#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 2.57 0.47 -1.84 0.05 -1.26 -4.68 118.68 113.99 2osq s LEU 8 Ca 0.00 0.70 0.07 0.00 0.05 0.00 0.00 54.13 54.95 2osq s LEU 8 Cb 0.00 -3.22 0.01 0.00 -2.05 0.00 0.00 46.19 40.93 2osq s LEU 8 CO 0.00 -1.86 0.43 -0.44 -0.55 0.00 0.00 176.35 173.93 2osq s SER 9 N -4.57 4.94 -0.03 1.48 0.01 -1.25 -5.01 113.70 109.27 2osq s SER 9 Ca 0.62 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 2osq s SER 9 Cb -0.11 -0.21 -0.27 0.00 0.21 0.00 0.00 66.02 65.64 2osq s SER 9 CO 0.48 -0.85 0.73 -0.55 0.41 0.00 0.00 173.24 173.46 2osq h ASN 10 N 0.86 0.37 -2.20 2.44 -1.07 -1.99 -3.44 115.58 110.56 2osq h ASN 10 Ca -0.39 -0.59 -0.45 0.00 0.07 0.00 0.00 56.30 54.94 2osq h ASN 10 Cb 1.28 -0.12 -0.34 0.00 -2.07 0.00 0.00 38.32 37.07 2osq h ASN 10 CO 0.56 1.50 -0.75 0.42 0.07 0.00 0.00 177.43 179.23 2osq s THR 11 N -2.60 -0.16 0.00 6.14 -4.23 -1.26 -4.23 115.64 109.30 2osq s THR 11 Ca -0.12 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2osq s THR 11 Cb 0.07 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.06 2osq s THR 11 CO 0.83 -0.74 0.00 -1.14 -0.54 0.00 0.00 174.62 173.04 2osq n ARG 12 N 4.21 0.00 -4.50 3.99 0.63 -1.26 -4.43 116.66 115.30 2osq n ARG 12 Ca 0.11 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.73 2osq n ARG 12 Cb 0.42 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.17 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 1.90 -0.25 6.15 1.43 0.29 -0.08 118.68 128.13 2osq s LEU 13 Ca 0.00 -0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 2osq s LEU 13 Cb 0.00 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2osq s LEU 13 CO 0.00 0.04 0.41 0.12 0.23 0.00 0.00 176.35 177.15 2osq s PHE 14 N 0.97 3.29 0.35 0.29 5.36 0.14 -0.61 117.98 127.78 2osq s PHE 14 Ca -0.05 0.52 0.07 0.00 -0.96 0.00 0.00 56.93 56.51 2osq s PHE 14 Cb -0.15 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.93 2osq s PHE 14 CO -0.03 -0.17 0.43 0.08 -1.46 0.00 0.00 175.22 174.07 2osq s VAL 15 N 1.88 3.74 0.86 3.12 1.01 0.11 -1.46 120.40 129.67 2osq s VAL 15 Ca 0.18 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2osq s VAL 15 Cb -0.15 -3.28 0.11 0.00 0.00 0.00 0.00 36.38 33.05 2osq s VAL 15 CO 0.09 -0.13 1.13 -0.13 0.00 0.00 0.00 175.10 176.06 2osq s ARG 16 N -4.15 1.52 -0.01 2.72 0.52 -0.77 -2.06 118.95 116.73 2osq s ARG 16 Ca 0.45 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.70 2osq s ARG 16 Cb -0.08 -1.88 -0.06 0.00 0.52 0.00 0.00 34.95 33.45 2osq s ARG 16 CO 0.30 -1.94 1.45 -1.25 0.02 0.00 0.00 175.30 173.88 2osq s PRO 17 N -5.31 4.26 0.35 3.54 0.04 -1.26 -3.97 135.00 132.64 2osq s PRO 17 Ca 0.63 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2osq s PRO 17 Cb -0.14 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2osq s PRO 17 CO 0.53 -0.63 0.57 -0.06 0.04 0.00 0.00 177.00 177.44 2osq s PHE 18 N 2.68 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 118.90 2osq s PHE 18 Ca 0.66 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 2osq s PHE 18 Cb -0.32 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.22 2osq s PHE 18 CO 0.27 0.09 0.00 -0.35 0.70 0.00 0.00 175.22 175.93 2osq n PRO 19 N -1.63 0.93 0.27 0.24 -0.04 -1.26 -4.51 135.00 129.00 