#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osq n LEU 8 N 0.00 -1.88 -4.89 -4.62 -0.00 -1.26 -4.79 117.00 99.56 2osq n LEU 8 Ca 0.00 -0.26 -0.23 0.00 -0.00 0.00 0.00 56.01 55.52 2osq n LEU 8 Cb 0.00 -1.21 -0.02 0.00 -0.00 0.00 0.00 43.42 42.19 2osq n LEU 8 CO 0.00 -3.47 0.03 -0.44 -0.00 0.00 0.00 177.39 173.51 2osq s SER 9 N -2.40 4.86 -0.16 1.45 0.01 -1.25 -5.00 113.70 111.22 2osq s SER 9 Ca 0.68 -0.95 -0.22 0.00 1.31 0.00 0.00 55.95 56.77 2osq s SER 9 Cb -0.25 -0.15 -0.24 0.00 0.21 0.00 0.00 66.02 65.59 2osq s SER 9 CO 0.65 -0.86 0.48 -1.13 0.41 0.00 0.00 173.24 172.80 2osq h ASN 10 N 0.89 0.13 -3.16 2.44 -1.24 -1.95 -3.44 115.58 109.25 2osq h ASN 10 Ca -0.39 -0.76 -0.59 0.00 0.71 0.00 0.00 56.30 55.27 2osq h ASN 10 Cb 1.28 -0.04 -0.40 0.00 0.73 0.00 0.00 38.32 39.89 2osq h ASN 10 CO 0.57 1.40 -0.77 0.42 -1.29 0.00 0.00 177.43 177.76 2osq s THR 11 N -2.36 0.90 -0.30 -3.57 -4.23 -1.26 -4.14 115.64 100.67 2osq s THR 11 Ca -0.23 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.08 2osq s THR 11 Cb 0.03 -1.65 0.21 0.00 1.34 0.00 0.00 72.50 72.43 2osq s THR 11 CO 0.68 -0.87 1.32 -0.60 -0.54 0.00 0.00 174.62 174.61 2osq s ARG 12 N 0.88 0.00 -0.14 3.99 3.52 -1.26 -4.46 118.95 121.49 2osq s ARG 12 Ca 0.16 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2osq s ARG 12 Cb -0.22 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2osq s ARG 12 CO -0.06 -0.00 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.76 2osq s LEU 13 N 1.70 1.76 -0.30 -0.88 1.43 0.12 -1.61 118.68 120.90 2osq s LEU 13 Ca -0.02 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 2osq s LEU 13 Cb -0.01 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2osq s LEU 13 CO -0.14 -0.03 0.46 0.12 0.23 0.00 0.00 176.35 176.99 2osq s PHE 14 N 1.31 3.23 0.32 0.29 5.36 0.12 -0.42 117.98 128.18 2osq s PHE 14 Ca 0.01 0.37 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 2osq s PHE 14 Cb -0.13 -2.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 2osq s PHE 14 CO -0.08 -0.36 0.42 0.08 -1.46 0.00 0.00 175.22 173.82 2osq s VAL 15 N 2.24 4.09 0.88 3.12 1.01 0.11 -1.40 120.40 130.44 2osq s VAL 15 Ca 0.18 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2osq s VAL 15 Cb -0.16 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 32.94 2osq s VAL 15 CO 0.11 -0.18 1.14 0.00 0.00 0.00 0.00 175.10 176.17 2osq s ARG 16 N -4.11 1.40 -0.03 2.72 1.70 -0.82 -2.15 118.95 117.66 2osq s ARG 16 Ca 0.43 0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 2osq s ARG 16 Cb -0.09 -1.87 -0.05 0.00 -0.57 0.00 0.00 34.95 32.37 2osq s ARG 16 CO 0.30 -2.02 1.47 -1.25 -1.08 0.00 0.00 175.30 172.72 2osq s PRO 17 N -5.32 4.24 0.36 3.89 0.04 -1.25 -4.02 135.00 132.93 2osq s PRO 17 Ca 0.63 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2osq s PRO 17 Cb -0.14 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2osq s PRO 17 CO 0.53 -0.68 0.58 -0.06 0.04 0.00 0.00 177.00 177.41 2osq s PHE 18 N 3.03 3.51 0.00 0.56 0.40 -1.26 -4.96 117.98 119.26 2osq s PHE 18 Ca 0.66 0.