#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 -0.24 0.52 -4.62 0.05 -1.26 -4.75 118.68 108.38 2osq s LEU 8 Ca 0.00 0.60 0.04 0.00 0.05 0.00 0.00 54.13 54.82 2osq s LEU 8 Cb 0.00 -2.12 0.01 0.00 -2.05 0.00 0.00 46.19 42.03 2osq s LEU 8 CO 0.00 -4.82 0.21 -0.44 -0.55 0.00 0.00 176.35 170.75 2osq s SER 9 N -3.71 4.40 -0.19 1.48 0.01 -1.25 -4.97 113.70 109.46 2osq s SER 9 Ca 0.71 -1.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.33 2osq s SER 9 Cb -0.09 0.40 -0.20 0.00 0.21 0.00 0.00 66.02 66.34 2osq s SER 9 CO 0.56 -0.95 0.30 -1.13 0.41 0.00 0.00 173.24 172.43 2osq h ASN 10 N 1.06 0.00 -3.42 2.44 -1.24 -1.97 -3.44 115.58 109.01 2osq h ASN 10 Ca -0.40 -0.58 -0.61 0.00 0.71 0.00 0.00 56.30 55.42 2osq h ASN 10 Cb 1.30 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.95 2osq h ASN 10 CO 0.66 1.38 -0.74 0.42 -1.29 0.00 0.00 177.43 177.85 2osq s THR 11 N -2.33 1.29 -0.30 -3.57 -4.23 -1.26 -4.27 115.64 100.96 2osq s THR 11 Ca -0.27 -2.32 -0.19 0.00 -1.18 0.00 0.00 61.69 57.73 2osq s THR 11 Cb 0.04 -1.91 0.20 0.00 1.34 0.00 0.00 72.50 72.17 2osq s THR 11 CO 0.60 -0.85 1.32 -0.60 -0.54 0.00 0.00 174.62 174.54 2osq s ARG 12 N 0.61 0.01 -0.13 3.99 3.52 -1.26 -4.49 118.95 121.20 2osq s ARG 12 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2osq s ARG 12 Cb -0.23 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2osq s ARG 12 CO -0.04 -0.00 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.80 2osq s LEU 13 N 1.80 1.66 -0.29 -0.88 1.43 0.12 -1.56 118.68 120.96 2osq s LEU 13 Ca -0.01 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2osq s LEU 13 Cb -0.01 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 2osq s LEU 13 CO -0.15 -0.03 0.47 0.12 0.23 0.00 0.00 176.35 177.00 2osq s PHE 14 N 1.30 3.24 0.32 0.29 5.36 0.12 -0.06 117.98 128.54 2osq s PHE 14 Ca 0.00 0.44 0.07 0.00 -0.96 0.00 0.00 56.93 56.48 2osq s PHE 14 Cb -0.14 -2.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2osq s PHE 14 CO -0.07 -0.34 0.41 0.08 -1.46 0.00 0.00 175.22 173.84 2osq s VAL 15 N 2.26 4.12 0.86 3.12 1.01 0.15 -1.42 120.40 130.51 2osq s VAL 15 Ca 0.19 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2osq s VAL 15 Cb -0.16 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 32.92 2osq s VAL 15 CO 0.10 -0.19 1.14 0.00 0.00 0.00 0.00 175.10 176.16 2osq s ARG 16 N -4.10 1.53 -0.02 2.72 1.70 -0.72 -2.17 118.95 117.89 2osq s ARG 16 Ca 0.42 0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 2osq s ARG 16 Cb -0.09 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.36 2osq s ARG 16 CO 0.30 -1.93 1.46 -1.25 -1.08 0.00 0.00 175.30 172.80 2osq s PRO 17 N -5.34 4.25 0.33 3.89 0.04 -1.26 -3.99 135.00 132.92 2osq s PRO 17 Ca 0.63 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.66 2osq s PRO 17 Cb -0.14 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2osq s PRO 17 CO 0.52 -0.66 0.56 -0.06 0.04 0.00 0.00 177.00 177.41 2osq s PHE 18 N 2.87 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 119.09 2osq s PHE 18 Ca 0.66 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2osq s PHE 18 Cb -0.32 -2.00 0.00 0.00 0.51 0.00 0.00 43.02 41.21 2osq s PHE 18 CO 0.26 0.12 0.00 -0.35 0.70 0.00 0.00 175.22 175.95 2osq n PRO 19 