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 0.55 0.00 0.75 0.00 -0.04 0.00 0.00 33.50 34.76 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 -2.04 0.43 115.31 120.99 2osq h LEU 20 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.91 2osq h LEU 20 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 2osq h LEU 20 CO 0.00 0.00 0.10 -0.67 -4.11 0.00 0.00 178.44 173.76 2osq n ASP 21 N -3.05 3.09 -4.56 0.17 -0.08 -1.26 -4.81 116.55 106.05 2osq n ASP 21 Ca 0.01 -2.49 -0.39 0.00 -1.51 0.00 0.00 54.79 50.41 2osq n ASP 21 Cb 0.48 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 43.31 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2osq s VAL 22 N -1.59 3.82 0.30 5.18 0.11 0.15 -4.72 120.40 123.65 2osq s VAL 22 Ca 0.23 -0.62 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2osq s VAL 22 Cb 0.18 -4.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.16 2osq s VAL 22 CO 0.06 -1.76 0.43 0.00 -3.33 0.00 0.00 175.10 170.50 2osq s GLN 23 N 5.39 1.72 0.48 1.54 -2.07 -1.26 -4.88 119.66 120.59 2osq s GLN 23 Ca 0.50 -1.61 0.26 0.00 -1.82 0.00 0.00 55.36 52.69 2osq s GLN 23 Cb -0.02 0.43 1.17 0.00 -1.09 0.00 0.00 33.01 33.50 2osq s GLN 23 CO -0.07 -0.70 1.93 1.05 -1.32 0.00 0.00 175.29 176.19 2osq h GLU 24 N 2.21 0.00 -0.40 9.60 4.11 -1.92 -3.02 114.58 125.17 2osq h GLU 24 Ca -0.29 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.21 2osq h GLU 24 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2osq h GLU 24 CO 0.40 0.17 0.07 1.03 0.07 0.00 0.00 179.01 180.74 2osq h SER 25 N 0.00 -0.01 -0.11 3.06 0.87 -1.96 0.37 113.55 115.77 2osq h SER 25 Ca -0.00 0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.41 2osq h SER 25 Cb 0.57 0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2osq h SER 25 CO 0.02 0.03 -0.80 1.05 -0.53 0.00 0.00 176.83 176.60 2osq h GLU 26 N 0.19 0.74 -0.36 2.24 4.11 -1.82 -1.23 114.58 118.44 2osq h GLU 26 Ca 0.19 -0.64 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2osq h GLU 26 Cb 0.24 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2osq h GLU 26 CO -0.26 1.25 0.15 -0.07 0.07 0.00 0.00 179.01 180.15 2osq h LEU 27 N 0.44 0.45 0.19 3.06 3.38 -1.33 0.17 115.31 121.66 2osq h LEU 27 Ca -0.07 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.59 2osq h LEU 27 Cb 1.44 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 42.10 2osq h LEU 27 CO 0.16 0.41 -1.22 0.78 0.09 0.00 0.00 178.44 178.66 2osq h ASN 28 N 0.50 0.63 0.93 -0.43 2.35 -0.25 -0.48 115.58 118.83 2osq h ASN 28 Ca 0.13 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 2osq h ASN 28 Cb 0.10 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2osq h ASN 28 CO -0.01 1.58 0.00 -0.33 -1.65 0.00 0.00 177.43 177.01 2osq h GLU 29 N -0.12 0.00 0.00 0.81 4.39 -0.97 0.48 114.58 119.17 2osq h GLU 29 Ca -0.22 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 2osq h GLU 29 Cb 1.