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 2osq s PHE 18 Cb -0.31 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.23 2osq s PHE 18 CO 0.26 0.07 0.00 -0.35 0.70 0.00 0.00 175.22 175.90 2osq n PRO 19 N -1.70 0.76 0.26 0.24 -0.04 -1.26 -4.52 135.00 128.74 2osq n PRO 19 Ca -0.03 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.58 2osq n PRO 19 Cb 0.56 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.75 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 -2.45 1.53 8.10 -2.04 0.44 115.31 120.89 2osq h LEU 20 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.89 2osq h LEU 20 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.16 2osq h LEU 20 CO 0.00 0.00 0.13 0.47 -4.11 0.00 0.00 178.44 174.93 2osq n ASP 21 N -3.08 3.18 -4.56 0.17 8.00 -1.26 -4.81 116.55 114.18 2osq n ASP 21 Ca 0.01 -2.53 -0.38 0.00 0.71 0.00 0.00 54.79 52.60 2osq n ASP 21 Cb 0.52 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.60 3.83 0.10 2.53 0.11 0.16 -4.74 120.40 120.78 2osq s VAL 22 Ca 0.24 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.44 2osq s VAL 22 Cb 0.19 -4.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.20 2osq s VAL 22 CO 0.06 -1.73 0.22 0.00 -3.33 0.00 0.00 175.10 170.32 2osq s GLN 23 N 5.37 0.89 0.64 1.54 -2.07 -1.26 -4.89 119.66 119.88 2osq s GLN 23 Ca 0.52 -0.93 0.37 0.00 -1.82 0.00 0.00 55.36 53.49 2osq s GLN 23 Cb -0.01 0.36 2.04 0.00 -1.09 0.00 0.00 33.01 34.31 2osq s GLN 23 CO -0.07 -0.29 2.21 1.05 -1.32 0.00 0.00 175.29 176.87 2osq h GLU 24 N 2.69 0.00 0.02 9.60 4.11 -1.94 -2.52 114.58 126.53 2osq h GLU 24 Ca -0.34 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.12 2osq h GLU 24 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2osq h GLU 24 CO 0.55 0.00 -0.27 1.03 0.07 0.00 0.00 179.01 180.39 2osq h SER 25 N 0.00 -0.80 -0.40 3.06 0.87 -1.95 0.41 113.55 114.75 2osq h SER 25 Ca 0.02 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 2osq h SER 25 Cb 0.25 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2osq h SER 25 CO -0.00 -0.34 -0.32 1.05 -0.53 0.00 0.00 176.83 176.69 2osq h GLU 26 N -0.42 0.92 -0.03 2.24 4.11 -1.75 -1.76 114.58 117.89 2osq h GLU 26 Ca 0.06 -0.45 -0.02 0.00 0.07 0.00 0.00 59.36 59.02 2osq h GLU 26 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2osq h GLU 26 CO -0.22 1.11 -0.06 -0.07 0.07 0.00 0.00 179.01 179.83 2osq h LEU 27 N 0.74 0.04 0.18 3.06 3.38 -1.36 0.11 115.31 121.46 2osq h LEU 27 Ca 0.07 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 2osq h LEU 27 Cb 0.90 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.67 2osq h LEU 27 CO 0.08 0.11 -1.04 0.78 0.09 0.00 0.00 178.44 178.47 2osq h ASN 28 N 0.04 0.60 1.10 -0.43 -0.26 0.00 -0.65 115.58 115.99 2osq h ASN 28 Ca 0.01 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.81 2osq h ASN 28 Cb 0.15 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2osq h ASN 28 CO 0.01 1.50 0.00 -0.33 -1.06 0.00 0.00 177.43 177.55 2osq h GLU 29 N -0.20 0.00 0.00 0.81 5.08 -0.97 0.50 114.58 119.80 2osq h GLU 29 Ca -0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 2osq h GLU 29 Cb 1.