#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqh n PRO 2 N 0.00 1.19 -2.19 -1.58 -0.02 -1.26 -4.92 135.00 126.23 1bqh n PRO 2 Ca 0.00 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 1bqh n PRO 2 Cb 0.00 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1bqh n PRO 2 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1bqh s GLN 3 N -1.95 3.45 -0.29 -0.52 -2.07 -1.26 -5.05 119.66 111.98 1bqh s GLN 3 Ca 0.64 1.26 -0.09 0.00 -1.82 0.00 0.00 55.36 55.34 1bqh s GLN 3 Cb -0.57 -2.05 -0.02 0.00 -1.09 0.00 0.00 33.01 29.28 1bqh s GLN 3 CO 0.57 -0.71 0.13 0.00 -1.32 0.00 0.00 175.29 173.96 1bqh s ALA 4 N -2.30 3.28 0.60 2.60 0.00 -1.26 -5.03 121.76 119.64 1bqh s ALA 4 Ca 0.65 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1bqh s ALA 4 Cb -0.16 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1bqh s ALA 4 CO 0.32 -0.73 1.33 -2.14 0.00 0.00 0.00 175.76 174.54 1bqh s PRO 5 N 1.64 2.84 -0.14 0.00 0.01 -1.26 -4.99 135.00 133.10 1bqh s PRO 5 Ca 0.05 2.16 -0.01 0.00 0.01 0.00 0.00 61.00 63.22 1bqh s PRO 5 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 34.50 32.28 1bqh s PRO 5 CO 0.06 -1.40 -0.12 -1.83 0.01 0.00 0.00 177.00 173.72 1bqh s GLU 6 N -3.14 3.39 0.09 5.54 -1.05 -1.23 -4.98 118.70 117.33 1bqh s GLU 6 Ca 0.77 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1bqh s GLU 6 Cb -0.39 -2.67 -0.04 0.00 -0.44 0.00 0.00 34.13 30.59 1bqh s GLU 6 CO 0.44 0.18 0.24 -0.51 0.95 0.00 0.00 175.26 176.57 1bqh s LEU 7 N 0.44 4.35 -0.31 1.83 1.02 -1.26 -2.28 118.68 122.46 1bqh s LEU 7 Ca -0.09 0.26 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 1bqh s LEU 7 Cb -0.16 -2.97 0.10 0.00 0.02 0.00 0.00 46.19 43.18 1bqh s LEU 7 CO 0.05 0.12 0.10 -0.13 0.02 0.00 0.00 176.35 176.51 1bqh s ARG 8 N -2.74 0.70 0.20 1.70 0.52 -0.22 -4.88 118.95 114.23 1bqh s ARG 8 Ca 0.35 -1.08 -0.27 0.00 -0.52 0.00 0.00 55.73 54.22 1bqh s ARG 8 Cb -0.12 -1.95 -0.08 0.00 0.52 0.00 0.00 34.95 33.31 1bqh s ARG 8 CO 0.28 -1.00 0.85 0.96 0.02 0.00 0.00 175.30 176.41 1bqh s ILE 9 N 1.60 4.25 -0.13 1.52 -5.25 -1.26 -0.91 121.20 121.02 1bqh s ILE 9 Ca 0.10 1.85 -0.06 0.00 -0.99 0.00 0.00 60.65 61.55 1bqh s ILE 9 Cb -0.17 -4.20 0.05 0.00 2.95 0.00 0.00 42.46 41.09 1bqh s ILE 9 CO -0.25 0.49 0.30 -0.36 -1.79 0.00 0.00 174.94 173.33 1bqh s PHE 10 N -1.19 -0.43 0.90 1.37 0.08 -0.15 -4.30 117.98 114.27 1bqh s PHE 10 Ca 0.39 0.97 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 1bqh s PHE 10 Cb -0.24 0.10 0.13 0.00 -0.57 0.00 0.00 43.02 42.45 1bqh s PHE 10 CO 0.28 -0.29 1.10 -1.25 -0.10 0.00 0.00 175.22 174.97 1bqh s PRO 11 N 1.49 1.22 -0.11 0.24 0.05 -1.26 -0.93 135.00 135.70 1bqh s PRO 11 Ca -0.08 0.61 0.13 0.00 0.05 0.00 0.00 61.00 61.71 1bqh s PRO 11 Cb -0.10 -1.82 0.57 0.00 0.05 0.00 0.00 34.50 33.20 1bqh s PRO 11 CO -0.10 -2.21 1.44 0.36 0.05 0.00 0.00 177.00 176.54 1bqh n LYS 12 N -3.83 3.30 0.00 4.56 2.85 -1.26 -4.85 118.16 118.93 1bqh n LYS 12 Ca 0.06 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 1bqh n LYS 12 Cb 0.57 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 1bqh n LYS 12 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1bqh n LYS 13 N 0.76 0.00 -3.34 -1.58 4.81 -1.26 -4.65 118.16 112.90 1bqh n LYS 13 Ca 0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.52 1bqh n LYS 13 Cb 0.77 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.75 1bqh n LYS 13 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1bqh s MET 14 N -0.62 0.43 -0.68 1.64 1.75 -0.83 -5.00 119.30 115.99 1bqh s MET 14 Ca 0.00 -0.12 -0.22 0.00 -1.25 0.00 0.00 55.69 54.10 1bqh s MET 14 Cb 0.00 -0.46 0.08 0.00 2.84 0.00 0.00 34.83 37.29 1bqh s MET 14 CO 0.00 -1.06 0.96 -0.51 -0.65 0.00 0.00 175.02 173.76 1bqh s ASP 15 N 2.30 6.22 0.45 1.11 1.01 -1.26 -3.47 116.67 123.03 1bqh s ASP 15 Ca 0.11 -1.15 0.08 0.00 0.71 0.00 0.00 52.55 52.30 1bqh s ASP 15 Cb -0.13 -2.41 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1bqh s ASP 15 CO -0.26 -1.37 0.62 0.00 0.21 0.00 0.00 175.17 174.36 1bqh s ALA 16 N 3.80 4.57 0.35 5.23 0.00 -0.45 -4.96 121.76 130.30 1bqh s ALA 16 Ca 0.22 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.50 1bqh s ALA 16 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1bqh s ALA 16 CO 0.08 -0.40 0.17 -1.21 0.00 0.00 0.00 175.76 174.40 1bqh s GLU 17 N -4.42 2.39 0.29 0.00 2.02 -1.26 -3.90 118.70 113.82 1bqh s GLU 17 Ca 0.56 -1.56 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 1bqh s GLU 17 Cb -0.09 -2.19 -0.13 0.00 0.10 0.00 0.00 34.13 31.82 1bqh s GLU 17 CO 0.34 0.06 1.30 1.28 0.02 0.00 0.00 175.26 178.27 1bqh n LEU 18 N -1.20 3.12 -1.14 1.80 4.77 -1.26 -2.10 117.00 120.99 1bqh n LEU 18 Ca -0.02 1.