#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 2.22 0.47 -1.84 0.05 -1.26 -4.70 118.68 113.62 2osq s LEU 8 Ca 0.00 1.04 0.07 0.00 0.05 0.00 0.00 54.13 55.30 2osq s LEU 8 Cb 0.00 -3.46 0.01 0.00 -2.05 0.00 0.00 46.19 40.68 2osq s LEU 8 CO 0.00 -2.33 0.43 -0.44 -0.55 0.00 0.00 176.35 173.45 2osq s SER 9 N -4.04 4.93 -0.03 1.48 0.01 -1.25 -4.99 113.70 109.80 2osq s SER 9 Ca 0.63 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 2osq s SER 9 Cb -0.14 -0.19 -0.27 0.00 0.21 0.00 0.00 66.02 65.63 2osq s SER 9 CO 0.53 -0.86 0.73 -0.55 0.41 0.00 0.00 173.24 173.51 2osq h ASN 10 N 0.86 0.32 -2.20 2.44 -1.07 -1.98 -3.44 115.58 110.52 2osq h ASN 10 Ca -0.39 -0.53 -0.43 0.00 0.07 0.00 0.00 56.30 55.03 2osq h ASN 10 Cb 1.28 -0.11 -0.34 0.00 -2.07 0.00 0.00 38.32 37.08 2osq h ASN 10 CO 0.56 1.45 -0.73 0.42 0.07 0.00 0.00 177.43 179.20 2osq s THR 11 N -2.60 -0.20 -0.30 6.14 -4.23 -1.26 -4.10 115.64 109.08 2osq s THR 11 Ca -0.11 -1.08 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 2osq s THR 11 Cb 0.07 -0.86 0.20 0.00 1.34 0.00 0.00 72.50 73.25 2osq s THR 11 CO 0.83 -0.68 1.31 -0.60 -0.54 0.00 0.00 174.62 174.94 2osq s ARG 12 N 1.53 0.02 -0.18 3.99 3.52 -1.26 -4.46 118.95 122.10 2osq s ARG 12 Ca 0.15 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 2osq s ARG 12 Cb -0.17 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2osq s ARG 12 CO -0.09 -0.01 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.69 2osq s LEU 13 N 1.94 2.18 -0.30 -0.88 1.43 0.12 -0.26 118.68 122.90 2osq s LEU 13 Ca 0.00 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 2osq s LEU 13 Cb -0.00 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2osq s LEU 13 CO -0.15 -0.01 0.47 0.12 0.23 0.00 0.00 176.35 177.01 2osq s PHE 14 N 1.29 3.23 0.31 0.29 5.36 0.11 -0.23 117.98 128.34 2osq s PHE 14 Ca 0.05 0.38 0.06 0.00 -0.96 0.00 0.00 56.93 56.46 2osq s PHE 14 Cb -0.13 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.77 2osq s PHE 14 CO -0.13 -0.37 0.40 0.08 -1.46 0.00 0.00 175.22 173.74 2osq s VAL 15 N 2.27 4.30 0.89 3.12 1.01 0.11 -1.49 120.40 130.62 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 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 32.87 2osq s VAL 15 CO 0.11 -0.21 1.15 0.00 0.00 0.00 0.00 175.10 176.15 2osq s ARG 16 N -4.08 1.29 -0.04 2.72 1.70 -0.67 -2.20 118.95 117.67 2osq s ARG 16 Ca 0.41 0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.61 2osq s ARG 16 Cb -0.09 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.38 2osq s ARG 16 CO 0.29 -2.08 1.48 -1.25 -1.08 0.00 0.00 175.30 172.66 2osq s PRO 17 N -5.36 4.23 0.38 3.89 0.04 -1.25 -4.00 135.00 132.93 2osq s PRO 17 Ca 0.64 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2osq s PRO 17 Cb -0.14 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.63 2osq s PRO 17 CO 0.52 -0.70 0.62 -0.06 0.04 0.00 0.00 177.00 177.42 2osq s PHE 18 N 3.14 3.52 0.00 0.56 0.40 -1.26 -4.96 117.98 119.37 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 -0.31 -2.02 0.00 0.00 0.51 0.00 0.00 43.02 41.20 2osq s PHE 18 CO 0.26 0.01 0.00 -0.35 0.70 0.00 0.00 175.22 175.84 2osq n PRO 19 N -1.88 0.70 0.32 0.24 -0.04 -1.26 -4.53 135.00 128.56 