#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 0.03 0.51 -4.62 0.05 -1.26 -4.80 118.68 108.58 2osq s LEU 8 Ca 0.00 0.67 0.05 0.00 0.05 0.00 0.00 54.13 54.90 2osq s LEU 8 Cb 0.00 -2.27 0.01 0.00 -2.05 0.00 0.00 46.19 41.87 2osq s LEU 8 CO 0.00 -4.61 0.25 -0.44 -0.55 0.00 0.00 176.35 171.00 2osq s SER 9 N -3.67 4.47 -0.18 1.48 0.01 -1.25 -5.00 113.70 109.55 2osq s SER 9 Ca 0.70 -1.31 -0.23 0.00 1.31 0.00 0.00 55.95 56.43 2osq s SER 9 Cb -0.10 0.24 -0.21 0.00 0.21 0.00 0.00 66.02 66.16 2osq s SER 9 CO 0.57 -0.91 0.37 -1.13 0.41 0.00 0.00 173.24 172.54 2osq h ASN 10 N 1.05 0.00 -3.39 2.44 -1.24 -1.97 -3.44 115.58 109.02 2osq h ASN 10 Ca -0.40 -0.64 -0.60 0.00 0.71 0.00 0.00 56.30 55.37 2osq h ASN 10 Cb 1.29 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.95 2osq h ASN 10 CO 0.64 1.30 -0.75 0.42 -1.29 0.00 0.00 177.43 177.76 2osq s THR 11 N -2.30 1.24 -0.30 -3.57 -4.23 -1.26 -4.28 115.64 100.94 2osq s THR 11 Ca -0.25 -2.28 -0.19 0.00 -1.18 0.00 0.00 61.69 57.79 2osq s THR 11 Cb 0.03 -1.89 0.20 0.00 1.34 0.00 0.00 72.50 72.18 2osq s THR 11 CO 0.60 -0.85 1.31 -0.60 -0.54 0.00 0.00 174.62 174.54 2osq s ARG 12 N 0.65 0.01 -0.13 3.99 3.52 -1.26 -4.49 118.95 121.24 2osq s ARG 12 Ca 0.16 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 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 0.00 175.30 173.79 2osq s LEU 13 N 1.87 1.67 -0.24 -0.88 1.43 0.12 -1.53 118.68 121.12 2osq s LEU 13 Ca -0.00 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2osq s LEU 13 Cb -0.00 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 2osq s LEU 13 CO -0.15 -0.03 0.44 0.12 0.23 0.00 0.00 176.35 176.96 2osq s PHE 14 N 1.33 3.30 0.35 0.29 5.36 0.12 -0.05 117.98 128.68 2osq s PHE 14 Ca 0.01 0.58 0.07 0.00 -0.96 0.00 0.00 56.93 56.63 2osq s PHE 14 Cb -0.13 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2osq s PHE 14 CO -0.08 -0.17 0.35 0.08 -1.46 0.00 0.00 175.22 173.94 2osq s VAL 15 N 1.89 3.54 0.82 3.12 1.01 0.10 -1.36 120.40 129.52 2osq s VAL 15 Ca 0.19 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 2osq s VAL 15 Cb -0.15 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.10 2osq s VAL 15 CO 0.09 -0.15 1.11 -0.13 0.00 0.00 0.00 175.10 176.02 2osq s ARG 16 N -4.06 1.86 -0.03 2.72 1.81 -0.84 -2.20 118.95 118.21 2osq s ARG 16 Ca 0.43 0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 54.67 2osq s ARG 16 Cb -0.06 -1.90 -0.05 0.00 -0.45 0.00 0.00 34.95 32.48 2osq s ARG 16 CO 0.28 -1.75 1.47 -1.25 -0.68 0.00 0.00 175.30 173.37 2osq s PRO 17 N -5.20 4.24 0.33 3.54 0.04 -1.26 -4.03 135.00 132.66 2osq s PRO 17 Ca 0.61 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.66 2osq s PRO 17 Cb -0.14 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2osq s PRO 17 CO 0.54 -0.68 0.56 -0.06 0.04 0.00 0.00 177.00 177.40 2osq s PHE 18 N 2.97 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 119.19 2osq s PHE 18 Ca 0.66 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 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 -1.44 0.66 0.33 0.24 -0.04 -1.26 -4.55 135.00 128.93 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 0.81 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 -2.31 1.53 8.10 -2.04 0.36 115.31 120.95 2osq h LEU 20 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 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 0.09 0.47 -4.11 0.00 0.00 178.44 174.89 2osq n ASP 21 N -2.91 3.08 -4.56 0.17 8.00 -1.26 -4.82 116.55 114.25 2osq n ASP 21 Ca -0.02 -2.48 -0.38 0.00 0.71 0.00 0.00 54.79 52.63 2osq n ASP 21 Cb 0.40 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.61 3.70 0.12 2.53 0.11 0.13 -4.82 120.40 120.56 2osq s VAL 22 Ca 0.23 -0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2osq s VAL 22 Cb 0.18 -4.67 -0.00 0.00 -1.53 0.00 0.00 36.38 30.36 2osq s VAL 22 CO 0.06 -1.59 0.24 0.00 -3.33 0.00 0.00 175.10 170.47 2osq s GLN 23 N 5.85 0.96 0.64 1.54 -2.07 -1.26 -4.92 119.66 120.40 2osq s GLN 23 Ca 0.50 -1.01 0.42 0.00 -1.82 0.00 0.00 55.36 53.45 2osq s GLN 23 Cb -0.05 0.36 2.22 0.00 -1.09 0.00 0.00 33.01 34.45 2osq s GLN 23 CO 0.03 -0.33 2.30 1.05 -1.32 0.00 0.00 175.29 177.02 2osq h GLU 24 N 2.65 0.00 -0.20 9.60 4.11 -1.94 -2.82 114.58 125.97 2osq h GLU 24 Ca -0.33 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.15 2osq h GLU 24 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2osq h GLU 24 CO 0.53 0.00 -0.18 1.03 0.07 0.00 0.00 179.01 180.46 2osq h SER 25 N 0.00 -0.58 -0.27 3.06 0.87 -1.95 0.34 113.55 115.01 2osq h SER 25 Ca -0.00 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 2osq h SER 25 Cb 0.09 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2osq h SER 25 CO 0.00 -0.23 -0.36 1.05 -0.53 0.00 0.00 176.83 176.76 2osq h GLU 26 N -0.20 0.81 -0.60 2.24 4.11 -1.82 -1.68 114.58 117.45 2osq h GLU 26 Ca 0.12 -0.40 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 2osq h GLU 26 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2osq h GLU 26 CO -0.32 1.04 0.28 -0.07 0.07 0.00 0.00 179.01 180.01 2osq h LEU 27 N 0.67 0.76 -0.02 3.06 3.38 -1.38 0.26 115.31 122.04 2osq h LEU 27 Ca 0.06 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2osq h LEU 27 Cb 0.92 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.49 2osq h LEU 27 CO 0.08 0.65 -0.75 0.78 0.09 0.00 0.00 178.44 179.30 2osq h ASN 28 N 0.85 0.69 1.16 -0.43 2.35 -0.22 0.27 115.58 120.25 2osq h ASN 28 Ca 0.21 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2osq h ASN 28 Cb 0.09 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2osq h ASN 28 CO -0.03 1.33 0.00 -0.33 -1.65 0.00 0.00 177.43 176.75 2osq h GLU 29 N 0.12 0.00 0.00 0.81 5.08 -1.05 0.39 114.58 119.93 2osq h GLU 29 Ca -0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2osq h GLU 29 Cb 1.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2osq h GLU 29 CO 0.15 0.00 -1.16 -0.89 -1.00 0.00 0.00 179.01 176.11 2osq n ILE 30 N -2.93 1.48 1.87 3.13 5.41 0.89 -4.39 119.36 124.83 2osq n ILE 30 Ca 0.02 0.05 0.15 0.00 1.00 0.00 0.00 62.75 63.97 2osq n ILE 30 Cb 0.34 -2.24 0.82 0.00 -0.71 0.00 0.00 39.64 37.85 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 0.41 1.39 3.01 0.94 -4.13 117.46 114.62 2osq n PHE 31 Ca -0.22 -0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.05 2osq n PHE 31 Cb 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.90 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 -1.34 -5.49 1.37 0.00 -0.30 -3.22 103.07 99.06 2osq h GLY 32 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 47.33 47.57 2osq h GLY 32 CO 0.00 -0.44 2.37 -1.55 0.00 0.00 0.00 176.54 176.91 2osq n PRO 33 N -5.62 1.80 0.00 4.80 -0.04 -1.26 -3.03 135.00 131.65 2osq n PRO 33 Ca -0.14 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2osq n PRO 33 Cb 0.50 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 4.28 -0.28 0.00 0.54 3.72 -1.22 -5.09 117.46 119.40 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 0.12 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.02 -0.80 3.56 1.37 0.00 -1.17 -4.75 105.19 103.41 2osq n GLY 35 Ca 0.00 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.34 1.61 0.04 -1.26 -4.85 135.00 130.90 2osq s PRO 36 Ca 0.00 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 2osq s PRO 36 Cb 0.00 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 2osq s PRO 36 CO 0.00 -2.64 1.69 -1.64 0.04 0.00 0.00 177.00 174.45 2osq s MET 37 N 6.89 3.44 0.46 4.56 -1.94 -1.26 0.02 119.30 131.47 2osq s MET 37 Ca 0.68 1.34 0.12 0.00 -1.71 0.00 0.00 55.69 56.11 2osq s MET 37 Cb -0.13 -4.14 1.06 0.00 2.01 0.00 0.00 34.83 33.62 2osq s MET 37 CO 0.22 -1.73 2.09 0.87 -0.01 0.00 0.00 175.02 176.47 2osq h LYS 38 N 12.12 0.25 -1.70 2.03 1.79 -0.55 -3.44 116.57 127.07 2osq h LYS 38 Ca -0.32 -0.02 0.23 0.00 -2.18 0.00 0.00 60.65 58.36 2osq h LYS 38 Cb 1.15 -0.06 -0.16 0.00 -1.58 0.00 0.00 32.23 31.59 2osq h LYS 38 CO 1.04 0.18 0.72 -1.21 -1.08 0.00 0.00 179.45 179.11 2osq s GLU 39 N -5.23 0.49 -0.13 3.15 2.02 0.08 -4.97 118.70 114.12 2osq s GLU 39 Ca -0.06 -0.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.65 2osq s GLU 39 Cb 0.17 0.21 0.05 0.00 0.10 0.00 0.00 34.13 34.66 2osq s GLU 39 CO 0.70 -0.22 0.30 0.14 0.02 0.00 0.00 175.26 176.20 2osq s VAL 40 N -2.63 -0.08 -0.08 2.63 -7.23 -1.26 -0.46 120.40 111.29 2osq s VAL 40 Ca 0.10 0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 2osq s VAL 40 Cb 0.00 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.47 2osq s VAL 40 CO -0.05 0.06 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.09 2osq s LYS 41 N 1.43 2.81 -0.20 4.82 -0.14 0.37 -5.00 119.74 123.83 2osq s LYS 41 Ca -0.08 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 53.76 2osq s LYS 41 Cb -0.10 -2.41 0.06 0.00 -1.68 0.00 0.00 37.83 33.70 2osq s LYS 41 CO -0.10 0.42 0.03 0.96 -0.76 0.00 0.00 175.35 175.90 2osq s ILE 42 N -0.22 0.64 0.08 2.17 -0.00 -1.26 -0.10 121.20 122.51 2osq s ILE 42 Ca 0.00 -0.66 0.08 0.00 -0.00 0.00 0.00 60.65 60.08 2osq s ILE 42 Cb -0.13 -1.13 -0.03 0.00 -0.00 0.00 0.00 42.46 41.16 2osq s ILE 42 CO 0.03 -0.21 -0.22 -0.76 -0.00 0.00 0.00 174.94 173.78 2osq s LEU 43 N 1.80 2.25 -0.82 0.37 1.43 -0.62 -4.97 118.68 118.12 2osq s LEU 43 Ca -0.01 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 2osq s LEU 43 Cb -0.17 -0.