N -1.47 0.54 0.31 0.24 -0.04 -1.26 -4.56 135.00 128.76 2osq n PRO 19 Ca -0.03 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 34.81 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 -2.34 1.53 8.10 -2.05 0.32 115.31 120.88 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 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 2osq h LEU 20 CO 0.00 0.00 0.07 0.47 -4.11 0.00 0.00 178.44 174.87 2osq n ASP 21 N -2.78 3.19 -4.56 0.17 8.00 -1.26 -4.83 116.55 114.48 2osq n ASP 21 Ca -0.02 -2.49 -0.36 0.00 0.71 0.00 0.00 54.79 52.62 2osq n ASP 21 Cb 0.33 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2osq s VAL 22 N -1.72 3.64 0.19 2.53 0.11 0.11 -4.81 120.40 120.45 2osq s VAL 22 Ca 0.25 -0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 2osq s VAL 22 Cb 0.19 -4.52 -0.01 0.00 -1.53 0.00 0.00 36.38 30.52 2osq s VAL 22 CO 0.07 -1.44 0.30 0.00 -3.33 0.00 0.00 175.10 170.69 2osq s GLN 23 N 6.10 1.24 0.54 1.54 -2.07 -1.26 -4.91 119.66 120.84 2osq s GLN 23 Ca 0.55 -1.26 0.31 0.00 -1.82 0.00 0.00 55.36 53.14 2osq s GLN 23 Cb -0.06 0.38 1.52 0.00 -1.09 0.00 0.00 33.01 33.76 2osq s GLN 23 CO 0.03 -0.46 2.06 1.05 -1.32 0.00 0.00 175.29 176.65 2osq h GLU 24 N 2.50 0.00 -0.27 9.60 4.11 -1.95 -3.05 114.58 125.52 2osq h GLU 24 Ca -0.31 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.18 2osq h GLU 24 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2osq h GLU 24 CO 0.46 0.08 -0.16 1.03 0.07 0.00 0.00 179.01 180.50 2osq h SER 25 N 0.00 -0.53 -0.13 3.06 0.87 -1.96 0.18 113.55 115.04 2osq h SER 25 Ca -0.00 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 2osq h SER 25 Cb 0.39 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2osq h SER 25 CO 0.01 -0.20 -0.45 1.05 -0.53 0.00 0.00 176.83 176.72 2osq h GLU 26 N -0.13 0.68 -0.93 2.24 4.11 -1.85 -1.48 114.58 117.22 2osq h GLU 26 Ca 0.15 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 59.21 2osq h GLU 26 Cb 0.36 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2osq h GLU 26 CO -0.36 0.99 0.61 -0.07 0.07 0.00 0.00 179.01 180.25 2osq h LEU 27 N 0.55 1.07 -0.03 3.06 3.38 -1.33 0.25 115.31 122.27 2osq h LEU 27 Ca 0.04 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2osq h LEU 27 Cb 0.99 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.49 2osq h LEU 27 CO 0.09 0.77 -1.03 0.78 0.09 0.00 0.00 178.44 179.14 2osq h ASN 28 N 1.26 0.86 1.06 -0.43 2.35 -0.59 0.35 115.58 120.45 2osq h ASN 28 Ca 0.34 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2osq h ASN 28 Cb -0.14 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 37.96 2osq h ASN 28 CO -0.07 1.49 0.00 -0.33 -1.65 0.00 0.00 177.43 176.87 2osq h GLU 29 N 0.37 0.00 0.00 0.81 5.08 -0.94 0.40 114.58 120.30 2osq h GLU 29 Ca -0.12 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 2osq h GLU 29 Cb 1.