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.98 1bqh n LEU 18 Cb 0.62 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1bqh n LEU 18 CO 0.43 -0.61 -0.14 0.61 -1.33 0.00 0.00 177.39 176.35 1bqh n GLY 19 N 1.41 1.51 3.84 -0.72 0.00 0.21 -4.92 105.19 106.52 1bqh n GLY 19 Ca 0.08 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1bqh n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bqh s GLN 20 N -3.22 4.08 -0.44 1.61 0.74 -0.89 -4.48 119.66 117.05 1bqh s GLN 20 Ca 0.00 0.83 -0.17 0.00 0.05 0.00 0.00 55.36 56.08 1bqh s GLN 20 Cb 0.00 -2.33 0.04 0.00 1.10 0.00 0.00 33.01 31.81 1bqh s GLN 20 CO 0.00 0.08 0.43 -1.59 -0.55 0.00 0.00 175.29 173.65 1bqh s LYS 21 N -3.09 3.05 -0.19 1.67 -2.85 -1.26 0.36 119.74 117.43 1bqh s LYS 21 Ca 0.57 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 1bqh s LYS 21 Cb -0.10 -4.03 -0.04 0.00 -2.06 0.00 0.00 37.83 31.61 1bqh s LYS 21 CO 0.16 -0.92 0.06 0.08 0.10 0.00 0.00 175.35 174.83 1bqh s VAL 22 N 2.00 4.71 -0.33 1.79 1.01 -0.73 -4.92 120.40 123.93 1bqh s VAL 22 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1bqh s VAL 22 Cb -0.19 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1bqh s VAL 22 CO 0.11 0.45 0.16 -1.81 0.00 0.00 0.00 175.10 174.01 1bqh s ASP 23 N 0.47 5.53 -0.21 3.32 1.11 -1.26 0.75 116.67 126.38 1bqh s ASP 23 Ca 0.03 -0.76 -0.06 0.00 0.18 0.00 0.00 52.55 51.94 1bqh s ASP 23 Cb -0.13 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 41.86 1bqh s ASP 23 CO 0.01 -0.27 0.02 -0.76 1.18 0.00 0.00 175.17 175.34 1bqh s LEU 24 N 1.56 3.33 -0.05 1.23 1.02 0.10 -4.42 118.68 121.45 1bqh s LEU 24 Ca 0.03 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.05 1bqh s LEU 24 Cb -0.18 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.16 1bqh s LEU 24 CO 0.06 0.06 -0.19 -0.69 0.02 0.00 0.00 176.35 175.60 1bqh s VAL 25 N 1.05 2.62 -0.24 -1.59 1.01 -0.11 0.39 120.40 123.54 1bqh s VAL 25 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1bqh s VAL 25 Cb -0.14 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1bqh s VAL 25 CO 0.02 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 175.57 1bqh s GLU 27 N 1.19 3.59 0.07 0.00 2.12 -0.09 -1.46 118.70 124.13 1bqh s GLU 27 Ca -0.05 -0.44 -0.15 0.00 0.36 0.00 0.00 54.97 54.69 1bqh s GLU 27 Cb -0.18 -3.79 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 1bqh s GLU 27 CO -0.07 -0.47 0.48 0.08 -0.54 0.00 0.00 175.26 174.73 1bqh s VAL 28 N 1.94 4.94 -0.07 3.70 1.01 -0.22 -1.06 120.40 130.63 1bqh s VAL 28 Ca 0.10 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.97 1bqh s VAL 28 Cb -0.17 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1bqh s VAL 28 CO 0.11 0.43 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 1bqh s LEU 29 N -1.48 1.98 0.00 3.92 1.43 -0.97 -4.63 118.68 118.94 1bqh s LEU 29 Ca 0.30 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1bqh s LEU 29 Cb -0.16 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1bqh s LEU 29 CO 0.17 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1bqh n GLY 30 N 3.30 1.54 0.53 -3.19 0.00 -1.26 -3.49 105.19 102.62 1bqh n GLY 30 Ca -0.19 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 43.82 1bqh n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bqh n SER 31 N 0.00 2.99 -1.37 1.61 3.41 -1.26 -4.57 113.62 114.44 1bqh n SER 31 Ca 0.00 -2.49 0.06 0.00 -0.26 0.00 0.00 58.87 56.19 1bqh n SER 31 Cb 0.00 -0.32 0.28 0.00 -0.26 0.00 0.00 64.21 63.91 1bqh n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1bqh n VAL 32 N -0.27 1.63 -4.05 -3.33 0.24 -1.26 -4.91 118.33 106.37 1bqh n VAL 32 Ca 0.13 -0.93 -0.13 0.00 -2.04 0.00 0.00 64.34 61.37 1bqh n VAL 32 Cb 0.58 -0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1bqh n VAL 32 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1bqh s SER 33 N -0.70 0.64 -0.23 -1.34 