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 2osq s LEU 43 CO -0.08 0.11 2.26 0.20 0.23 0.00 0.00 176.35 179.07 2osq s ASN 44 N -1.65 4.29 0.00 2.29 -0.87 -1.26 -1.33 114.94 116.41 2osq s ASN 44 Ca 0.08 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.19 2osq s ASN 44 Cb -0.10 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 2osq s ASN 44 CO 0.03 -3.52 0.00 0.61 -2.57 0.00 0.00 177.10 171.66 2osq n GLY 45 N 6.82 1.06 3.55 0.66 0.00 -1.26 -5.09 105.19 110.93 2osq n GLY 45 Ca 0.45 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 -0.04 -0.38 0.11 1.61 -0.12 -0.44 -4.15 117.98 114.58 2osq s PHE 46 Ca 0.00 0.53 0.07 0.00 -0.05 0.00 0.00 56.93 57.48 2osq s PHE 46 Cb 0.00 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2osq s PHE 46 CO 0.00 -0.42 -0.17 0.00 -0.05 0.00 0.00 175.22 174.58 2osq s ALA 47 N -1.77 1.62 0.02 1.99 0.00 -0.93 -1.59 121.76 121.11 2osq s ALA 47 Ca -0.00 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2osq s ALA 47 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2osq s ALA 47 CO -0.01 0.22 -0.05 -0.06 0.00 0.00 0.00 175.76 175.86 2osq s PHE 48 N -1.65 0.41 -0.16 0.00 0.08 0.86 0.02 117.98 117.54 2osq s PHE 48 Ca 0.07 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 2osq s PHE 48 Cb -0.08 -0.26 0.07 0.00 -0.57 0.00 0.00 43.02 42.18 2osq s PHE 48 CO 0.04 -0.11 0.19 0.08 -0.10 0.00 0.00 175.22 175.32 2osq s VAL 49 N -1.14 -0.28 -0.38 -0.44 1.01 0.93 -0.48 120.40 119.63 2osq s VAL 49 Ca -0.10 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2osq s VAL 49 Cb -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2osq s VAL 49 CO -0.00 -0.09 0.23 -0.70 0.00 0.00 0.00 175.10 174.53 2osq s GLU 50 N 2.30 2.87 0.29 2.72 2.12 0.40 0.12 118.70 129.51 2osq s GLU 50 Ca 0.05 -1.06 -0.19 0.00 0.36 0.00 0.00 54.97 54.13 2osq s GLU 50 Cb -0.14 -3.78 -0.09 0.00 0.26 0.00 0.00 34.13 30.38 2osq s GLU 50 CO -0.10 -0.70 0.79 -0.06 -0.54 0.00 0.00 175.26 174.65 2osq s PHE 51 N 1.58 3.53 -1.54 5.30 0.08 -1.26 0.11 117.98 125.79 2osq s PHE 51 Ca 0.03 1.42 0.20 0.00 0.12 0.00 0.00 56.93 58.70 2osq s PHE 51 Cb -0.19 -2.67 1.06 0.00 -0.57 0.00 0.00 43.02 40.65 2osq s PHE 51 CO 0.07 0.19 1.63 -1.91 -0.10 0.00 0.00 175.22 175.11 2osq n GLU 52 N 0.21 0.36 -3.78 0.44 2.13 0.10 -4.46 120.64 115.64 2osq n GLU 52 Ca 0.01 0.08 -0.19 0.00 0.66 0.00 0.00 57.16 57.72 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 -2.46 0.16 0.25 5.31 0.41 -1.26 -4.97 118.70 116.14 2osq s GLU 53 Ca 0.21 0.21 -0.03 0.00 -0.41 0.00 0.00 54.97 54.95 2osq s GLU 53 Cb 0.14 -0.54 0.49 0.00 -1.78 0.00 0.00 34.13 32.43 2osq s GLU 53 CO 0.29 -0.24 1.72 0.00 -0.49 0.00 0.00 175.26 176.54 2osq h ALA 54 N 7.87 1.08 -0.02 5.21 0.00 -1.81 -1.41 119.26 130.18 2osq h ALA 54 Ca -0.28 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2osq h ALA 54 Cb 1.12 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2osq h ALA 54 CO 0.32 -0.25 -0.16 1.49 0.00 0.00 0.00 179.25 180.65 2osq h GLU 55 N 0.40 -0.24 -1.01 0.00 4.81 -1.96 0.20 114.58 116.78 2osq h GLU 55 Ca 0.43 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.79 2osq h GLU 55 Cb 0.69 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 2osq h GLU 55 CO -0.44 -0.16 0.64 1.03 -0.73 0.00 0.00 179.01 179.34 2osq h SER 56 N -0.25 0.95 0.19 1.04 0.87 -1.58 -0.47 113.55 114.30 2osq h SER 56 Ca 0.06 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2osq h SER 56 Cb 0.33 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2osq