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.90 2osq h GLU 29 CO 0.20 0.00 -1.69 -0.89 -1.00 0.00 0.00 179.01 175.63 2osq n ILE 30 N -2.86 1.51 1.88 3.13 5.41 0.86 -4.46 119.36 124.83 2osq n ILE 30 Ca 0.01 -0.10 0.15 0.00 1.00 0.00 0.00 62.75 63.82 2osq n ILE 30 Cb 0.31 -2.14 0.83 0.00 -0.71 0.00 0.00 39.64 37.93 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 -4.37 0.00 0.35 1.39 3.01 0.12 -4.14 117.46 113.84 2osq n PHE 31 Ca -0.32 -0.00 -0.19 0.00 1.01 0.00 0.00 57.45 57.95 2osq n PHE 31 Cb 0.68 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.06 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 -1.31 -5.45 1.37 0.00 -0.30 -3.20 103.07 99.18 2osq h GLY 32 Ca 0.00 0.57 -0.31 0.00 0.00 0.00 0.00 47.33 47.59 2osq h GLY 32 CO 0.00 -0.41 2.25 -1.55 0.00 0.00 0.00 176.54 176.83 2osq n PRO 33 N -5.54 1.76 0.00 4.80 -0.04 -1.26 -3.01 135.00 131.72 2osq n PRO 33 Ca -0.13 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 2osq n PRO 33 Cb 0.48 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 4.21 -0.21 0.00 0.54 3.72 -1.21 -5.08 117.46 119.43 2osq n PHE 34 Ca 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 2osq n PHE 34 Cb 0.13 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.06 -0.04 3.56 1.37 0.00 -1.16 -4.69 105.19 104.28 2osq n GLY 35 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 2.58 -0.24 1.61 0.04 -1.26 -4.85 135.00 130.88 2osq s PRO 36 Ca 0.00 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 60.77 2osq s PRO 36 Cb 0.00 -4.84 -0.05 0.00 0.04 0.00 0.00 34.50 29.66 2osq s PRO 36 CO 0.00 -3.16 2.20 -1.64 0.04 0.00 0.00 177.00 174.44 2osq s MET 37 N 7.02 3.10 0.36 4.56 -1.94 -1.26 -0.95 119.30 130.19 2osq s MET 37 Ca 0.69 1.97 0.06 0.00 -1.71 0.00 0.00 55.69 56.70 2osq s MET 37 Cb -0.09 -4.37 0.74 0.00 2.01 0.00 0.00 34.83 33.12 2osq s MET 37 CO 0.06 -2.15 1.97 0.87 -0.01 0.00 0.00 175.02 175.77 2osq h LYS 38 N 15.14 0.73 -2.25 2.03 1.79 -0.64 -3.44 116.57 129.93 2osq h LYS 38 Ca -0.40 -0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.17 2osq h LYS 38 Cb 1.24 -0.16 -0.13 0.00 -1.58 0.00 0.00 32.23 31.59 2osq h LYS 38 CO 0.97 0.48 0.51 -2.00 -1.08 0.00 0.00 179.45 178.33 2osq s GLU 39 N -5.66 0.91 -0.08 3.15 2.56 0.11 -4.96 118.70 114.72 2osq s GLU 39 Ca -0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 54.97 54.37 2osq s GLU 39 Cb 0.19 0.37 0.02 0.00 2.00 0.00 0.00 34.13 36.72 2osq s GLU 39 CO 0.77 -0.41 0.25 0.14 -0.56 0.00 0.00 175.26 175.46 2osq s VAL 40 N -3.13 0.01 -0.03 3.70 -7.23 -1.26 -0.82 120.40 111.64 2osq s VAL 40 Ca 0.08 -0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 2osq s VAL 40 Cb -0.01 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.54 2osq s VAL 40 CO -0.05 -0.06 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.03 2osq s LYS 41 N -0.15 1.16 -0.21 4.82 3.01 0.75 -5.00 119.74 124.12 2osq s LYS 41 Ca -0.03 -0.36 -0.02 0.00 -1.01 0.00 0.00 55.97 54.55 2osq s LYS 41 Cb -0.03 -1.05 0.06 0.00 -1.01 0.00 0.00 37.83 35.80 2osq s LYS 41 CO 0.01 0.12 0.02 0.96 0.51 0.00 0.00 175.35 176.98 2osq s ILE 42 N 0.22 0.70 0.08 2.17 -0.00 -1.26 -0.66 121.20 122.45 2osq s ILE 42 Ca -0.04 -0.71 0.08 0.00 -0.00 0.00 0.00 60.65 59.98 2osq s ILE 42 Cb -0.10 -1.19 -0.03 0.00 -0.00 0.00 0.00 42.46 41.14 2osq s ILE 42 CO 0.01 -0.22 -0.22 -0.76 -0.00 0.00 0.00 174.94 173.75 2osq s LEU 43 N 1.77 2.24 -0.86 0.37 1.43 -0.58 -4.96 118.68 118.10 2osq s LEU 43 Ca -0.01 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 2osq s LEU 43 Cb -0.17 -1.00 -0.11 0.00 0.03 0.00 0.00 46.19 44.93 2osq s LEU 43 CO -0.09 0.13 2.24 0.20 0.23 0.00 0.00 176.35 179.06 