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.54 2osq h GLU 29 CO 0.19 0.00 -1.22 -0.89 -1.16 0.00 0.00 179.01 175.94 2osq n ILE 30 N -2.85 1.49 1.95 3.13 5.41 0.57 -4.40 119.36 124.66 2osq n ILE 30 Ca 0.01 0.04 0.16 0.00 1.00 0.00 0.00 62.75 63.95 2osq n ILE 30 Cb 0.28 -2.23 0.91 0.00 -0.71 0.00 0.00 39.64 37.89 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 -4.45 0.00 0.36 1.39 3.01 -0.19 -4.10 117.46 113.47 2osq n PHE 31 Ca -0.22 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.07 2osq n PHE 31 Cb 0.55 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.94 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 -1.17 -5.63 1.37 0.00 -0.17 -3.25 103.07 99.21 2osq h GLY 32 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 47.33 47.45 2osq h GLY 32 CO 0.00 -0.40 2.38 -1.55 0.00 0.00 0.00 176.54 176.98 2osq n PRO 33 N -5.00 1.76 0.00 4.80 -0.04 -1.26 -3.12 135.00 132.15 2osq n PRO 33 Ca -0.12 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2osq n PRO 33 Cb 0.42 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 4.69 -0.24 0.00 0.54 3.72 -1.22 -5.09 117.46 119.84 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 0.15 0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 0.26 -0.56 3.57 1.37 0.00 -1.18 -4.65 105.19 103.99 2osq n GLY 35 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 2.53 -0.13 1.61 0.04 -1.26 -4.88 135.00 130.91 2osq s PRO 36 Ca 0.00 -0.66 -0.29 0.00 0.04 0.00 0.00 61.00 60.09 2osq s PRO 36 Cb 0.00 -5.14 -0.06 0.00 0.04 0.00 0.00 34.50 29.34 2osq s PRO 36 CO 0.00 -3.64 2.05 0.00 0.04 0.00 0.00 177.00 175.45 2osq s MET 37 N 6.78 3.57 0.17 4.56 0.23 -1.26 -1.17 119.30 132.18 2osq s MET 37 Ca 0.69 2.17 -0.11 0.00 -1.03 0.00 0.00 55.69 57.41 2osq s MET 37 Cb -0.04 -4.25 0.07 0.00 -1.53 0.00 0.00 34.83 29.07 2osq s MET 37 CO 0.05 -1.60 1.70 -0.22 -2.03 0.00 0.00 175.02 172.92 2osq h LYS 38 N 12.93 0.94 -3.15 3.16 1.63 -1.18 -3.44 116.57 127.45 2osq h LYS 38 Ca -0.43 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.18 2osq h LYS 38 Cb 1.23 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.64 2osq h LYS 38 CO 0.96 0.84 0.14 -2.00 -3.45 0.00 0.00 179.45 175.94 2osq s GLU 39 N -5.39 1.56 -0.18 1.90 2.12 -0.24 -4.99 118.70 113.49 2osq s GLU 39 Ca -0.13 -0.89 -0.09 0.00 0.36 0.00 0.00 54.97 54.22 2osq s GLU 39 Cb 0.13 0.57 0.06 0.00 0.26 0.00 0.00 34.13 35.15 2osq s GLU 39 CO 0.81 -0.69 0.42 0.14 -0.54 0.00 0.00 175.26 175.41 2osq s VAL 40 N -3.89 -0.08 -0.10 3.70 -7.23 -1.26 -0.90 120.40 110.65 2osq s VAL 40 Ca 0.10 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 2osq s VAL 40 Cb -0.03 -0.63 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2osq s VAL 40 CO 0.01 0.04 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.15 2osq s LYS 41 N 1.52 3.03 -0.21 4.82 -0.14 0.12 -4.99 119.74 123.90 2osq s LYS 41 Ca -0.09 -0.71 -0.02 0.00 -1.36 0.00 0.00 55.97 53.79 2osq s LYS 41 Cb -0.09 -2.50 0.06 0.00 -1.68 0.00 0.00 37.83 33.62 2osq s LYS 41 CO -0.13 0.36 0.03 0.42 -0.76 0.00 0.00 175.35 175.26 2osq s ILE 42 N -0.03 0.65 0.07 2.17 1.09 -1.26 0.15 121.20 124.04 2osq s ILE 42 Ca -0.04 -0.69 0.08 0.00 -1.10 0.00 0.00 60.65 58.91 2osq s ILE 42 Cb -0.14 -1.16 -0.03 0.00 -1.06 0.00 0.00 42.46 40.07 2osq s ILE 42 CO 0.04 -0.23 -0.22 -0.76 -0.10 0.00 0.00 174.94 173.67 2osq s LEU 43 N 1.79 2.23 -0.68 2.97 1.43 -0.65 -4.92 118.68 120.85 2osq s LEU 43 Ca -0.01 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.22 2osq s LEU 43 Cb -0.17 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 2osq s LEU 43 CO -0.09 0.13 2.32 0.21 0.23 