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 0.81 0.00 -0.04 0.00 0.00 33.50 34.83 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 -2.24 1.53 -0.00 -2.04 0.41 115.31 112.98 2osq h LEU 20 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2osq h LEU 20 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 2osq h LEU 20 CO 0.00 0.00 0.05 0.47 -0.00 0.00 0.00 178.44 178.96 2osq n ASP 21 N -2.94 3.09 -4.56 0.17 9.92 -1.26 -4.82 116.55 116.15 2osq n ASP 21 Ca -0.01 -2.45 -0.35 0.00 -0.53 0.00 0.00 54.79 51.45 2osq n ASP 21 Cb 0.40 -0.59 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2osq s VAL 22 N -1.69 3.66 0.06 2.53 0.11 0.14 -4.73 120.40 120.48 2osq s VAL 22 Ca 0.23 -0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 58.74 2osq s VAL 22 Cb 0.18 -4.51 0.02 0.00 -1.53 0.00 0.00 36.38 30.55 2osq s VAL 22 CO 0.06 -1.43 0.31 0.00 -3.33 0.00 0.00 175.10 170.72 2osq s GLN 23 N 6.08 0.86 0.66 1.54 -2.07 -1.26 -4.93 119.66 120.54 2osq s GLN 23 Ca 0.57 -0.60 0.33 0.00 -1.82 0.00 0.00 55.36 53.84 2osq s GLN 23 Cb -0.05 0.37 1.81 0.00 -1.09 0.00 0.00 33.01 34.06 2osq s GLN 23 CO -0.01 -0.29 2.03 1.05 -1.32 0.00 0.00 175.29 176.75 2osq h GLU 24 N 2.99 0.00 -0.11 9.60 4.11 -1.95 -1.87 114.58 127.35 2osq h GLU 24 Ca -0.32 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.14 2osq h GLU 24 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2osq h GLU 24 CO 0.48 0.00 -0.09 1.03 0.07 0.00 0.00 179.01 180.49 2osq h SER 25 N 0.00 -0.30 -0.11 3.06 0.87 -1.95 0.51 113.55 115.63 2osq h SER 25 Ca 0.02 0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 2osq h SER 25 Cb 0.53 0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2osq h SER 25 CO -0.00 -0.13 -0.62 1.05 -0.53 0.00 0.00 176.83 176.60 2osq h GLU 26 N -0.11 0.61 -0.53 2.24 4.11 -1.63 -1.71 114.58 117.57 2osq h GLU 26 Ca 0.08 -0.51 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 2osq h GLU 26 Cb 0.22 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2osq h GLU 26 CO -0.18 1.13 0.32 -0.07 0.07 0.00 0.00 179.01 180.28 2osq h LEU 27 N 0.26 0.62 0.11 3.06 4.07 -1.34 0.13 115.31 122.22 2osq h LEU 27 Ca -0.05 -0.03 -0.29 0.00 0.08 0.00 0.00 57.88 57.59 2osq h LEU 27 Cb 1.27 -0.16 0.03 0.00 1.08 0.00 0.00 40.66 42.88 2osq h LEU 27 CO 0.13 0.48 -1.19 0.78 -1.08 0.00 0.00 178.44 177.56 2osq h ASN 28 N 0.72 0.87 1.11 -0.43 2.35 0.02 0.80 115.58 121.02 2osq h ASN 28 Ca 0.19 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2osq h ASN 28 Cb -0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.07 2osq h ASN 28 CO -0.04 1.59 0.00 -0.33 -1.65 0.00 0.00 177.43 177.01 2osq h GLU 29 N 0.25 0.00 0.00 0.81 4.39 -0.91 0.50 114.58 119.63 2osq h GLU 29 Ca -0.18 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.23 2osq h GLU 29 Cb 1.87 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 2osq h GLU 29 CO 0.23 0.00 -1.72 -0.89 -1.16 0.00 0.00 179.01 175.47 2osq n ILE 30 N -3.07 1.52 1.61 3.13 5.41 0.43 -4.34 119.36 124.04 2osq n ILE 30 Ca 0.01 -0.14 0.15 0.00 1.00 0.00 0.00 62.75 63.77 2osq n ILE 30 Cb 0.32 -2.04 0.73 0.00 -0.71 0.00 0.00 39.64 37.95 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 0.27 1.39 3.01 0.27 -4.16 117.46 113.87 