2osq s ASN 44 N -1.59 4.26 0.00 2.29 -0.87 -1.26 -1.34 114.94 116.43 2osq s ASN 44 Ca 0.08 -0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 2osq s ASN 44 Cb -0.10 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 2osq s ASN 44 CO 0.03 -3.58 0.00 0.61 -2.57 0.00 0.00 177.10 171.59 2osq n GLY 45 N 6.76 1.11 3.54 0.66 0.00 -1.26 -5.09 105.19 110.92 2osq n GLY 45 Ca 0.44 0.00 -0.10 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 -0.38 0.09 1.61 -0.12 -0.45 -4.07 117.98 114.67 2osq s PHE 46 Ca 0.00 0.49 0.05 0.00 -0.05 0.00 0.00 56.93 57.42 2osq s PHE 46 Cb 0.00 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 2osq s PHE 46 CO 0.00 -0.44 -0.13 0.00 -0.05 0.00 0.00 175.22 174.60 2osq s ALA 47 N -1.94 1.22 0.02 1.99 0.00 -0.92 -1.52 121.76 120.61 2osq s ALA 47 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2osq s ALA 47 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2osq s ALA 47 CO -0.02 0.09 -0.04 -0.06 0.00 0.00 0.00 175.76 175.72 2osq s PHE 48 N -1.83 0.36 -0.13 0.00 0.40 0.16 0.32 117.98 117.26 2osq s PHE 48 Ca 0.03 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2osq s PHE 48 Cb -0.07 -0.23 0.06 0.00 0.51 0.00 0.00 43.02 43.29 2osq s PHE 48 CO 0.02 -0.10 0.14 0.08 0.70 0.00 0.00 175.22 176.06 2osq s VAL 49 N -0.99 -0.21 -0.38 -0.44 1.01 0.91 -0.18 120.40 120.12 2osq s VAL 49 Ca -0.09 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2osq s VAL 49 Cb -0.07 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2osq s VAL 49 CO -0.00 -0.03 0.21 -0.70 0.00 0.00 0.00 175.10 174.58 2osq s GLU 50 N 2.24 2.84 0.32 2.72 2.12 -0.00 0.11 118.70 129.05 2osq s GLU 50 Ca 0.04 -1.07 -0.21 0.00 0.36 0.00 0.00 54.97 54.09 2osq s GLU 50 Cb -0.14 -3.75 -0.09 0.00 0.26 0.00 0.00 34.13 30.40 2osq s GLU 50 CO -0.08 -0.70 0.84 -0.06 -0.54 0.00 0.00 175.26 174.72 2osq s PHE 51 N 1.56 3.52 -1.44 5.30 0.08 -1.26 0.00 117.98 125.75 2osq s PHE 51 Ca 0.02 1.51 0.20 0.00 0.12 0.00 0.00 56.93 58.77 2osq s PHE 51 Cb -0.19 -2.73 0.99 0.00 -0.57 0.00 0.00 43.02 40.51 2osq s PHE 51 CO 0.07 0.15 1.61 -1.91 -0.10 0.00 0.00 175.22 175.04 2osq n GLU 52 N 0.13 0.28 -3.83 0.44 2.13 -0.12 -4.46 120.64 115.22 2osq n GLU 52 Ca 0.02 0.10 -0.19 0.00 0.66 0.00 0.00 57.16 57.75 2osq n GLU 52 Cb 0.52 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.56 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 -2.56 0.30 0.27 5.31 2.02 -1.26 -4.97 118.70 117.80 2osq s GLU 53 Ca 0.19 0.15 -0.00 0.00 0.02 0.00 0.00 54.97 55.32 2osq s GLU 53 Cb 0.13 -0.63 0.57 0.00 0.10 0.00 0.00 34.13 34.31 2osq s GLU 53 CO 0.30 -0.23 1.73 0.00 0.02 0.00 0.00 175.26 177.08 2osq h ALA 54 N 7.83 1.26 0.03 5.21 0.00 -1.81 -1.28 119.26 130.49 2osq h ALA 54 Ca -0.29 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2osq h ALA 54 Cb 1.13 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2osq h ALA 54 CO 0.34 -0.22 -0.12 1.49 0.00 0.00 0.00 179.25 180.74 2osq h GLU 55 N 0.48 -0.21 -0.98 0.00 4.81 -1.96 0.20 114.58 116.92 2osq h GLU 55 Ca 0.48 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.84 2osq h GLU 55 Cb 0.78 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.13 2osq h GLU 55 CO -0.44 -0.14 0.62 0.77 -0.73 0.00 0.00 179.01 179.09 2osq h SER 