2osq n GLU 62 Ca 0.04 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.77 2osq n GLU 62 Cb 0.24 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 2osq n GLU 62 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2osq n GLU 63 N -1.61 0.13 -0.30 3.49 -0.58 0.12 -4.54 120.64 117.35 2osq n GLU 63 Ca 0.05 0.19 0.08 0.00 -0.42 0.00 0.00 57.16 57.06 2osq n GLU 63 Cb 0.36 -0.88 0.24 0.00 -0.57 0.00 0.00 31.44 30.59 2osq n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2osq h VAL 64 N -0.27 0.72 -2.08 2.62 2.07 -0.59 -3.41 116.25 115.30 2osq h VAL 64 Ca 0.00 -0.22 -0.58 0.00 0.82 0.00 0.00 66.70 66.72 2osq h VAL 64 Cb 0.20 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2osq h VAL 64 CO 0.00 0.12 1.24 1.57 0.02 0.00 0.00 177.57 180.51 2osq n HIS 65 N -4.86 2.30 0.00 1.57 -0.00 -1.23 -1.03 115.22 111.97 2osq n HIS 65 Ca 0.18 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2osq n HIS 65 Cb 0.46 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.73 2osq n HIS 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2osq n GLY 66 N 4.82 0.87 2.03 1.57 0.00 -0.37 -4.91 105.19 109.21 2osq n GLY 66 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2osq n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2osq n LYS 67 N -1.95 -0.08 -4.65 1.61 4.76 -0.20 -4.81 118.16 112.85 2osq n LYS 67 Ca 0.00 -1.31 -0.28 0.00 -2.87 0.00 0.00 58.31 53.85 2osq n LYS 67 Cb 0.00 -0.47 -0.14 0.00 -1.84 0.00 0.00 35.03 32.58 2osq n LYS 67 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2osq s SER 68 N -3.27 3.02 -0.29 4.39 1.04 -1.26 -0.13 113.70 117.20 2osq s SER 68 Ca 0.36 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 2osq s SER 68 Cb -0.02 -0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.03 2osq s SER 68 CO 0.25 0.20 1.07 0.12 0.98 0.00 0.00 173.24 175.85 2osq s PHE 69 N -0.91 -0.42 -1.43 5.02 2.19 0.27 -4.84 117.98 117.86 2osq s PHE 69 Ca 0.11 0.86 -0.08 0.00 0.33 0.00 0.00 56.93 58.15 2osq s PHE 69 Cb -0.10 0.28 0.02 0.00 -1.31 0.00 0.00 43.02 41.91 2osq s PHE 69 CO 0.03 -0.21 1.02 0.00 1.83 0.00 0.00 175.22 177.89 2osq n ALA 70 N 3.36 -1.22 -2.77 11.12 0.00 -1.26 -1.51 120.51 128.24 2osq n ALA 70 Ca -0.17 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 2osq n ALA 70 Cb 0.57 -5.01 0.02 0.00 0.00 0.00 0.00 19.45 15.03 2osq n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2osq n ASN 71 N -2.87 -5.96 -3.71 0.00 3.02 -1.26 -4.97 115.26 99.51 2osq n ASN 71 Ca -0.02 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.22 2osq n ASN 71 Cb 0.57 -4.88 -0.08 0.00 -0.61 0.00 0.00 39.78 34.78 2osq n ASN 71 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2osq s GLN 72 N -5.44 0.72 0.13 3.52 -0.21 -0.57 -5.14 119.66 112.68 2osq s GLN 72 Ca 0.18 0.01 -0.31 0.00 0.02 0.00 0.00 55.36 55.26 2osq s GLN 72 Cb -0.08 0.33 -0.08 0.00 1.00 0.00 0.00 33.01 34.18 2osq s GLN 72 CO 0.22 -0.19 1.34 -1.25 -2.12 0.00 0.00 175.29 173.29 2osq s PRO 73 N -1.08 4.35 0.28 2.91 0.04 -1.26 -0.57 135.00 139.68 2osq s PRO 73 Ca -0.11 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 2osq s PRO 73 Cb -0.04 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2osq s PRO 73 CO 0.05 -0.36 0.63 -0.51 0.04 0.00 0.00 177.00 176.85 2osq s LEU 74 N 0.73 4.09 -0.05 -3.56 1.43 0.82 -4.90 118.68 117.24 2osq s LEU 74 Ca 0.62 1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2osq s LEU 74 Cb -0.36 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.07 2osq s LEU 74 CO 0.33 -0.16 0.10 -1.61 0.23 0.00 0.00 176.35 175.23 2osq s GLU 75 N -3.04 0.01 -0.03 1.70 0.41 -1.26 -1.24 118.70 115.26 2osq s GLU 75 Ca 0.50 0.34 0.01 0.00 -0.41 0.00 0.00 54.97 55.41 2osq s GLU 75 Cb -0.11 -0.26 0.01 0.00 -1.78 0.00 0.00 34.13 31.99 2osq s GLU 75 CO 0.22 -0.21 -0.05 0.08 -0.49 0.00 0.00 175.26 174.80 2osq s VAL 76 N 1.44 0.54 0.28 2.63 1.01 -1.26 -2.27 120.40 122.78 2osq s VAL 76 Ca -0.05 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2osq s VAL 76 Cb -0.12 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 2osq s VAL 76 CO -0.04 0.20 0.12 0.68 0.00 0.00 0.00 175.10 176.05 2osq s VAL 77 N 0.52 0.52 -0.61 2.92 -7.23 -0.44 -4.58 120.40 111.50 2osq s VAL 77 Ca -0.07 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.83 2osq s VAL 77 Cb -0.10 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2osq s VAL 77 CO 0.00 0.00 1.77 -0.31 -0.31 0.00 0.00 175.10 176.25 2osq s TYR 78 N -3.66 1.77 0.08 2.82 2.02 -1.26 0.24 117.35 119.36 2osq s TYR 78 Ca 0.36 0.66 -0.31 0.00 -0.37 0.00 0.00 57.07 57.42 2osq s TYR 78 Cb 0.07 -4.17 -0.09 0.00 -0.40 0.00 0.00 41.96 37.36 2osq s TYR 78 CO 0.15 -2.29 1.83 0.45 -1.57 0.00 0.00 175.55 174.12 2osq s SER 79 N 7.31 6.47 0.00 2.29 0.15 0.58 -4.61 113.70 125.89 2osq s SER 79 Ca 0.63 2.67 0.01 0.00 0.70 0.00 0.00 55.95 59.96 2osq s SER 79 Cb -0.12 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 2osq s SER 79 CO 0.21 -1.00 0.56 2.29 1.20 0.00 0.00 173.24 176.50