2osq n PHE 31 Ca -0.38 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 57.91 2osq n PHE 31 Cb 0.72 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.97 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 -1.23 -5.57 1.37 0.00 -0.13 -3.18 103.07 99.29 2osq h GLY 32 Ca 0.00 0.58 -0.35 0.00 0.00 0.00 0.00 47.33 47.56 2osq h GLY 32 CO 0.00 -0.36 2.40 -1.55 0.00 0.00 0.00 176.54 177.03 2osq n PRO 33 N -5.30 1.80 0.00 4.80 -0.04 -1.26 -3.08 135.00 131.92 2osq n PRO 33 Ca -0.11 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2osq n PRO 33 Cb 0.43 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 4.50 -0.15 0.00 0.54 3.72 -1.20 -5.09 117.46 119.77 2osq n PHE 34 Ca 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2osq n PHE 34 Cb 0.13 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.27 -0.29 3.56 1.37 0.00 -1.18 -4.67 105.19 104.25 2osq n GLY 35 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 2.57 -0.24 1.61 0.04 -1.26 -4.87 135.00 130.85 2osq s PRO 36 Ca 0.00 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 2osq s PRO 36 Cb 0.00 -4.91 -0.05 0.00 0.04 0.00 0.00 34.50 29.59 2osq s PRO 36 CO 0.00 -3.22 2.19 0.00 0.04 0.00 0.00 177.00 176.00 2osq s MET 37 N 7.01 3.12 0.39 4.56 0.23 -1.26 -0.08 119.30 133.27 2osq s MET 37 Ca 0.69 1.96 0.09 0.00 -1.03 0.00 0.00 55.69 57.39 2osq s MET 37 Cb -0.08 -4.36 0.81 0.00 -1.53 0.00 0.00 34.83 29.66 2osq s MET 37 CO 0.04 -2.12 1.96 -0.22 -2.03 0.00 0.00 175.02 172.65 2osq h LYS 38 N 14.98 0.33 -2.33 3.16 3.64 -0.62 -3.44 116.57 132.29 2osq h LYS 38 Ca -0.40 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.06 2osq h LYS 38 Cb 1.23 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 2osq h LYS 38 CO 0.97 0.37 0.48 -2.00 -2.27 0.00 0.00 179.45 177.00 2osq s GLU 39 N -4.95 1.01 -0.15 1.90 2.56 0.42 -4.96 118.70 114.52 2osq s GLU 39 Ca -0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 54.97 54.35 2osq s GLU 39 Cb 0.16 0.40 0.05 0.00 2.00 0.00 0.00 34.13 36.74 2osq s GLU 39 CO 0.73 -0.45 0.37 0.14 -0.56 0.00 0.00 175.26 175.49 2osq s VAL 40 N -3.22 -0.03 -0.08 3.70 -7.23 -1.26 -0.74 120.40 111.54 2osq s VAL 40 Ca 0.08 0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.39 2osq s VAL 40 Cb -0.01 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2osq s VAL 40 CO -0.04 0.04 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.04 2osq s LYS 41 N 1.22 2.85 -0.23 4.82 -0.14 0.70 -4.99 119.74 123.96 2osq s LYS 41 Ca -0.08 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2osq s LYS 41 Cb -0.08 -2.32 0.06 0.00 -1.68 0.00 0.00 37.83 33.81 2osq s LYS 41 CO -0.10 0.32 -0.04 0.42 -0.76 0.00 0.00 175.35 175.19 2osq s ILE 42 N 0.01 1.42 0.05 2.17 -1.09 -1.26 -0.41 121.20 122.08 2osq s ILE 42 Ca -0.07 -1.17 0.08 0.00 -2.23 0.00 0.00 60.65 57.25 2osq s ILE 42 Cb -0.15 -1.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 2osq s ILE 42 CO 0.05 -0.14 -0.21 -0.76 -1.23 0.00 0.00 174.94 172.65 2osq s LEU 43 N 1.44 2.18 -0.70 2.97 1.43 -0.67 -5.01 118.68 120.32 2osq s LEU 43 Ca -0.05 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 2osq s LEU 43 Cb -0.19 -1.