0.00 0.00 176.35 179.15 2osq s ASN 44 N -1.54 4.32 0.00 2.29 3.84 -1.26 -1.24 114.94 121.34 2osq s ASN 44 Ca 0.08 0.38 0.00 0.00 0.21 0.00 0.00 52.86 53.53 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 0.03 -3.29 0.00 0.61 -2.79 0.00 0.00 177.10 171.66 2osq n GLY 45 N 6.43 1.29 3.57 1.21 0.00 -1.26 -5.09 105.19 111.34 2osq n GLY 45 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.45 -0.44 0.18 1.61 -0.12 -0.37 -4.03 117.98 114.35 2osq s PHE 46 Ca 0.00 0.77 0.09 0.00 -0.05 0.00 0.00 56.93 57.74 2osq s PHE 46 Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2osq s PHE 46 CO 0.00 -0.39 -0.19 0.00 -0.05 0.00 0.00 175.22 174.59 2osq s ALA 47 N -1.06 2.12 -0.03 1.99 0.00 -0.87 -1.64 121.76 122.27 2osq s ALA 47 Ca -0.03 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.30 2osq s ALA 47 Cb -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2osq s ALA 47 CO 0.03 0.24 0.17 -0.06 0.00 0.00 0.00 175.76 176.15 2osq s PHE 48 N -2.13 -0.07 -0.09 0.00 0.08 0.12 0.08 117.98 115.96 2osq s PHE 48 Ca 0.18 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.35 2osq s PHE 48 Cb -0.05 0.01 0.05 0.00 -0.57 0.00 0.00 43.02 42.45 2osq s PHE 48 CO 0.08 -0.22 0.15 0.54 -0.10 0.00 0.00 175.22 175.66 2osq s VAL 49 N -0.79 -0.24 -0.36 -0.44 0.11 0.22 0.13 120.40 119.03 2osq s VAL 49 Ca -0.09 0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2osq s VAL 49 Cb -0.05 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2osq s VAL 49 CO 0.01 0.10 0.17 -0.70 -3.33 0.00 0.00 175.10 171.36 2osq s GLU 50 N 2.27 2.78 0.30 1.54 2.12 -0.07 -0.55 118.70 127.10 2osq s GLU 50 Ca 0.04 -1.10 -0.18 0.00 0.36 0.00 0.00 54.97 54.09 2osq s GLU 50 Cb -0.12 -3.64 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 2osq s GLU 50 CO -0.06 -0.68 0.77 -0.06 -0.54 0.00 0.00 175.26 174.69 2osq s PHE 51 N 1.51 3.47 -2.00 5.30 0.08 -1.26 -0.75 117.98 124.32 2osq s PHE 51 Ca 0.01 1.34 0.26 0.00 0.12 0.00 0.00 56.93 58.67 2osq s PHE 51 Cb -0.19 -2.62 1.56 0.00 -0.57 0.00 0.00 43.02 41.21 2osq s PHE 51 CO 0.05 0.15 1.95 -1.91 -0.10 0.00 0.00 175.22 175.37 2osq n GLU 52 N -0.00 0.89 -3.70 0.44 4.07 -0.32 -4.54 120.64 117.48 2osq n GLU 52 Ca 0.02 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.95 2osq n GLU 52 Cb 0.52 -1.46 -0.16 0.00 -0.06 0.00 0.00 31.44 30.28 2osq n GLU 52 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2osq s GLU 53 N -2.00 -0.02 0.43 5.31 0.41 -1.26 -4.99 118.70 116.59 2osq s GLU 53 Ca 0.39 0.38 0.20 0.00 -0.41 0.00 0.00 54.97 55.54 2osq s GLU 53 Cb 0.18 -0.34 1.15 0.00 -1.78 0.00 0.00 34.13 33.34 2osq s GLU 53 CO 0.30 -0.26 1.84 0.00 -0.49 0.00 0.00 175.26 176.65 2osq h ALA 54 N 7.98 2.31 0.25 5.21 0.00 -1.82 -1.12 119.26 132.07 2osq h ALA 54 Ca -0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2osq h ALA 54 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2osq h ALA 54 CO 0.26 -0.62 -0.12 1.49 0.00 0.00 0.00 179.25 180.27 2osq h GLU 55 N 0.34 -0.32 -0.95 0.00 4.81 -1.95 0.21 114.58 116.71 2osq h GLU 55 Ca 0.49 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.82 2osq h GLU 55 Cb 1.33 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.71 2osq h GLU 55 CO -0.17 -0.13 0.60 1.03 -0.73 0.00 0.00 179.01 179.61 2osq h SER 56 