0.15 -1.26 -4.46 113.70 106.50 1bqh s SER 33 Ca 0.39 -1.36 -0.27 0.00 0.70 0.00 0.00 55.95 55.41 1bqh s SER 33 Cb 0.27 0.66 0.14 0.00 -1.71 0.00 0.00 66.02 65.37 1bqh s SER 33 CO 0.16 -1.29 1.08 0.00 1.20 0.00 0.00 173.24 174.39 1bqh s GLN 34 N -3.20 0.47 0.26 5.44 -2.07 -1.26 -5.08 119.66 114.21 1bqh s GLN 34 Ca 0.28 0.32 0.00 0.00 -1.82 0.00 0.00 55.36 54.14 1bqh s GLN 34 Cb -0.01 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 1bqh s GLN 34 CO 0.17 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.45 1bqh n GLY 35 N 1.43 -3.01 2.93 2.60 0.00 -1.26 -4.76 105.19 103.12 1bqh n GLY 35 Ca -0.10 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1bqh n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqh s SER 37 N -0.45 4.23 -0.16 0.00 0.01 -0.63 -0.87 113.70 115.84 1bqh s SER 37 Ca -0.03 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1bqh s SER 37 Cb -0.03 -0.87 0.01 0.00 0.21 0.00 0.00 66.02 65.33 1bqh s SER 37 CO -0.00 0.28 -0.18 0.26 0.41 0.00 0.00 173.24 174.01 1bqh s TRP 38 N -0.93 2.74 0.29 2.43 0.52 -0.50 -0.92 118.94 122.57 1bqh s TRP 38 Ca 0.15 -1.25 0.10 0.00 0.02 0.00 0.00 56.10 55.12 1bqh s TRP 38 Cb -0.11 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 1bqh s TRP 38 CO 0.06 -0.59 -0.06 -0.51 0.02 0.00 0.00 176.95 175.87 1bqh s LEU 39 N 0.91 2.94 -0.14 2.99 1.43 0.14 -1.37 118.68 125.58 1bqh s LEU 39 Ca -0.04 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1bqh s LEU 39 Cb -0.15 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1bqh s LEU 39 CO -0.03 -0.06 0.34 0.12 0.23 0.00 0.00 176.35 176.95 1bqh s PHE 40 N -2.44 -0.48 -0.38 0.29 5.36 -0.16 -1.88 117.98 118.29 1bqh s PHE 40 Ca 0.32 1.06 -0.05 0.00 -0.96 0.00 0.00 56.93 57.30 1bqh s PHE 40 Cb -0.04 0.17 0.08 0.00 -0.34 0.00 0.00 43.02 42.89 1bqh s PHE 40 CO 0.18 -0.29 0.16 -1.14 -1.46 0.00 0.00 175.22 172.68 1bqh s GLN 41 N 1.25 2.36 0.19 10.12 0.74 0.13 -1.08 119.66 133.36 1bqh s GLN 41 Ca -0.09 -1.51 -0.33 0.00 0.05 0.00 0.00 55.36 53.49 1bqh s GLN 41 Cb -0.09 -3.54 -0.15 0.00 1.10 0.00 0.00 33.01 30.33 1bqh s GLN 41 CO -0.10 -0.89 1.30 -1.71 -0.55 0.00 0.00 175.29 173.34 1bqh n ASN 42 N 4.73 2.03 -1.59 6.67 2.85 -1.26 -0.77 115.26 127.91 1bqh n ASN 42 Ca -0.08 1.14 -0.04 0.00 -0.11 0.00 0.00 54.58 55.49 1bqh n ASN 42 Cb 0.43 -1.31 0.01 0.00 1.24 0.00 0.00 39.78 40.15 1bqh n ASN 42 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1bqh n SER 43 N 2.22 5.60 0.00 1.20 2.88 -0.79 -2.57 113.62 122.16 1bqh n SER 43 Ca 0.14 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1bqh n SER 43 Cb 0.27 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1bqh n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1bqh n SER 44 N 1.25 0.00 -4.63 -3.46 3.41 -1.26 -4.94 113.62 103.98 1bqh n SER 44 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1bqh n SER 44 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1bqh n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bqh s SER 45 N -0.68 6.47 0.00 4.04 0.15 -1.06 -5.00 113.70 117.63 1bqh s SER 45 Ca 0.00 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1bqh s SER 45 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1bqh s SER 45 CO 0.00 -1.20 0.00 0.29 1.20 0.00 0.00 173.24 173.53 1bqh n LYS 46 N 7.55 0.00 -1.80 5.44 4.01 -1.26 -4.57 118.16 127.54 1bqh n LYS 46 Ca 0.17 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.67 1bqh n LYS 46 Cb 0.46 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 35.01 1bqh n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bqh s LEU 47 N 0.00 3.12 -0.78 -0.35 1.43 -1.26 -4.88 118.68 115.96 1bqh s LEU 47 Ca 0.00 1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 1bqh s LEU 47 Cb 0.00 -4.35 -0.16 0.00 0.03 0.00 0.00 46.19 41.71 1bqh s LEU 47 CO 0.00 -1.13 2.50 -0.81 0.23 0.00 0.00 176.35 177.15 1bqh n PRO 48 N -2.91 0.47 -3.96 1.29 -0.04 -1.26 -4.91 135.00 123.68 1bqh n PRO 48 Ca 0.07 -0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.13 1bqh n PRO 48 Cb 0.55 -2.45 -0.15 0.00 -0.04 0.00 0.00 33.50 31.41 1bqh n PRO 48 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1bqh s GLN 49 N 8.51 1.60 0.78 0.54 2.00 -1.26 -5.12 119.66 126.72 1bqh s GLN 49 Ca 1.16 -2.11 -0.12 0.00 -2.00 0.00 0.00 55.36 52.30 1bqh