56 N -0.22 0.89 0.20 1.04 0.02 -1.54 -0.43 113.55 113.51 2osq h SER 56 Ca 0.04 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2osq h SER 56 Cb 0.26 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2osq h SER 56 CO -0.10 0.48 -0.10 0.00 -1.14 0.00 0.00 176.83 175.98 2osq h ALA 57 N 1.54 -0.27 -0.73 3.77 0.00 -0.73 -1.03 119.26 121.81 2osq h ALA 57 Ca 0.47 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.36 2osq h ALA 57 Cb 0.48 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2osq h ALA 57 CO -0.24 -0.40 0.51 0.00 0.00 0.00 0.00 179.25 179.12 2osq h ALA 58 N -0.17 2.44 0.03 0.00 0.00 -0.26 -0.87 119.26 120.42 2osq h ALA 58 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2osq h ALA 58 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2osq h ALA 58 CO 0.05 -0.65 -0.01 0.87 0.00 0.00 0.00 179.25 179.50 2osq h LYS 59 N 0.17 -0.04 -0.77 0.00 1.79 -1.04 -3.22 116.57 113.46 2osq h LYS 59 Ca 0.36 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 59.01 2osq h LYS 59 Cb 1.16 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 2osq h LYS 59 CO -0.06 0.66 0.53 0.00 -1.08 0.00 0.00 179.45 179.50 2osq h ALA 60 N -0.12 2.36 -0.56 3.86 0.00 -0.49 0.36 119.26 124.68 2osq h ALA 60 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2osq h ALA 60 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2osq h ALA 60 CO 0.01 -0.58 0.09 0.82 0.00 0.00 0.00 179.25 179.58 2osq h ILE 61 N 0.24 1.26 0.00 0.00 2.04 -1.25 0.35 117.51 120.14 2osq h ILE 61 Ca 0.38 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2osq h ILE 61 Cb 1.13 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2osq h ILE 61 CO -0.09 0.36 -0.42 -0.33 0.00 0.00 0.00 178.15 177.67 2osq h GLU 62 N 0.82 0.00 0.00 2.37 5.08 -1.01 -3.14 114.58 118.70 2osq h GLU 62 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2osq h GLU 62 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2osq h GLU 62 CO 0.01 0.00 -0.16 0.39 -1.00 0.00 0.00 179.01 178.26 2osq n GLU 63 N -2.27 0.14 -0.25 2.33 -0.58 0.11 -4.37 120.64 115.74 2osq n GLU 63 Ca 0.04 0.34 0.20 0.00 -0.42 0.00 0.00 57.16 57.31 2osq n GLU 63 Cb 0.45 -1.04 0.52 0.00 -0.57 0.00 0.00 31.44 30.80 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 -0.31 0.66 -2.12 2.62 2.07 -0.51 -3.41 116.25 115.25 2osq h VAL 64 Ca 0.00 -0.13 -0.58 0.00 0.82 0.00 0.00 66.70 66.81 2osq h VAL 64 Cb 0.16 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2osq h VAL 64 CO 0.00 0.07 1.25 1.57 0.02 0.00 0.00 177.57 180.48 2osq n HIS 65 N -4.51 2.32 -0.09 1.57 -0.00 -1.19 -0.86 115.22 112.46 2osq n HIS 65 Ca 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2osq n HIS 65 Cb 0.73 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 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 0.76 2.53 1.57 0.00 -1.15 -4.95 105.19 108.77 2osq n GLY 66 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.05 -1.70 -5.21 1.61 4.76 -0.04 -4.73 118.16 110.80 2osq n LYS 67 Ca 0.00 -1.31 -0.31 0.00 -2.87 0.00 0.00 58.31 53.83 2osq n LYS 67 Cb 0.00 -1.04 -0.16 0.00 -1.84 0.00 0.00 35.03 32.00 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 -3.94 3.05 -0.29 4.39 1.04 -1.26 -0.57 113.70 116.13 2osq s SER 68 Ca 0.50 