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 2osq s LEU 43 CO -0.07 0.16 2.17 0.21 0.23 0.00 0.00 176.35 179.05 2osq s ASN 44 N -1.27 4.66 0.00 2.29 3.84 -1.26 -1.38 114.94 121.82 2osq s ASN 44 Ca 0.08 0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.35 2osq s ASN 44 Cb -0.09 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2osq s ASN 44 CO 0.02 -3.00 0.00 0.61 -2.79 0.00 0.00 177.10 171.95 2osq n GLY 45 N 6.35 1.38 3.59 1.21 0.00 -1.26 -5.10 105.19 111.36 2osq n GLY 45 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.03 -0.45 0.14 1.61 -0.12 -0.48 -3.94 117.98 113.71 2osq s PHE 46 Ca 0.00 0.88 0.09 0.00 -0.05 0.00 0.00 56.93 57.85 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 -0.35 -0.21 0.00 -0.05 0.00 0.00 175.22 174.61 2osq s ALA 47 N -0.74 2.01 0.01 1.99 0.00 -0.94 -1.67 121.76 122.42 2osq s ALA 47 Ca -0.02 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2osq s ALA 47 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2osq s ALA 47 CO 0.01 0.34 -0.03 -0.06 0.00 0.00 0.00 175.76 176.02 2osq s PHE 48 N -1.51 0.29 -0.17 0.00 0.08 0.45 0.09 117.98 117.21 2osq s PHE 48 Ca 0.12 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 2osq s PHE 48 Cb -0.08 -0.19 0.07 0.00 -0.57 0.00 0.00 43.02 42.25 2osq s PHE 48 CO 0.06 -0.07 0.17 0.08 -0.10 0.00 0.00 175.22 175.36 2osq s VAL 49 N -0.65 -0.24 -0.35 -0.44 1.01 0.68 -0.22 120.40 120.20 2osq s VAL 49 Ca -0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2osq s VAL 49 Cb -0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 2osq s VAL 49 CO -0.00 -0.17 0.22 -0.70 0.00 0.00 0.00 175.10 174.44 2osq s GLU 50 N 2.26 3.28 0.34 2.72 2.12 0.08 0.14 118.70 129.64 2osq s GLU 50 Ca 0.05 -0.78 -0.13 0.00 0.36 0.00 0.00 54.97 54.46 2osq s GLU 50 Cb -0.15 -3.75 -0.08 0.00 0.26 0.00 0.00 34.13 30.41 2osq s GLU 50 CO -0.10 -0.51 0.74 -0.06 -0.54 0.00 0.00 175.26 174.78 2osq s PHE 51 N 1.66 3.40 -1.97 5.30 0.08 -1.26 0.01 117.98 125.20 2osq s PHE 51 Ca 0.05 1.14 0.29 0.00 0.12 0.00 0.00 56.93 58.53 2osq s PHE 51 Cb -0.18 -2.49 1.72 0.00 -0.57 0.00 0.00 43.02 41.50 2osq s PHE 51 CO 0.09 0.04 2.07 -1.91 -0.10 0.00 0.00 175.22 175.41 2osq n GLU 52 N -0.64 0.88 -3.72 0.44 2.13 0.89 -4.40 120.64 116.22 2osq n GLU 52 Ca 0.03 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.67 2osq n GLU 52 Cb 0.53 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.57 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 -2.03 -0.06 0.29 5.31 2.02 -1.26 -4.98 118.70 118.00 2osq s GLU 53 Ca 0.43 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2osq s GLU 53 Cb 0.20 -0.39 0.67 0.00 0.10 0.00 0.00 34.13 34.71 2osq s GLU 53 CO 0.34 -0.26 1.79 0.00 0.02 0.00 0.00 175.26 177.15 2osq h ALA 54 N 7.92 1.59 0.21 5.21 0.00 -1.83 -1.64 119.26 130.72 2osq h ALA 54 Ca -0.27 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2osq h ALA 54 Cb 1.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2osq h ALA 54 CO 0.30 0.02 -0.13 1.49 0.00 0.00 0.00 179.25 180.93 2osq h GLU 55 N 0.81 -0.32 -0.86 0.00 4.81 -1.96 0.20 114.58 117.26 2osq h GLU 55 Ca 0.55 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.91 2osq h GLU 55 Cb 0.76 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 2osq h GLU 55 CO -0.35 -0.21 0.56 0.77 -0.73 0.00 0.00 179.01 179.04 2osq h SER 56 N -0.33 0.71 0.11 1.04 0.02 -1.60 -0.64 113.55 112.86 2osq h SER 56 Ca -0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2osq h SER 56 Cb 0.