s GLN 49 Cb -0.67 -3.14 0.07 0.00 0.80 0.00 0.00 33.01 30.07 1bqh s GLN 49 CO 0.36 -1.01 1.12 -2.14 -0.50 0.00 0.00 175.29 173.12 1bqh s PRO 50 N 0.49 2.03 -0.04 1.67 0.02 -1.26 -4.40 135.00 133.52 1bqh s PRO 50 Ca 0.13 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 62.49 1bqh s PRO 50 Cb -0.22 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.47 1bqh s PRO 50 CO -0.06 -1.84 0.08 0.99 -0.33 0.00 0.00 177.00 175.84 1bqh s THR 51 N -2.67 -0.05 0.07 0.99 2.01 -0.24 -4.94 115.64 110.81 1bqh s THR 51 Ca 0.65 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 1bqh s THR 51 Cb -0.20 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1bqh s THR 51 CO 0.53 0.07 1.13 0.12 -0.69 0.00 0.00 174.62 175.78 1bqh s PHE 52 N 0.95 3.51 -0.01 4.92 5.36 -1.26 -0.99 117.98 130.46 1bqh s PHE 52 Ca -0.08 1.44 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 1bqh s PHE 52 Cb -0.10 -3.33 -0.00 0.00 -0.34 0.00 0.00 43.02 39.24 1bqh s PHE 52 CO -0.04 -0.88 -0.02 0.28 -1.46 0.00 0.00 175.22 173.10 1bqh n VAL 53 N 3.66 0.08 -3.82 3.12 0.31 -0.47 -4.65 118.33 116.57 1bqh n VAL 53 Ca 0.07 0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 64.70 1bqh n VAL 53 Cb 0.47 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.84 1bqh n VAL 53 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bqh s VAL 54 N -1.10 0.08 -0.06 2.52 0.11 -1.23 -1.73 120.40 118.99 1bqh s VAL 54 Ca -0.01 -0.67 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 1bqh s VAL 54 Cb 0.00 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1bqh s VAL 54 CO 0.02 -0.37 -0.22 -0.47 -3.33 0.00 0.00 175.10 170.73 1bqh s TYR 55 N -1.76 2.21 -0.13 1.54 5.04 -0.18 -1.41 117.35 122.66 1bqh s TYR 55 Ca -0.11 -0.69 -0.00 0.00 -2.44 0.00 0.00 57.07 53.82 1bqh s TYR 55 Cb -0.05 -1.47 0.03 0.00 0.35 0.00 0.00 41.96 40.83 1bqh s TYR 55 CO 0.01 -0.23 -0.08 -1.64 -1.34 0.00 0.00 175.55 172.27 1bqh s MET 56 N -0.01 1.63 0.71 4.97 -1.94 -0.05 -2.02 119.30 122.59 1bqh s MET 56 Ca -0.06 -0.37 -0.13 0.00 -1.71 0.00 0.00 55.69 53.42 1bqh s MET 56 Cb -0.14 -1.77 0.02 0.00 2.01 0.00 0.00 34.83 34.96 1bqh s MET 56 CO 0.04 -0.30 1.11 0.00 -0.01 0.00 0.00 175.02 175.85 1bqh s ALA 57 N 1.65 2.37 -0.44 3.03 0.00 -1.26 0.06 121.76 127.18 1bqh s ALA 57 Ca 0.04 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1bqh s ALA 57 Cb -0.13 -3.31 0.47 0.00 0.00 0.00 0.00 23.12 20.15 1bqh s ALA 57 CO -0.08 -1.50 1.87 -1.13 0.00 0.00 0.00 175.76 174.91 1bqh n SER 58 N -2.87 5.11 0.00 0.00 3.41 -1.26 -4.48 113.62 113.54 1bqh n SER 58 Ca 0.10 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 1bqh n SER 58 Cb 0.52 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1bqh n SER 58 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bqh n SER 59 N -0.69 0.00 -4.91 4.04 3.41 -1.26 -4.86 113.62 109.35 1bqh n SER 59 Ca 0.50 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 1bqh n SER 59 Cb 1.12 0.25 0.03 0.00 -0.26 0.00 0.00 64.21 65.35 1bqh n SER 59 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1bqh s HIS 60 N -0.93 3.33 -1.67 7.33 0.00 -1.26 -4.97 115.29 117.11 1bqh s HIS 60 Ca 0.00 0.73 0.11 0.00 -3.00 0.00 0.00 55.06 52.90 1bqh s HIS 60 Cb 0.00 -2.68 0.37 0.00 -4.00 0.00 0.00 32.58 26.27 1bqh s HIS 60 CO 0.00 -0.74 1.26 0.09 -1.00 0.00 0.00 174.74 174.35 1bqh n ASN 61 N -2.56 2.46 -4.54 7.38 4.13 -1.26 -4.32 115.26 116.55 1bqh n ASN 61 Ca 0.04 -2.12 -0.43 0.00 1.68 0.00 0.00 54.58 53.76 1bqh n ASN 61 Cb 0.57 -0.34 -0.04 0.00 -1.54 0.00 0.00 39.78 38.43 1bqh n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1bqh s LYS 62 N -1.58 3.36 -0.28 3.52 2.36 -1.26 -5.01 119.74 120.85 1bqh s LYS 62 Ca 0.27 -0.15 -0.10 0.00 -2.55 0.00 0.00 55.97 53.44 1bqh s LYS 62 Cb 0.16 -4.06 -0.03 0.00 -1.05 0.00 0.00 37.83 32.85 1bqh s LYS 62 CO 0.16 -1.59 0.15 0.96 1.55 0.00 0.00 175.35 176.57 1bqh s ILE 63 N 4.33 4.80 -0.27 5.43 -0.00 -1.26 -4.15 121.20 130.07 1bqh s ILE 63 Ca 0.34 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.65 60.73 1bqh s ILE 63 Cb -0.11 -3.33 -0.05 0.00 -0.00 0.00 0.00 42.46 38.97 1bqh s ILE 63 CO 0.20 0.20 0.21 0.42 -0.00 0.00 0.00 174.94 175.98 1bqh s THR 64 N 1.67 5.30 0.59 8.37 -4.23 -0.86 -4.95 115.64 121.53 1bqh s THR 64 Ca 0.06 