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.28 2osq s SER 68 Cb -0.03 -0.33 0.16 0.00 0.10 0.00 0.00 66.02 65.93 2osq s SER 68 CO 0.37 0.30 1.06 0.12 0.98 0.00 0.00 173.24 176.07 2osq s PHE 69 N -0.65 -0.43 -1.36 5.02 2.19 -0.07 -4.83 117.98 117.85 2osq s PHE 69 Ca 0.10 0.85 -0.06 0.00 0.33 0.00 0.00 56.93 58.16 2osq s PHE 69 Cb -0.10 0.26 0.01 0.00 -1.31 0.00 0.00 43.02 41.87 2osq s PHE 69 CO -0.00 -0.21 0.79 0.00 1.83 0.00 0.00 175.22 177.63 2osq n ALA 70 N 3.55 -1.03 -2.63 11.12 0.00 -1.26 -1.76 120.51 128.51 2osq n ALA 70 Ca -0.18 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2osq n ALA 70 Cb 0.57 -4.29 0.01 0.00 0.00 0.00 0.00 19.45 15.74 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 -2.39 -5.96 -3.70 0.00 3.02 -1.26 -4.97 115.26 100.00 2osq n ASN 71 Ca -0.06 -0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 54.24 2osq n ASN 71 Cb 0.59 -4.91 -0.08 0.00 -0.61 0.00 0.00 39.78 34.77 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 -5.29 0.77 -0.06 3.52 -0.21 -0.72 -5.13 119.66 112.54 2osq s GLN 72 Ca 0.11 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 2osq s GLN 72 Cb -0.05 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.26 2osq s GLN 72 CO 0.14 -0.22 1.49 -1.25 -2.12 0.00 0.00 175.29 173.33 2osq s PRO 73 N -1.27 4.22 0.89 2.91 0.04 -1.26 -0.89 135.00 139.64 2osq s PRO 73 Ca -0.13 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 2osq s PRO 73 Cb -0.04 -3.79 0.12 0.00 0.04 0.00 0.00 34.50 30.83 2osq s PRO 73 CO 0.06 -0.73 1.09 -0.51 0.04 0.00 0.00 177.00 176.95 2osq s LEU 74 N 3.36 2.32 -0.10 -3.56 1.43 0.27 -4.93 118.68 117.48 2osq s LEU 74 Ca 0.66 1.53 -0.05 0.00 -1.03 0.00 0.00 54.13 55.25 2osq s LEU 74 Cb -0.31 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 41.99 2osq s LEU 74 CO 0.25 -2.61 0.23 -1.61 0.23 0.00 0.00 176.35 172.85 2osq s GLU 75 N -4.92 0.19 -0.02 1.70 2.02 -1.26 -2.93 118.70 113.48 2osq s GLU 75 Ca 0.63 0.52 -0.00 0.00 0.02 0.00 0.00 54.97 56.14 2osq s GLU 75 Cb -0.18 -0.13 0.02 0.00 0.10 0.00 0.00 34.13 33.94 2osq s GLU 75 CO 0.57 -0.17 0.03 0.08 0.02 0.00 0.00 175.26 175.80 2osq s VAL 76 N 1.29 -0.03 0.23 2.63 1.01 -1.26 -1.76 120.40 122.50 2osq s VAL 76 Ca -0.09 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2osq s VAL 76 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2osq s VAL 76 CO -0.08 0.05 0.15 0.68 0.00 0.00 0.00 175.10 175.89 2osq s VAL 77 N 0.60 0.07 -0.61 2.92 -7.23 -0.51 -4.68 120.40 110.97 2osq s VAL 77 Ca -0.05 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.85 2osq s VAL 77 Cb -0.07 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 2osq s VAL 77 CO -0.02 0.00 1.62 -0.31 -0.31 0.00 0.00 175.10 176.08 2osq s TYR 78 N -4.00 1.96 -0.25 2.82 2.02 -1.26 0.13 117.35 118.77 2osq s TYR 78 Ca 0.39 0.51 -0.36 0.00 -0.37 0.00 0.00 57.07 57.24 2osq s TYR 78 Cb 0.06 -4.29 -0.12 0.00 -0.40 0.00 0.00 41.96 37.21 2osq s TYR 78 CO 0.14 -2.22 1.99 0.43 -1.57 0.00 0.00 175.55 174.32 2osq n SER 79 N 11.07 2.64 0.00 2.29 7.64 -0.60 -4.62 113.62 132.04 2osq n SER 79 Ca 0.15 0.74 0.06 0.00 1.01 0.00 0.00 58.87 60.83 2osq n SER 79 Cb 0.50 -1.27 0.37 0.00 -1.01 0.00 0.00 64.21 62.80 2osq n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32