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 2osq h GLU 29 CO 0.20 0.00 -1.18 -0.89 -1.00 0.00 0.00 179.01 176.13 2osq n ILE 30 N -3.04 1.49 1.71 3.13 5.41 0.35 -4.30 119.36 124.11 2osq n ILE 30 Ca 0.01 0.02 0.15 0.00 1.00 0.00 0.00 62.75 63.93 2osq n ILE 30 Cb 0.32 -2.17 0.78 0.00 -0.71 0.00 0.00 39.64 37.86 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 -4.47 0.00 0.27 1.39 3.01 -0.25 -4.15 117.46 113.26 2osq n PHE 31 Ca -0.25 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.03 2osq n PHE 31 Cb 0.56 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.85 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 4.97 -1.26 -5.47 1.37 0.00 -0.14 -3.16 103.07 99.38 2osq h GLY 32 Ca 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 47.33 47.61 2osq h GLY 32 CO 0.00 -0.36 2.30 -1.55 0.00 0.00 0.00 176.54 176.93 2osq n PRO 33 N -5.50 1.77 0.00 4.80 -0.04 -1.26 -2.99 135.00 131.79 2osq n PRO 33 Ca -0.11 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 2osq n PRO 33 Cb 0.45 -2.36 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 4.24 -0.14 0.00 0.54 3.72 -1.19 -5.09 117.46 119.54 2osq n PHE 34 Ca 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 2osq n PHE 34 Cb 0.13 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.04 0.75 3.56 1.37 0.00 -1.16 -4.77 105.19 104.91 2osq n GLY 35 Ca 0.00 -1.09 -0.39 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 2.70 -0.02 1.61 0.04 -1.26 -4.84 135.00 131.23 2osq s PRO 36 Ca 0.00 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 2osq s PRO 36 Cb 0.00 -4.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.11 2osq s PRO 36 CO 0.00 -2.64 1.66 -1.64 0.04 0.00 0.00 177.00 174.42 2osq s MET 37 N 6.89 4.19 0.22 4.56 -1.94 -1.26 -0.82 119.30 131.14 2osq s MET 37 Ca 0.68 2.23 0.11 0.00 -1.71 0.00 0.00 55.69 57.01 2osq s MET 37 Cb -0.13 -3.89 0.06 0.00 2.01 0.00 0.00 34.83 32.88 2osq s MET 37 CO 0.22 -0.81 1.43 -0.22 -0.01 0.00 0.00 175.02 175.63 2osq h LYS 38 N 9.24 0.00 -2.91 2.03 1.63 -0.62 -3.44 116.57 122.50 2osq h LYS 38 Ca -0.41 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.40 2osq h LYS 38 Cb 1.19 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.70 2osq h LYS 38 CO 0.94 0.73 0.25 -2.00 -3.45 0.00 0.00 179.45 175.92 2osq s GLU 39 N -3.03 1.28 -0.21 1.90 2.56 -0.09 -4.98 118.70 116.13 2osq s GLU 39 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 54.97 54.39 2osq s GLU 39 Cb 0.10 0.57 0.09 0.00 2.00 0.00 0.00 34.13 36.88 2osq s GLU 39 CO 0.77 -0.56 0.47 0.14 -0.56 0.00 0.00 175.26 175.52 2osq s VAL 40 N -3.69 -0.46 -0.12 3.70 -7.23 -1.26 -0.87 120.40 110.47 2osq s VAL 40 Ca 0.03 0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2osq s VAL 40 Cb -0.02 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 2osq s VAL 40 CO -0.10 0.05 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.03 2osq s LYS 41 N 2.22 3.28 -0.24 4.82 -0.14 0.92 -5.00 119.74 125.61 2osq s LYS 41 Ca -0.05 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2osq s LYS 41 Cb -0.10 -2.53 0.06 0.00 -1.68 0.00 0.00 37.83 33.58 2osq s LYS 41 CO -0.14 0.20 -0.03 0.42 -0.76 0.00 0.00 175.35 175.04 2osq s ILE 42 N 0.35 1.42 0.07 2.17 -1.09 -1.26 -0.18 121.20 122.67 2osq s ILE 42 Ca -0.13 -1.19 0.08 0.00 -2.23 0.00 0.00 60.65 57.17 2osq s ILE 42 Cb -0.17 -1.