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1bqh s THR 64 Cb -0.16 -3.55 0.11 0.00 1.34 0.00 0.00 72.50 70.24 1bqh s THR 64 CO 0.07 0.25 0.81 0.79 -0.54 0.00 0.00 174.62 176.00 1bqh n TRP 65 N 4.99 -2.74 -3.64 3.99 7.02 -1.26 -1.01 117.44 124.78 1bqh n TRP 65 Ca -0.13 -1.67 -0.37 0.00 -1.02 0.00 0.00 57.50 54.30 1bqh n TRP 65 Cb 0.52 -0.58 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 1bqh n TRP 65 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1bqh s ASP 66 N -4.40 6.54 0.19 -0.99 2.15 -0.70 -4.93 116.67 114.53 1bqh s ASP 66 Ca 0.56 0.64 0.22 0.00 0.43 0.00 0.00 52.55 54.41 1bqh s ASP 66 Cb -0.04 -2.17 0.90 0.00 -0.30 0.00 0.00 42.92 41.31 1bqh s ASP 66 CO 0.37 0.28 1.68 -0.62 -0.17 0.00 0.00 175.17 176.71 1bqh n GLU 67 N 2.45 0.15 -0.21 4.34 1.02 -1.26 0.10 120.64 127.24 1bqh n GLU 67 Ca -0.15 0.34 -0.01 0.00 -0.02 0.00 0.00 57.16 57.32 1bqh n GLU 67 Cb 0.53 -1.77 0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1bqh n GLU 67 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1bqh h LYS 68 N 0.00 0.51 0.00 3.49 3.64 -1.96 -3.30 116.57 118.95 1bqh h LYS 68 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bqh h LYS 68 Cb 0.39 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1bqh h LYS 68 CO 0.00 0.34 0.00 1.28 -2.27 0.00 0.00 179.45 178.80 1bqh n LEU 69 N -4.90 0.10 -3.63 5.20 4.77 -1.21 -5.02 117.00 112.31 1bqh n LEU 69 Ca 0.08 -0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.55 1bqh n LEU 69 Cb 0.22 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1bqh n LEU 69 CO 0.26 0.03 -0.08 -0.46 -1.33 0.00 0.00 177.39 175.80 1bqh n ASN 70 N -0.33 -2.04 0.00 -1.43 6.94 0.28 -1.50 115.26 117.19 1bqh n ASN 70 Ca 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.06 1bqh n ASN 70 Cb 0.03 -1.78 0.00 0.00 -2.36 0.00 0.00 39.78 35.68 1bqh n ASN 70 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1bqh n SER 71 N -2.13 0.00 -0.93 0.53 2.88 -1.26 -4.59 113.62 108.13 1bqh n SER 71 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1bqh n SER 71 Cb 0.49 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1bqh n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bqh n SER 72 N 0.07 -0.23 0.00 -3.46 7.64 -0.56 0.15 113.62 117.23 1bqh n SER 72 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1bqh n SER 72 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1bqh n SER 72 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bqh n LYS 73 N -0.60 0.00 0.14 1.43 5.02 -1.26 -4.87 118.16 118.02 1bqh n LYS 73 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1bqh n LYS 73 Cb 0.11 -1.92 -0.06 0.00 -0.02 0.00 0.00 35.03 33.14 1bqh n LYS 73 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1bqh h LEU 74 N 0.00 -0.55-10.37 -0.35 3.38 1.00 -3.45 115.31 104.96 1bqh h LEU 74 Ca 0.00 0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.57 1bqh h LEU 74 Cb 0.00 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bqh h LEU 74 CO 0.00 -0.30 -0.28 -0.36 0.09 0.00 0.00 178.44 177.59 1bqh s PHE 75 N -6.10 2.55 -0.24 1.13 0.08 -1.21 -3.46 117.98 110.74 1bqh s PHE 75 Ca -0.15 -0.49 -0.24 0.00 0.12 0.00 0.00 56.93 56.17 1bqh s PHE 75 Cb 0.07 -2.27 0.07 0.00 -0.57 0.00 0.00 43.02 40.31 1bqh s PHE 75 CO 0.65 -0.42 0.68 0.45 -0.10 0.00 0.00 175.22 176.48 1bqh s SER 76 N -4.31 -0.70 0.04 1.36 0.15 -0.83 -4.83 113.70 104.59 1bqh s SER 76 Ca 0.53 1.30 -0.09 0.00 0.70 0.00 0.00 55.95 58.39 1bqh s SER 76 Cb -0.07 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1bqh s SER 76 CO 0.32 -0.27 0.18 0.00 1.20 0.00 0.00 173.24 174.66 1bqh s ALA 77 N 0.22 -0.30 0.04 5.45 0.00 -1.26 -0.35 121.76 125.55 1bqh s ALA 77 Ca -0.01 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1bqh s ALA 77 Cb -0.04 0.30 0.09 0.00 0.00 0.00 0.00 23.12 23.47 1bqh s ALA 77 CO 0.02 -0.37 0.84 0.00 0.00 0.00 0.00 175.76 176.24 1bqh s MET 78 N -2.73 0.94 -0.12 0.00 0.23 -0.24 -4.99 119.30 112.39 1bqh s MET 78 Ca -0.04 -0.36 -0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1bqh s MET 78 Cb -0.00 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 1bqh s MET 78 CO -0.05 -0.41 -0.08 -0.98 -2.03 0.00 0.00 175.02 171.47 1bqh s ARG 79 N -3.26 3.25 0.00 3.16 1.70 -1.26 -0.36 118.95 122.18 1bqh s ARG 79 Ca 0.05 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1bqh s ARG 79 Cb -0.01 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 1bqh s ARG 79 CO -0.09 0.38 0.00 -3.47 -1.08 0.00 0.00 175.30 171.04 1bqh n ASP 80 N 3.08 0.00 0.00 -2.89 2.03 0.11 -4.97 116.55 113.91 1bqh n ASP 80 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1bqh n ASP 80 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1bqh n ASP 80 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1bqh n THR 81 N 0.00 0.00 -2.61 5.18 -1.04 -1.26 -4.52 114.28 110.03 1bqh n THR 81 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1bqh n THR 81 Cb 0.00 -0.