h SER 56 CO -0.17 0.52 -0.09 0.00 -0.53 0.00 0.00 176.83 176.56 2osq h ALA 57 N 1.53 -0.26 -0.65 6.23 0.00 -0.62 -0.73 119.26 124.75 2osq h ALA 57 Ca 0.49 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.36 2osq h ALA 57 Cb 0.44 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2osq h ALA 57 CO -0.25 -0.43 0.45 0.00 0.00 0.00 0.00 179.25 179.02 2osq h ALA 58 N -0.03 2.38 0.05 0.00 0.00 -0.24 -0.88 119.26 120.54 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 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2osq h ALA 58 CO 0.04 -0.56 -0.02 0.87 0.00 0.00 0.00 179.25 179.58 2osq h LYS 59 N 0.17 -0.07 -0.81 0.00 1.79 -1.01 -3.25 116.57 113.40 2osq h LYS 59 Ca 0.32 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.99 2osq h LYS 59 Cb 1.01 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 2osq h LYS 59 CO -0.05 0.51 0.55 0.00 -1.08 0.00 0.00 179.45 179.39 2osq h ALA 60 N -0.28 2.40 -0.73 3.86 0.00 -0.59 0.36 119.26 124.29 2osq h ALA 60 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2osq h ALA 60 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2osq h ALA 60 CO 0.01 -0.64 0.28 0.82 0.00 0.00 0.00 179.25 179.71 2osq h ILE 61 N 0.23 1.25 0.00 0.00 2.04 -1.25 0.33 117.51 120.12 2osq h ILE 61 Ca 0.40 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 2osq h ILE 61 Cb 1.22 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2osq h ILE 61 CO -0.09 0.33 -0.84 -0.08 0.00 0.00 0.00 178.15 177.47 2osq h GLU 62 N 1.06 0.00 0.00 2.37 4.81 -0.94 -3.16 114.58 118.72 2osq h GLU 62 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2osq h GLU 62 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2osq h GLU 62 CO -0.02 0.21 -0.03 0.93 -0.73 0.00 0.00 179.01 179.37 2osq h GLU 63 N 0.00 0.00 -0.81 1.92 4.39 -0.11 -3.36 114.58 116.61 2osq h GLU 63 Ca -0.05 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.87 2osq h GLU 63 Cb 1.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 2osq h GLU 63 CO 0.03 0.00 0.57 0.28 -1.16 0.00 0.00 179.01 178.73 2osq h VAL 64 N -0.33 0.62 -2.35 3.13 2.07 -0.56 -3.41 116.25 115.43 2osq h VAL 64 Ca 0.00 -0.03 -0.55 0.00 0.82 0.00 0.00 66.70 66.94 2osq h VAL 64 Cb 0.03 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2osq h VAL 64 CO 0.00 0.01 1.26 -2.28 0.02 0.00 0.00 177.57 176.59 2osq s HIS 65 N -5.07 1.40 0.00 1.57 5.65 -1.19 -1.35 115.29 116.28 2osq s HIS 65 Ca -0.06 -0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.15 2osq s HIS 65 Cb 0.21 -4.12 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 2osq s HIS 65 CO 0.76 -4.87 0.00 0.41 -0.65 0.00 0.00 174.74 170.40 2osq n GLY 66 N 4.76 0.79 2.44 1.59 0.00 -1.04 -4.94 105.19 108.78 2osq n GLY 66 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.02 -1.58 -4.45 1.61 4.76 -0.46 -4.74 118.16 111.28 2osq n LYS 67 Ca 0.00 -1.26 -0.22 0.00 -2.87 0.00 0.00 58.31 53.95 2osq n LYS 67 Cb 0.00 -0.99 -0.14 0.00 -1.84 0.00 0.00 35.03 32.07 2osq n LYS 67 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2osq s SER 68 N -3.86 1.99 -0.29 4.39 0.01 -1.26 -0.31 113.70 114.37 2osq s SER 68 Ca 0.48 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 57.00 2osq s SER 68 Cb -0.03 -0.14 0.15 0.00 0.21 0.00 0.00 66.02 66.21 2osq s SER 68 CO 0.35 0.08 1.19 0.12 0.41 0.00 0.00 173.24 175.39 2osq s PHE 69 N -0.85 -0.32 -1.48 2.43 5.36 0.10 -4.84 117.98 118.38 2osq s PHE 69 Ca 0.04 0.78 -0.12 0.00 -0.96 0.00 0.00 56.93 56.67 2osq s PHE 69 Cb -0.08 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 43.08 2osq s PHE 69 CO 0.02 -0.15 0.78 0.00 -1.46 0.00 0.00 175.22 174.40 2osq n ALA 70 N 1.98 -1.17 -3.09 11.12 0.00 -1.26 -0.42 120.51 127.67 2osq n ALA 70 Ca -0.12 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 2osq n ALA 70 Cb 0.56 -3.85 0.04 0.00 0.00 0.00 0.00 19.45 16.20 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 -2.62 -6.03 -3.71 0.00 5.03 -1.26 -4.98 115.26 101.70 2osq n ASN 71 Ca 0.01 -0.32 -0.14 0.00 0.87 0.00 0.00 54.58 55.00 2osq n ASN 71 Cb 0.54 -4.86 -0.09 0.00 -1.02 0.00 0.00 39.78 34.35 2osq n ASN 71 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2osq s GLN 72 N -5.78 0.69 0.04 3.52 -1.52 0.44 -5.14 119.66 111.91 2osq s GLN 72 Ca 0.34 0.14 -0.31 0.00 -1.95 0.00 0.00 55.36 53.58 2osq s GLN 72 Cb -0.15 0.32 -0.06 0.00 -0.22 0.00 0.00 33.01 32.89 2osq s GLN 72 CO 0.41 -0.17 1.42 -1.25 -0.25 0.00 0.00 175.29 175.45 2osq s PRO 73 N -0.81 4.29 0.56 2.91 0.04 -1.26 -0.72 135.00 140.00 2osq s PRO 73 Ca -0.09 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 2osq s PRO 73 Cb -0.04 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 2osq s PRO 73 CO 0.04 -0.54 0.98 -0.51 0.04 0.00 0.00 177.00 177.01 2osq s LEU 74 N 2.03 3.44 -0.10 -3.56 1.43 0.58 -4.92 118.68 117.58 2osq s LEU 74 Ca 0.65 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 55.12 2osq s LEU 74 Cb -0.34 -4.42 0.05 0.00 0.03 0.00 0.00 46.19 41.51 2osq s LEU 74 CO 0.28 -0.71 0.24 -1.61 0.23 0.00 0.00 176.35 174.77 2osq s GLU 75 N -4.65 0.19 -0.00 1.70 2.02 -1.26 -2.50 118.70 114.20 2osq s GLU 75 Ca 0.56 0.52 0.01 0.00 0.02 0.00 0.00 54.97 56.08 2osq s GLU 75 Cb -0.10 -0.13 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 2osq s GLU 75 CO 0.43 -0.17 -0.05 0.08 0.02 0.00 0.00 175.26 175.58 2osq s VAL 76 N 1.28 0.37 0.24 2.63 1.01 -1.26 -1.99 120.40 122.68 2osq s VAL 76 Ca -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2osq s VAL 76 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2osq s VAL 76 CO -0.08 0.08 0.26 0.68 0.00 0.00 0.00 175.10 176.05 2osq s VAL 77 N -0.16 0.00 -0.58 2.92 -7.23 -0.47 -4.67 120.40 110.22 2osq s VAL 77 Ca 0.01 -1.81 -0.27 0.00 -1.81 0.00 0.00 61.98 58.10 2osq s VAL 77 Cb -0.02 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2osq s VAL 77 CO -0.00 0.00 1.71 -0.31 -0.31 0.00 0.00 175.10 176.19 2osq s TYR 78 N -3.96 1.87 -0.09 2.82 2.02 -1.26 0.14 117.35 118.88 2osq s TYR 78 Ca 0.34 0.62 -0.37 0.00 -0.37 0.00 0.00 57.07 57.30 2osq s TYR 78 Cb 0.04 -4.21 -0.14 0.00 -0.40 0.00 0.00 41.96 37.25 2osq s TYR 78 CO 0.13 -2.30 1.68 0.43 -1.57 0.00 0.00 175.55 173.92 2osq n SER 79 N 11.46 2.66 0.00 2.29 7.64 -0.58 -4.65 113.62 132.45 2osq n SER 79 Ca 0.17 1.05 0.01 0.00 1.01 0.00 0.00 58.87 61.12 2osq n SER 79 Cb 0.50 -1.26 0.04 0.00 -1.01 0.00 0.00 64.21 62.48 2osq n SER 79 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32