N -0.45 0.95 0.22 1.04 0.87 -1.49 -0.30 113.55 114.38 2osq h SER 56 Ca -0.03 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2osq h SER 56 Cb 0.34 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2osq h SER 56 CO 0.06 0.58 -0.11 0.00 -0.53 0.00 0.00 176.83 176.84 2osq h ALA 57 N 1.45 -0.29 -0.73 6.23 0.00 -1.21 0.27 119.26 124.99 2osq h ALA 57 Ca 0.43 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.29 2osq h ALA 57 Cb 0.23 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2osq h ALA 57 CO -0.19 -0.45 0.49 0.00 0.00 0.00 0.00 179.25 179.10 2osq h ALA 58 N -0.12 2.23 0.05 0.00 0.00 -0.33 -0.62 119.26 120.47 2osq h ALA 58 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2osq h ALA 58 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2osq h ALA 58 CO 0.05 -0.43 -0.02 0.87 0.00 0.00 0.00 179.25 179.72 2osq h LYS 59 N 0.32 -0.06 -0.88 0.00 1.79 -0.99 -3.24 116.57 113.50 2osq h LYS 59 Ca 0.36 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.06 2osq h LYS 59 Cb 0.94 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.55 2osq h LYS 59 CO -0.09 0.50 0.61 0.00 -1.08 0.00 0.00 179.45 179.38 2osq h ALA 60 N -0.34 2.49 -0.65 3.86 0.00 -0.48 0.42 119.26 124.57 2osq h ALA 60 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2osq h ALA 60 Cb 0.59 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2osq h ALA 60 CO 0.01 -0.76 0.10 0.82 0.00 0.00 0.00 179.25 179.41 2osq h ILE 61 N 0.21 1.26 0.00 0.00 2.04 -1.20 0.33 117.51 120.16 2osq h ILE 61 Ca 0.45 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.27 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 -0.10 0.39 -0.54 -0.62 0.00 0.00 0.00 178.15 177.28 2osq n GLU 62 N -4.21 0.03 -0.06 2.37 1.02 0.43 -3.29 120.64 116.93 2osq n GLU 62 Ca 0.04 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 2osq n GLU 62 Cb 0.29 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 2osq n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2osq n GLU 63 N -1.57 0.36 -0.35 3.49 -0.58 0.12 -4.51 120.64 117.60 2osq n GLU 63 Ca 0.05 0.34 0.01 0.00 -0.42 0.00 0.00 57.16 57.14 2osq n GLU 63 Cb 0.35 -1.35 0.16 0.00 -0.57 0.00 0.00 31.44 30.03 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 -0.74 1.09 -2.13 2.62 2.07 -0.55 -3.40 116.25 115.21 2osq h VAL 64 Ca 0.00 -0.39 -0.59 0.00 0.82 0.00 0.00 66.70 66.54 2osq h VAL 64 Cb 0.52 -0.14 0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2osq h VAL 64 CO 0.00 0.21 1.13 1.57 0.02 0.00 0.00 177.57 180.50 2osq n HIS 65 N -4.53 2.39 -0.38 1.57 -0.00 -1.21 -0.66 115.22 112.41 2osq n HIS 65 Ca 0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2osq n HIS 65 Cb 0.16 -2.70 0.00 0.00 -0.00 0.00 0.00 29.99 27.45 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 4.43 0.78 2.43 1.57 0.00 -0.83 -4.91 105.19 108.64 2osq n GLY 66 Ca 0.22 0.00 -0.19 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 -2.27 -0.91 -5.22 1.61 4.76 0.17 -4.72 118.16 111.59 2osq n LYS 67 Ca 0.00 -1.29 -0.31 0.00 -2.87 0.00 0.00 58.31 53.84 2osq n LYS 67 Cb 0.00 -0.88 -0.16 0.00 -1.84 0.00 0.00 35.03 32.16 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 -4.04 3.24 -0.29 4.39 1.04 -1.26 -0.09 113.70 116.69 2osq s SER 68 Ca 0.48 