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.39 1bqh n THR 81 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1bqh s ASN 82 N -2.45 6.77 -1.69 8.00 0.01 -1.26 -4.22 114.94 120.10 1bqh s ASN 82 Ca 0.00 -2.25 -0.00 0.00 -0.71 0.00 0.00 52.86 49.89 1bqh s ASN 82 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1bqh s ASN 82 CO 0.00 -1.21 0.05 0.59 -1.51 0.00 0.00 177.10 175.02 1bqh n ASN 83 N 8.26 -5.74 -4.41 -1.22 4.13 -1.26 -4.52 115.26 110.49 1bqh n ASN 83 Ca 0.44 -0.04 -0.44 0.00 1.68 0.00 0.00 54.58 56.22 1bqh n ASN 83 Cb 0.47 -4.75 -0.08 0.00 -1.54 0.00 0.00 39.78 33.88 1bqh n ASN 83 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bqh s LYS 84 N -5.06 2.99 -0.39 3.52 1.02 -1.26 -1.06 119.74 119.51 1bqh s LYS 84 Ca 0.03 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 54.66 1bqh s LYS 84 Cb -0.01 -4.09 0.01 0.00 -0.52 0.00 0.00 37.83 33.22 1bqh s LYS 84 CO 0.03 -0.97 0.28 0.71 -0.92 0.00 0.00 175.35 174.48 1bqh s TYR 85 N 1.75 3.24 0.17 3.18 1.51 -0.53 0.06 117.35 126.73 1bqh s TYR 85 Ca 0.05 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1bqh s TYR 85 Cb -0.22 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 1bqh s TYR 85 CO 0.08 -0.52 0.37 0.08 -1.11 0.00 0.00 175.55 174.46 1bqh s VAL 86 N 1.69 5.21 -0.23 0.71 1.01 0.52 -1.22 120.40 128.08 1bqh s VAL 86 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1bqh s VAL 86 Cb -0.18 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1bqh s VAL 86 CO 0.10 -0.09 0.18 -0.22 0.00 0.00 0.00 175.10 175.06 1bqh s LEU 87 N -3.07 0.15 -0.28 3.92 2.96 0.16 -1.08 118.68 121.43 1bqh s LEU 87 Ca 0.39 -0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 1bqh s LEU 87 Cb -0.11 0.06 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 1bqh s LEU 87 CO 0.28 -0.37 0.18 0.42 -1.32 0.00 0.00 176.35 175.54 1bqh s THR 88 N 2.23 5.22 -0.95 3.68 -4.23 0.52 0.03 115.64 122.14 1bqh s THR 88 Ca 0.06 0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.50 1bqh s THR 88 Cb -0.16 -3.48 0.08 0.00 1.34 0.00 0.00 72.50 70.28 1bqh s THR 88 CO -0.20 0.26 1.29 -0.76 -0.54 0.00 0.00 174.62 174.66 1bqh s LEU 89 N 1.73 4.14 0.00 4.79 1.43 0.23 -1.96 118.68 129.04 1bqh s LEU 89 Ca 0.07 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.57 1bqh s LEU 89 Cb -0.16 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1bqh s LEU 89 CO 0.10 -1.35 0.49 -0.46 0.23 0.00 0.00 176.35 175.37 1bqh n ASN 90 N 7.93 1.37 0.00 2.29 2.04 -1.22 -1.78 115.26 125.89 1bqh n ASN 90 Ca 0.26 -1.21 0.00 0.00 -0.44 0.00 0.00 54.58 53.19 1bqh n ASN 90 Cb 0.50 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 1bqh n ASN 90 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1bqh n LYS 91 N 0.51 0.00 -1.52 -3.83 3.00 -1.17 -4.77 118.16 110.38 1bqh n LYS 91 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1bqh n LYS 91 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.18 1bqh n LYS 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1bqh n PHE 92 N 0.00 0.93 -3.80 5.64 7.35 0.16 -4.52 117.46 123.22 1bqh n PHE 92 Ca 0.00 0.23 -0.24 0.00 -0.76 0.00 0.00 57.45 56.69 1bqh n PHE 92 Cb 0.00 -2.41 -0.03 0.00 0.35 0.00 0.00 39.48 37.39 1bqh n PHE 92 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1bqh s SER 93 N 10.08 4.75 0.33 -2.13 1.04 -1.26 0.67 113.70 127.18 1bqh s SER 93 Ca 1.18 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1bqh s SER 93 Cb -0.73 -0.16 0.62 0.00 0.10 0.00 0.00 66.02 65.85 1bqh s SER 93 CO 0.38 -0.81 1.95 0.50 0.98 0.00 0.00 173.24 176.23 1bqh h LYS 94 N 0.99 0.88 0.00 4.02 1.63 -1.98 -0.97 116.57 121.15 1bqh h LYS 94 Ca -0.40 