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2osq s ILE 42 CO 0.07 -0.15 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.65 2osq s LEU 43 N 1.44 2.21 -0.78 2.97 1.43 -0.68 -4.99 118.68 120.28 2osq s LEU 43 Ca -0.04 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2osq s LEU 43 Cb -0.19 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 2osq s LEU 43 CO -0.07 0.15 2.19 0.21 0.23 0.00 0.00 176.35 179.05 2osq s ASN 44 N -1.44 4.54 0.00 2.29 3.84 -1.26 -1.40 114.94 121.51 2osq s ASN 44 Ca 0.08 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.08 2osq s ASN 44 Cb -0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 2osq s ASN 44 CO 0.03 -3.22 0.00 0.61 -2.79 0.00 0.00 177.10 171.73 2osq n GLY 45 N 6.63 1.21 3.58 1.21 0.00 -1.26 -5.09 105.19 111.47 2osq n GLY 45 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.53 -0.44 0.15 1.61 -0.12 -0.49 -3.94 117.98 114.22 2osq s PHE 46 Ca 0.00 0.83 0.09 0.00 -0.05 0.00 0.00 56.93 57.80 2osq s PHE 46 Cb 0.00 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2osq s PHE 46 CO 0.00 -0.36 -0.20 0.00 -0.05 0.00 0.00 175.22 174.61 2osq s ALA 47 N -0.83 2.05 -0.01 1.99 0.00 -0.91 -1.69 121.76 122.35 2osq s ALA 47 Ca -0.02 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 2osq s ALA 47 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2osq s ALA 47 CO 0.01 0.31 0.05 -0.06 0.00 0.00 0.00 175.76 176.08 2osq s PHE 48 N -1.72 -0.01 -0.08 0.00 0.08 0.75 0.08 117.98 117.09 2osq s PHE 48 Ca 0.14 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 2osq s PHE 48 Cb -0.07 -0.02 0.04 0.00 -0.57 0.00 0.00 43.02 42.40 2osq s PHE 48 CO 0.06 -0.08 0.09 0.08 -0.10 0.00 0.00 175.22 175.27 2osq s VAL 49 N -0.32 -0.14 -0.38 -0.44 1.01 0.44 -0.05 120.40 120.51 2osq s VAL 49 Ca -0.04 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 2osq s VAL 49 Cb -0.03 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.11 2osq s VAL 49 CO 0.00 0.07 0.21 -0.70 0.00 0.00 0.00 175.10 174.68 2osq s GLU 50 N 2.19 2.84 0.31 2.72 2.12 -0.05 0.10 118.70 128.93 2osq s GLU 50 Ca 0.04 -1.07 -0.24 0.00 0.36 0.00 0.00 54.97 54.06 2osq s GLU 50 Cb -0.13 -3.75 -0.10 0.00 0.26 0.00 0.00 34.13 30.41 2osq s GLU 50 CO -0.05 -0.70 0.89 -0.06 -0.54 0.00 0.00 175.26 174.80 2osq s PHE 51 N 1.56 3.63 -0.88 5.30 0.08 -1.26 0.04 117.98 126.45 2osq s PHE 51 Ca 0.02 1.67 0.12 0.00 0.12 0.00 0.00 56.93 58.86 2osq s PHE 51 Cb -0.19 -2.84 0.54 0.00 -0.57 0.00 0.00 43.02 39.96 2osq s PHE 51 CO 0.07 0.20 1.39 -1.91 -0.10 0.00 0.00 175.22 174.87 2osq n GLU 52 N 0.44 0.03 -4.04 0.44 2.13 0.00 -4.52 120.64 115.13 2osq n GLU 52 Ca 0.02 0.36 -0.20 0.00 0.66 0.00 0.00 57.16 58.00 2osq n GLU 52 Cb 0.51 -1.58 -0.17 0.00 0.27 0.00 0.00 31.44 30.48 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 -3.07 0.69 0.24 5.31 2.02 -1.26 -4.98 118.70 117.63 2osq s GLU 53 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.95 2osq s GLU 53 Cb 0.07 -0.80 0.41 0.00 0.10 0.00 0.00 34.13 33.91 2osq s GLU 53 CO 0.21 -0.13 1.75 0.00 0.02 0.00 0.00 175.26 177.10 2osq h ALA 54 N 7.41 1.02 -0.11 5.21 0.00 -1.80 -1.82 119.26 129.18 2osq h ALA 54 Ca -0.35 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2osq h ALA 54 Cb 1.14 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2osq h ALA 54 CO 0.43 -0.15 -0.15 1.49 0.00 0.00 0.00 179.25 180.87 2osq h GLU 55 N 0.50 -0.19 -0.87 0.00 4.81 -1.96 0.23 114.58 117.09 2osq h GLU 55 Ca 0.39 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.72 2osq h GLU 55 Cb 0.53 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2osq h GLU 55 CO -0.35 -0.13 0.56 0.77 -0.73 0.00 0.00 179.01 179.14 