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2osq h SER 56 CO 0.02 0.40 -0.05 0.00 -1.14 0.00 0.00 176.83 176.06 2osq h ALA 57 N 1.58 -0.14 -0.74 3.77 0.00 -0.90 -1.39 119.26 121.43 2osq h ALA 57 Ca 0.41 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.23 2osq h ALA 57 Cb 0.52 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2osq h ALA 57 CO -0.18 -0.28 0.50 0.00 0.00 0.00 0.00 179.25 179.29 2osq h ALA 58 N 0.00 2.25 0.09 0.00 0.00 -0.19 -0.75 119.26 120.65 2osq h ALA 58 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2osq h ALA 58 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2osq h ALA 58 CO 0.02 -0.45 -0.04 0.87 0.00 0.00 0.00 179.25 179.65 2osq h LYS 59 N 0.31 -0.11 -0.92 0.00 1.79 -1.12 -3.23 116.57 113.28 2osq h LYS 59 Ca 0.37 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 59.08 2osq h LYS 59 Cb 0.98 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.60 2osq h LYS 59 CO -0.10 0.35 0.63 0.00 -1.08 0.00 0.00 179.45 179.25 2osq h ALA 60 N -0.42 2.46 -0.53 3.86 0.00 -0.78 0.41 119.26 124.25 2osq h ALA 60 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2osq h ALA 60 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2osq h ALA 60 CO 0.02 -0.75 0.08 0.82 0.00 0.00 0.00 179.25 179.42 2osq h ILE 61 N 0.25 1.24 0.00 0.00 2.04 -1.22 0.25 117.51 120.07 2osq h ILE 61 Ca 0.47 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2osq h ILE 61 Cb 1.43 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2osq h ILE 61 CO -0.13 0.33 -0.66 -0.62 0.00 0.00 0.00 178.15 177.07 2osq n GLU 62 N -4.25 0.03 -0.08 2.37 -0.58 0.72 -3.31 120.64 115.55 2osq n GLU 62 Ca 0.03 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 2osq n GLU 62 Cb 0.26 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.56 0.47 -0.03 3.49 -0.58 0.11 -4.43 120.64 118.12 2osq n GLU 63 Ca 0.05 0.47 0.01 0.00 -0.42 0.00 0.00 57.16 57.26 2osq n GLU 63 Cb 0.35 -1.65 0.31 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.00 1.18 -2.33 2.62 2.07 -0.73 -3.42 116.25 114.64 2osq h VAL 64 Ca -0.03 -0.63 -0.53 0.00 0.82 0.00 0.00 66.70 66.33 2osq h VAL 64 Cb 0.66 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2osq h VAL 64 CO -0.02 0.23 1.25 1.57 0.02 0.00 0.00 177.57 180.62 2osq n HIS 65 N -4.33 2.49 -0.19 1.57 -0.00 -1.21 -1.19 115.22 112.36 2osq n HIS 65 Ca 0.03 -0.37 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 2osq n HIS 65 Cb 0.19 -2.80 0.00 0.00 -0.00 0.00 0.00 29.99 27.37 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 4.62 0.82 2.39 1.57 0.00 -1.15 -4.92 105.19 108.52 2osq n GLY 66 Ca 0.21 0.00 -0.18 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 -2.14 -0.68 -4.73 1.61 4.76 -0.33 -4.80 118.16 111.84 2osq n LYS 67 Ca 0.00 -1.33 -0.27 0.00 -2.87 0.00 0.00 58.31 53.85 2osq n LYS 67 Cb 0.00 -0.79 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 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 2.59 -0.29 4.39 1.04 -1.26 -0.72 113.70 115.50 2osq s SER 68 Ca 0.46 