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1bqh h LYS 94 Cb 1.28 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1bqh h LYS 94 CO 0.60 0.58 0.19 0.93 -3.45 0.00 0.00 179.45 178.30 1bqh h GLU 95 N 0.91 0.00 0.05 1.90 3.07 -1.96 -2.26 114.58 116.29 1bqh h GLU 95 Ca 0.33 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.86 1bqh h GLU 95 Cb 0.15 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 1bqh h GLU 95 CO -0.11 0.00 -1.90 0.09 -1.40 0.00 0.00 179.01 175.70 1bqh n ASN 96 N -2.94 1.32 -4.62 1.42 4.13 -0.37 -4.97 115.26 109.23 1bqh n ASN 96 Ca -0.02 0.29 -0.60 0.00 1.68 0.00 0.00 54.58 55.92 1bqh n ASN 96 Cb 0.24 -0.30 -0.08 0.00 -1.54 0.00 0.00 39.78 38.10 1bqh n ASN 96 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1bqh n GLU 97 N -3.19 0.41 -3.58 3.52 2.13 -0.85 -4.86 120.64 114.22 1bqh n GLU 97 Ca -0.25 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1bqh n GLU 97 Cb 1.06 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 31.06 1bqh n GLU 97 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bqh n GLY 98 N 2.86 -0.94 3.40 8.31 0.00 -0.65 -1.88 105.19 116.29 1bqh n GLY 98 Ca 0.24 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1bqh n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bqh s TYR 99 N -3.00 3.20 0.06 1.61 1.51 0.05 -0.14 117.35 120.64 1bqh s TYR 99 Ca 0.00 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1bqh s TYR 99 Cb 0.00 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 1bqh s TYR 99 CO 0.00 -0.54 0.09 0.71 -1.11 0.00 0.00 175.55 174.69 1bqh s TYR 100 N 1.57 3.23 -0.05 2.71 1.51 -0.81 0.22 117.35 125.74 1bqh s TYR 100 Ca 0.03 0.12 -0.31 0.00 -1.01 0.00 0.00 57.07 55.91 1bqh s TYR 100 Cb -0.18 -1.66 0.11 0.00 -0.11 0.00 0.00 41.96 40.12 1bqh s TYR 100 CO 0.06 0.53 1.03 -0.59 -1.11 0.00 0.00 175.55 175.47 1bqh s PHE 101 N -1.34 -0.23 0.14 2.71 -0.71 -0.79 0.13 117.98 117.88 1bqh s PHE 101 Ca 0.28 0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.36 1bqh s PHE 101 Cb -0.12 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1bqh s PHE 101 CO 0.20 -0.44 -0.07 0.00 -1.34 0.00 0.00 175.22 173.57 1bqh s SER 103 N -2.54 3.08 -0.22 0.00 0.15 -0.10 -1.22 113.70 112.86 1bqh s SER 103 Ca 0.24 -1.03 -0.19 0.00 0.70 0.00 0.00 55.95 55.66 1bqh s SER 103 Cb -0.10 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.05 1bqh s SER 103 CO 0.15 -0.08 0.59 -0.69 1.20 0.00 0.00 173.24 174.41 1bqh s VAL 104 N -2.75 -0.00 0.19 4.45 1.01 0.52 -1.60 120.40 122.22 1bqh s VAL 104 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1bqh s VAL 104 Cb -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1bqh s VAL 104 CO 0.11 0.00 0.40 -0.63 0.00 0.00 0.00 175.10 174.99 1bqh s ILE 105 N 0.54 5.17 -0.28 2.22 -1.09 -1.26 -0.12 121.20 126.38 1bqh s ILE 105 Ca -0.02 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1bqh s ILE 105 Cb -0.05 -3.70 0.17 0.00 -1.58 0.00 0.00 42.46 37.30 1bqh s ILE 105 CO -0.02 -0.13 0.53 -0.55 -1.23 0.00 0.00 174.94 173.53 1bqh s SER 106 N -2.96 -0.84 -0.94 3.58 0.15 0.48 -4.35 113.70 108.82 1bqh s SER 106 Ca 0.40 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.68 1bqh s SER 106 Cb -0.11 1.83 0.01 0.00 -1.71 0.00 0.00 66.02 66.04 1bqh s SER 106 CO 0.28 -0.27 0.65 0.59 1.20 0.00 0.00 173.24 175.69 1bqh n ASN 107 N 5.41 -5.03 0.00 5.45 4.13 -1.26 -1.33 115.26 122.63 1bqh n ASN 107 Ca -0.03 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1bqh n ASN 107 Cb 0.51 -2.21 0.00 0.00 -1.54 0.00 0.00 39.78 36.53 1bqh n ASN 107 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bqh n SER 108 N -2.43 0.00 -4.87 6.41 7.64 -1.26 -4.98 113.62 114.12 1bqh n SER 108 Ca -0.22 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.32 1bqh n SER 108 Cb 0.63 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.65 1bqh n SER 108 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bqh s VAL 109 N -1.41 5.15 -0.14 0.44 1.01 -0.44 -5.09 120.40 119.91 1bqh s VAL 109 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1bqh s VAL 109 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1bqh s VAL 109 CO 0.00 0.34 0.17 -0.04 0.00 0.00 0.00 175.10 175.56 1bqh s MET 110 N -1.79 3.73 -0.03 2.72 -1.94 -1.26 -0.39 119.30 120.34 1bqh s MET 110 Ca 0.31 -0.10 0.04 0.00 -1.71 0.00 0.00 55.69 54.22 1bqh s MET 110 Cb -0.14 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.43 1bqh s MET 110 CO 0.17 0.61 -0.14 0.71 -0.01 0.00 0.00 175.02 176.36 1bqh s TYR 111 N -0.57 1.37 0.09 -0.03 2.02 0.83 -4.96 117.35 116.10 1bqh s TYR 111 Ca 0.14 -0.33 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1bqh s TYR 111 Cb -0.12 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1bqh s TYR 111 CO 0.03 -0.09 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.67 1bqh s PHE 112 N -0.06 1.64 0.90 2.71 0.08 -1.26 -0.36 117.98 121.63 1bqh s PHE 112 Ca -0.00 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 1bqh s PHE 112 Cb -0.09 -0.91 0.21 0.00 -0.57 0.00 0.00 43.02 41.66 1bqh s PHE 112 CO 0.01 0.15 1.22 -1.13 -0.10 0.00 0.00 175.22 175.37 1bqh n SER 113 N 1.25 0.13 -4.79 1.36 3.41 -0.36 -4.88 113.62 109.74 1bqh n SER 113 Ca -0.20 -1.46 -0.37 0.00 -0.26 0.00 0.00 58.87 56.58 1bqh n SER 113 Cb 0.54 -0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 1bqh n SER 113 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bqh s SER 114 N -5.48 7.31 0.21 4.04 1.04 -1.26 -4.77 113.70 114.79 1bqh s SER 114 Ca 0.70 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 58.55 1bqh s SER 114 Cb -0.02 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 1bqh s SER 114 CO 0.49 0.02 1.24 0.68 0.98 0.00 0.00 173.24 176.64 1bqh s VAL 115 N -1.49 3.36 -0.42 5.02 -7.23 -1.26 -4.76 120.40 113.62 1bqh s VAL 115 Ca 0.46 1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 61.65 1bqh s VAL 115 Cb -0.19 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.04 1bqh s VAL 115 CO 0.24 0.20 0.30 0.54 -0.31 0.00 0.00 175.10 176.07 1bqh s VAL 116 N -0.18 5.04 0.18 1.32 0.11 0.35 -4.89 120.40 122.33 1bqh s VAL 116 Ca 0.53 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 1bqh s VAL 116 Cb -0.35 -3.87 -0.09 0.00 -1.53 0.00 0.00 36.38 30.54 1bqh s VAL 116 CO 0.39 -0.37 1.35 -2.16 -3.33 0.00 0.00 175.10 170.98 1bqh s PRO 117 N 1.63 4.35 -0.56 1.54 0.04 -1.26 -1.93 135.00 138.82 1bqh s PRO 117 Ca 0.04 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1bqh s PRO 117 Cb -0.20 -3.20 0.16 0.00 0.04 0.00 0.00 34.50 31.29 1bqh s PRO 117 CO 0.08 -0.33 0.37 0.08 0.04 0.00 0.00 177.00 177.25 1bqh s VAL 118 N 0.37 1.92 0.05 -0.36 1.01 0.80 -1.97 120.40 122.23 1bqh s VAL 118 Ca 0.59 -3.40 -0.00 0.00 0.00 0.00 0.00 61.98 59.17 1bqh s VAL 118 Cb -0.37 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1bqh s VAL 118 CO 0.37 -1.01 0.20 -0.76 0.00 0.00 0.00 175.10 173.90 1bqh s LEU 119 N -0.56 4.35 0.00 3.92 2.01 -1.23 -1.64 118.68 125.53 1bqh s LEU 119 Ca 0.24 0.28 0.27 0.00 0.01 0.00 0.00 54.13 54.93 1bqh s LEU 119 Cb -0.09 -2.90 0.94 0.00 0.01 0.00 0.00 46.19 44.14 1bqh s LEU 119 CO -0.12 0.18 1.70 0.00 1.01 0.00 0.00 176.35 179.13 1bqh n GLN 120 N 0.39 0.27 -1.33 1.70 10.64 -1.25 -1.34 117.38 126.46 1bqh n GLN 120 Ca -0.06 -0.11 -0.57 0.00 -1.83 0.00 0.00 57.00 54.43 1bqh n GLN 120 Cb 0.51 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.29 1bqh n GLN 120 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1bqh n LYS 121 N -1.27 0.36 -1.99 2.61 5.02 -1.26 -4.57 118.16 117.06 1bqh n LYS 121 Ca 0.09 0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1bqh n LYS 121 Cb 0.32 -1.81 0.04 0.00 -0.02 0.00 0.00 35.03 33.56 1bqh n LYS 121 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bqh n VAL 122 N 6.63 0.09 -4.32 -0.18 0.31 -1.26 -4.71 118.33 114.88 1bqh n VAL 122 Ca 0.50 -0.76 -0.34 0.00 -0.01 0.00 0.00 64.34 63.72 1bqh n VAL 122 Cb 0.05 0.84 -0.12 0.00 -0.91 0.00 0.00 33.84 33.70 1bqh n VAL 122 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1bqh s SER 123 N -1.32 4.93 0.00 4.52 0.15 -1.26 -4.82 113.70 115.90 1bqh s SER 123 Ca 0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1bqh s SER 123 Cb 0.27 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1bqh s SER 123 CO -0.08 0.17 0.00 -1.54 1.20 0.00 0.00 173.24 172.99 1bqh n SER 124 N 3.56 0.00 0.00 5.45 3.41 -1.26 -5.27 113.62 119.51 1bqh n SER 124 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1bqh n SER 124 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bqh n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88