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 56.27 2osq s SER 68 Cb -0.01 -0.52 0.16 0.00 0.10 0.00 0.00 66.02 65.75 2osq s SER 68 CO 0.33 0.31 1.15 0.12 0.98 0.00 0.00 173.24 176.13 2osq s PHE 69 N -0.56 -0.35 -1.63 5.02 2.19 -0.41 -4.87 117.98 117.38 2osq s PHE 69 Ca 0.08 0.78 -0.04 0.00 0.33 0.00 0.00 56.93 58.09 2osq s PHE 69 Cb -0.11 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 41.95 2osq s PHE 69 CO -0.00 -0.17 0.47 0.00 1.83 0.00 0.00 175.22 177.34 2osq n ALA 70 N 2.56 -0.89 -3.42 11.12 0.00 -1.26 -1.74 120.51 126.89 2osq n ALA 70 Ca -0.14 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 2osq n ALA 70 Cb 0.57 -3.52 0.07 0.00 0.00 0.00 0.00 19.45 16.57 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 -2.41 -6.31 -3.51 0.00 3.02 -1.26 -4.98 115.26 99.81 2osq n ASN 71 Ca -0.15 -0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 53.77 2osq n ASN 71 Cb 0.64 -4.99 -0.05 0.00 -0.61 0.00 0.00 39.78 34.77 2osq n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2osq s GLN 72 N -6.13 1.08 -0.04 3.52 -2.07 -0.71 -5.14 119.66 110.18 2osq s GLN 72 Ca 0.50 0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.90 2osq s GLN 72 Cb -0.22 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.16 2osq s GLN 72 CO 0.62 -0.36 1.48 -1.25 -1.32 0.00 0.00 175.29 174.46 2osq s PRO 73 N -1.54 4.23 0.79 9.60 0.04 -1.26 -1.28 135.00 145.57 2osq s PRO 73 Ca -0.09 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2osq s PRO 73 Cb -0.00 -3.75 0.06 0.00 0.04 0.00 0.00 34.50 30.85 2osq s PRO 73 CO 0.07 -0.70 1.11 -0.51 0.04 0.00 0.00 177.00 177.00 2osq s LEU 74 N 3.16 2.61 -0.17 -3.56 1.43 0.87 -4.93 118.68 118.09 2osq s LEU 74 Ca 0.66 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 2osq s LEU 74 Cb -0.31 -3.83 0.06 0.00 0.03 0.00 0.00 46.19 42.15 2osq s LEU 74 CO 0.26 -1.86 0.40 -0.70 0.23 0.00 0.00 176.35 174.68 2osq s GLU 75 N -5.24 0.37 -0.00 1.70 2.12 -1.26 -1.97 118.70 114.41 2osq s GLU 75 Ca 0.60 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.77 2osq s GLU 75 Cb -0.13 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.29 2osq s GLU 75 CO 0.53 -0.18 -0.03 0.08 -0.54 0.00 0.00 175.26 175.12 2osq s VAL 76 N 1.63 0.24 0.23 3.70 1.01 -1.26 -1.85 120.40 124.11 2osq s VAL 76 Ca -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2osq s VAL 76 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2osq s VAL 76 CO -0.13 0.05 0.20 0.68 0.00 0.00 0.00 175.10 175.91 2osq s VAL 77 N -0.11 0.00 -0.64 2.92 -7.23 -0.53 -4.60 120.40 110.21 2osq s VAL 77 Ca 0.01 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 2osq s VAL 77 Cb -0.01 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2osq s VAL 77 CO -0.00 0.00 1.83 -0.31 -0.31 0.00 0.00 175.10 176.31 2osq s TYR 78 N -3.98 1.71 -0.05 2.82 2.02 -1.26 0.29 117.35 118.90 2osq s TYR 78 Ca 0.38 0.72 -0.37 0.00 -0.37 0.00 0.00 57.07 57.43 2osq s TYR 78 Cb 0.05 -4.12 -0.15 0.00 -0.40 0.00 0.00 41.96 37.34 2osq s TYR 78 CO 0.15 -2.26 1.65 0.45 -1.57 0.00 0.00 175.55 173.97 2osq n SER 79 N 12.60 2.61 -0.64 2.29 2.88 0.89 -4.59 113.62 129.66 2osq n SER 79 Ca 0.20 1.06 0.08 0.00 -1.33 0.00 0.00 58.87 58.89 2osq n SER 79 Cb 0.52 -1.27 0.07 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