2osq h SER 56 N -0.20 0.80 0.16 1.04 0.02 -1.66 -1.15 113.55 112.56 2osq h SER 56 Ca 0.09 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2osq h SER 56 Cb 0.32 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2osq h SER 56 CO -0.22 0.48 -0.08 0.00 -1.14 0.00 0.00 176.83 175.87 2osq h ALA 57 N 1.55 -0.22 -0.84 3.77 0.00 -0.57 -1.43 119.26 121.52 2osq h ALA 57 Ca 0.39 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.26 2osq h ALA 57 Cb 0.35 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2osq h ALA 57 CO -0.16 -0.38 0.56 0.00 0.00 0.00 0.00 179.25 179.27 2osq h ALA 58 N -0.03 2.15 0.14 0.00 0.00 -0.24 -0.67 119.26 120.61 2osq h ALA 58 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2osq h ALA 58 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2osq h ALA 58 CO 0.04 -0.39 -0.07 0.87 0.00 0.00 0.00 179.25 179.69 2osq h LYS 59 N 0.43 -0.19 -0.85 0.00 1.79 -1.19 -3.20 116.57 113.36 2osq h LYS 59 Ca 0.43 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 59.12 2osq h LYS 59 Cb 1.01 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 2osq h LYS 59 CO -0.15 0.25 0.58 0.00 -1.08 0.00 0.00 179.45 179.05 2osq h ALA 60 N -0.34 2.44 -0.81 3.86 0.00 -0.70 0.28 119.26 124.01 2osq h ALA 60 Ca -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2osq h ALA 60 Cb 0.52 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2osq h ALA 60 CO 0.03 -0.70 0.33 0.82 0.00 0.00 0.00 179.25 179.73 2osq h ILE 61 N 0.23 1.26 0.00 0.00 2.04 -1.17 0.27 117.51 120.14 2osq h ILE 61 Ca 0.43 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2osq h ILE 61 Cb 1.32 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2osq h ILE 61 CO -0.10 0.34 -0.83 -0.08 0.00 0.00 0.00 178.15 177.47 2osq h GLU 62 N 1.17 0.00 0.00 2.37 4.81 -0.83 -3.11 114.58 118.99 2osq h GLU 62 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2osq h GLU 62 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2osq h GLU 62 CO -0.02 0.21 -0.02 0.93 -0.73 0.00 0.00 179.01 179.38 2osq h GLU 63 N 0.00 0.00 -0.80 1.92 4.39 -0.25 -3.36 114.58 116.48 2osq h GLU 63 Ca -0.05 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.80 2osq h GLU 63 Cb 1.27 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 2osq h GLU 63 CO 0.03 0.00 0.53 0.28 -1.16 0.00 0.00 179.01 178.69 2osq h VAL 64 N -0.47 0.79 -2.48 3.13 2.07 -0.67 -3.41 116.25 115.21 2osq h VAL 64 Ca 0.00 -0.16 -0.53 0.00 0.82 0.00 0.00 66.70 66.83 2osq h VAL 64 Cb 0.02 0.27 0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2osq h VAL 64 CO 0.00 0.09 1.13 1.57 0.02 0.00 0.00 177.57 180.38 2osq n HIS 65 N -4.50 2.62 -0.47 1.57 -0.00 -1.18 -1.24 115.22 112.03 2osq n HIS 65 Ca 0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2osq n HIS 65 Cb 0.54 -2.74 0.00 0.00 -0.00 0.00 0.00 29.99 27.78 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 4.28 0.75 2.43 1.57 0.00 -1.07 -4.93 105.19 108.23 2osq n GLY 66 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.29 -1.09 -4.59 1.61 4.76 -0.37 -4.76 118.16 111.44 2osq n LYS 67 Ca 0.00 -1.28 -0.24 0.00 -2.87 0.00 0.00 58.31 53.91 2osq n LYS 67 Cb 0.00 -0.90 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 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 -4.00 2.30 -0.29 4.39 1.04 -1.26 -0.31 