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 2osq s SER 68 Cb -0.01 -0.23 0.16 0.00 0.10 0.00 0.00 66.02 66.04 2osq s SER 68 CO 0.32 0.19 1.11 0.12 0.98 0.00 0.00 173.24 175.95 2osq s PHE 69 N -0.76 -0.38 -1.43 5.02 2.19 -0.23 -4.85 117.98 117.53 2osq s PHE 69 Ca 0.08 0.80 -0.05 0.00 0.33 0.00 0.00 56.93 58.10 2osq s PHE 69 Cb -0.09 0.30 0.01 0.00 -1.31 0.00 0.00 43.02 41.93 2osq s PHE 69 CO 0.01 -0.19 0.67 0.00 1.83 0.00 0.00 175.22 177.55 2osq n ALA 70 N 3.01 -0.97 -2.75 11.12 0.00 -1.26 -1.72 120.51 127.93 2osq n ALA 70 Ca -0.16 0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 2osq n ALA 70 Cb 0.57 -3.99 0.02 0.00 0.00 0.00 0.00 19.45 16.04 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 -2.35 -5.98 -3.70 0.00 3.02 -1.26 -4.97 115.26 100.02 2osq n ASN 71 Ca -0.09 -0.17 -0.14 0.00 -0.03 0.00 0.00 54.58 54.15 2osq n ASN 71 Cb 0.60 -4.89 -0.08 0.00 -0.61 0.00 0.00 39.78 34.80 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 -5.42 0.77 0.01 3.52 -0.21 -0.70 -5.14 119.66 112.49 2osq s GLN 72 Ca 0.17 -0.11 -0.30 0.00 0.02 0.00 0.00 55.36 55.14 2osq s GLN 72 Cb -0.08 0.35 -0.06 0.00 1.00 0.00 0.00 33.01 34.22 2osq s GLN 72 CO 0.21 -0.22 1.44 -1.25 -2.12 0.00 0.00 175.29 173.35 2osq s PRO 73 N -1.37 4.27 0.65 2.91 0.04 -1.26 -1.07 135.00 139.17 2osq s PRO 73 Ca -0.13 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 2osq s PRO 73 Cb -0.04 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 2osq s PRO 73 CO 0.05 -0.60 1.05 -0.51 0.04 0.00 0.00 177.00 177.02 2osq s LEU 74 N 2.47 3.15 -0.09 -3.56 1.43 0.10 -4.93 118.68 117.26 2osq s LEU 74 Ca 0.65 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 2osq s LEU 74 Cb -0.33 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 41.54 2osq s LEU 74 CO 0.27 -1.08 0.19 -1.61 0.23 0.00 0.00 176.35 174.35 2osq s GLU 75 N -5.17 0.13 -0.01 1.70 2.02 -1.26 -2.96 118.70 113.15 2osq s GLU 75 Ca 0.56 0.48 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2osq s GLU 75 Cb -0.12 -0.16 0.01 0.00 0.10 0.00 0.00 34.13 33.97 2osq s GLU 75 CO 0.54 -0.19 0.00 0.08 0.02 0.00 0.00 175.26 175.72 2osq s VAL 76 N 1.42 0.05 0.22 2.63 1.01 -1.26 -1.67 120.40 122.81 2osq s VAL 76 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2osq s VAL 76 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2osq s VAL 76 CO -0.07 0.07 0.18 0.68 0.00 0.00 0.00 175.10 175.96 2osq s VAL 77 N 0.51 0.00 -0.60 2.92 -7.23 -0.55 -4.60 120.40 110.85 2osq s VAL 77 Ca -0.04 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 2osq s VAL 77 Cb -0.07 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2osq s VAL 77 CO -0.01 0.00 1.92 -0.31 -0.31 0.00 0.00 175.10 176.39 2osq s TYR 78 N -4.03 1.59 0.10 2.82 2.02 -1.26 0.10 117.35 118.70 2osq s TYR 78 Ca 0.38 0.87 -0.32 0.00 -0.37 0.00 0.00 57.07 57.63 2osq s TYR 78 Cb 0.06 -4.03 -0.12 0.00 -0.40 0.00 0.00 41.96 37.47 2osq s TYR 78 CO 0.14 -2.33 1.78 0.45 -1.57 0.00 0.00 175.55 174.02 2osq n SER 79 N 13.12 3.72 0.00 2.29 2.88 0.63 -4.58 113.62 131.68 2osq n SER 79 Ca 0.22 1.01 0.05 0.00 -1.33 0.00 0.00 58.87 58.82 2osq n SER 79 Cb 0.52 -1.49 0.28 0.00 -0.75 0.00 0.00 64.21 62.77 2osq n SER 79 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10