113.70 115.57 2osq s SER 68 Ca 0.48 -0.50 -0.20 0.00 0.48 0.00 0.00 55.95 56.21 2osq s SER 68 Cb -0.02 -0.19 0.16 0.00 0.10 0.00 0.00 66.02 66.07 2osq s SER 68 CO 0.34 0.14 1.11 0.12 0.98 0.00 0.00 173.24 175.92 2osq s PHE 69 N -0.79 -0.39 -1.47 5.02 2.19 -0.10 -4.85 117.98 117.58 2osq s PHE 69 Ca 0.06 0.83 -0.07 0.00 0.33 0.00 0.00 56.93 58.08 2osq s PHE 69 Cb -0.09 0.32 0.01 0.00 -1.31 0.00 0.00 43.02 41.95 2osq s PHE 69 CO 0.02 -0.19 0.88 0.00 1.83 0.00 0.00 175.22 177.75 2osq n ALA 70 N 2.92 -1.13 -2.52 11.12 0.00 -1.26 -1.44 120.51 128.19 2osq n ALA 70 Ca -0.16 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 2osq n ALA 70 Cb 0.57 -4.65 -0.00 0.00 0.00 0.00 0.00 19.45 15.37 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 -2.75 -5.82 -3.78 0.00 3.02 -1.26 -4.97 115.26 99.70 2osq n ASN 71 Ca -0.06 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.31 2osq n ASN 71 Cb 0.59 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.85 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 -5.18 0.57 0.07 3.52 -0.21 -0.52 -5.14 119.66 112.77 2osq s GLN 72 Ca 0.06 -0.12 -0.31 0.00 0.02 0.00 0.00 55.36 55.01 2osq s GLN 72 Cb -0.03 0.25 -0.07 0.00 1.00 0.00 0.00 33.01 34.17 2osq s GLN 72 CO 0.07 -0.14 1.40 -1.25 -2.12 0.00 0.00 175.29 173.25 2osq s PRO 73 N -1.06 4.31 0.60 2.91 0.04 -1.26 -0.92 135.00 139.61 2osq s PRO 73 Ca -0.11 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 2osq s PRO 73 Cb -0.05 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2osq s PRO 73 CO 0.03 -0.49 0.96 -0.51 0.04 0.00 0.00 177.00 177.03 2osq s LEU 74 N 1.65 3.25 -0.17 -3.56 1.43 0.58 -4.92 118.68 116.94 2osq s LEU 74 Ca 0.64 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.72 2osq s LEU 74 Cb -0.35 -3.98 0.06 0.00 0.03 0.00 0.00 46.19 41.95 2osq s LEU 74 CO 0.29 -0.96 0.41 -0.70 0.23 0.00 0.00 176.35 175.62 2osq s GLU 75 N -5.07 0.39 -0.00 1.70 2.12 -1.26 -2.61 118.70 113.96 2osq s GLU 75 Ca 0.54 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.68 2osq s GLU 75 Cb -0.11 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 2osq s GLU 75 CO 0.49 -0.16 -0.03 0.08 -0.54 0.00 0.00 175.26 175.10 2osq s VAL 76 N 1.46 0.26 0.23 3.70 1.01 -1.26 -1.94 120.40 123.86 2osq s VAL 76 Ca -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2osq s VAL 76 Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2osq s VAL 76 CO -0.13 0.08 0.19 0.68 0.00 0.00 0.00 175.10 175.92 2osq s VAL 77 N -0.04 0.00 -0.65 2.92 -7.23 -0.49 -4.65 120.40 110.27 2osq s VAL 77 Ca 0.01 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 57.97 2osq s VAL 77 Cb -0.02 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2osq s VAL 77 CO -0.00 0.00 1.69 -0.31 -0.31 0.00 0.00 175.10 176.17 2osq s TYR 78 N -4.01 1.85 -0.10 2.82 2.02 -1.26 0.12 117.35 118.77 2osq s TYR 78 Ca 0.38 0.54 -0.37 0.00 -0.37 0.00 0.00 57.07 57.24 2osq s TYR 78 Cb 0.05 -4.25 -0.15 0.00 -0.40 0.00 0.00 41.96 37.22 2osq s TYR 78 CO 0.14 -2.24 1.66 0.43 -1.57 0.00 0.00 175.55 173.97 2osq n SER 79 N 11.72 2.52 0.00 2.29 7.64 -0.63 -4.58 113.62 132.58 2osq n SER 79 Ca 0.15 1.06 0.01 0.00 1.01 0.00 0.00 58.87 61.11 2osq n SER 79 Cb 0.51 -1.23 0.07 0.00 -1.01 0.00 0.00 64.21 62.54 2osq n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32