#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqh s PRO 2 N 0.00 -0.02 0.00 -1.58 0.04 -1.26 -3.66 135.00 128.52 1bqh s PRO 2 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1bqh s PRO 2 Cb 0.00 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1bqh s PRO 2 CO 0.00 -3.18 0.00 0.94 0.04 0.00 0.00 177.00 174.80 1bqh n GLN 3 N -4.57 0.00 -1.95 4.56 -0.06 -1.26 -4.70 117.38 109.40 1bqh n GLN 3 Ca 0.06 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.64 1bqh n GLN 3 Cb 0.54 -0.04 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 1bqh n GLN 3 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bqh s ALA 4 N 0.00 3.72 0.21 1.69 0.00 -1.24 -3.74 121.76 122.40 1bqh s ALA 4 Ca 0.00 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 1bqh s ALA 4 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 23.12 19.36 1bqh s ALA 4 CO 0.00 -0.92 1.58 -1.25 0.00 0.00 0.00 175.76 175.17 1bqh s PRO 5 N 1.86 4.19 -0.24 0.00 0.04 -1.26 -4.54 135.00 135.05 1bqh s PRO 5 Ca 0.71 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.93 1bqh s PRO 5 Cb -0.41 -3.11 0.10 0.00 0.04 0.00 0.00 34.50 31.12 1bqh s PRO 5 CO 0.31 -0.61 0.88 -2.00 0.04 0.00 0.00 177.00 175.63 1bqh s GLU 6 N 0.59 0.69 0.08 4.56 2.56 -0.56 -5.00 118.70 121.62 1bqh s GLU 6 Ca 0.68 0.67 0.02 0.00 0.00 0.00 0.00 54.97 56.34 1bqh s GLU 6 Cb -0.45 0.34 -0.04 0.00 2.00 0.00 0.00 34.13 35.97 1bqh s GLU 6 CO 0.36 -0.11 0.11 -0.51 -0.56 0.00 0.00 175.26 174.55 1bqh s LEU 7 N 0.01 3.93 -0.06 2.70 1.43 -1.26 -2.04 118.68 123.39 1bqh s LEU 7 Ca 0.00 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1bqh s LEU 7 Cb -0.04 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1bqh s LEU 7 CO -0.01 0.16 -0.14 -0.13 0.23 0.00 0.00 176.35 176.46 1bqh s ARG 8 N -2.47 2.66 -0.05 1.70 0.52 -0.67 -4.71 118.95 115.93 1bqh s ARG 8 Ca 0.31 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1bqh s ARG 8 Cb -0.12 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1bqh s ARG 8 CO 0.23 0.54 -0.23 -1.50 0.02 0.00 0.00 175.30 174.37 1bqh s ILE 9 N -0.52 1.85 -0.09 1.52 1.10 -1.26 -1.35 121.20 122.45 1bqh s ILE 9 Ca 0.07 -0.96 -0.07 0.00 -0.51 0.00 0.00 60.65 59.18 1bqh s ILE 9 Cb -0.12 -1.57 0.03 0.00 0.15 0.00 0.00 42.46 40.95 1bqh s ILE 9 CO 0.01 0.52 0.22 0.12 -2.11 0.00 0.00 174.94 173.71 1bqh s PHE 10 N -0.12 -0.26 0.58 3.50 5.36 -0.94 -4.34 117.98 121.77 1bqh s PHE 10 Ca -0.03 0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 56.42 1bqh s PHE 10 Cb -0.13 0.07 -0.05 0.00 -0.34 0.00 0.00 43.02 42.58 1bqh s PHE 10 CO 0.03 -0.14 1.02 -2.14 -1.46 0.00 0.00 175.22 172.53 1bqh s PRO 11 N 0.32 3.60 0.00 10.12 0.02 -1.26 -1.23 135.00 146.57 1bqh s PRO 11 Ca -0.02 0.95 0.28 0.00 0.02 0.00 0.00 61.00 62.23 1bqh s PRO 11 Cb -0.03 -2.08 1.14 0.00 0.02 0.00 0.00 34.50 33.55 1bqh s PRO 11 CO -0.01 -0.56 1.80 1.63 -0.33 0.00 0.00 177.00 179.52 1bqh n LYS 12 N -2.18 1.58 -3.64 5.54 5.02 -1.26 -4.87 118.16 118.34 1bqh n LYS 12 Ca 0.07 -0.84 -0.03 0.00 -2.02 0.00 0.00 58.31 55.49 1bqh n LYS 12 Cb 0.54 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 1bqh n LYS 12 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1bqh s LYS 13 N -1.99 0.28 -0.18 1.97 -2.85 -1.26 -4.44 119.74 111.27 1bqh s LYS 13 Ca 0.39 0.41 -0.03 0.00 -1.00 0.00 0.00 55.97 55.73 1bqh s LYS 13 Cb 0.21 0.10 0.06 0.00 -2.06 0.00 0.00 37.83 36.13 1bqh s LYS 13 CO 0.33 -0.05 0.05 -1.64 0.10 0.00 0.00 175.35 174.14 1bqh s MET 14 N 0.73 0.49 -0.31 1.78 -1.94 -1.21 -4.99 119.30 113.85 1bqh s MET 14 Ca -0.02 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.75 1bqh s MET 14 Cb -0.04 -1.94 0.67 0.00 2.01 0.00 0.00 34.83 35.54 1bqh s MET 14 CO -0.12 -0.62 1.73 -0.25 -0.01 0.00 0.00 175.02 175.75 1bqh n ASP 15 N 5.12 4.48 -4.75 3.03 9.92 -1.26 0.00 116.55 133.09 1bqh n ASP 15 Ca -0.08 -3.14 -0.41 0.00 -0.53 0.00 0.00 54.79 50.63 1bqh n ASP 15 Cb 0.48 -0.74 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 1bqh n ASP 15 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bqh s ALA 16 N -2.77 3.39 0.56 2.24 0.00 -1.24 -3.91 121.76 120.03 1bqh s ALA 16 Ca 0.50 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.35 1bqh s ALA 16 Cb 0.40 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1bqh s ALA 16 CO 0.12 -0.15 0.77 -1.21 0.00 0.00 0.00 175.76 175.29 1bqh s GLU 17 N -0.94 2.36 -0.47 0.00 8.01 -1.26 -4.50 118.70 121.90 1bqh s GLU 17 Ca 0.46 -1.20 -0.43 0.00 0.01 0.00 0.00 54.97 53.82 1bqh s GLU 17 Cb -0.30 -2.57 -0.18 0.00 -4.31 0.00 0.00 34.13 26.77 1bqh s GLU 17 CO 0.38 -0.80 1.79 -0.11 0.01 0.00 0.00 175.26 176.53 1bqh n LEU 18 N -2.30 0.90 0.00 1.80 0.00 -1.26 -3.18 117.00 112.97 1bqh n LEU 18 Ca 0.12 0.86 0.00 0.00 0.00 0.00 0.00 56.01 56.98 1bqh n LEU 18 Cb 0.60 -0.84 0.00 0.00 0.00 0.00 0.00 43.42 43.18 1bqh n LEU 18 CO 0.42 -0.76 0.00 0.61 0.00 0.00 0.00 177.39 177.66 1bqh n GLY 19 N 5.59 2.74 3.76 -3.96 0.00 -1.26 -4.96 105.19 107.10 1bqh n GLY 19 Ca 0.42 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1bqh n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bqh s GLN 20 N 0.00 4.46 0.38 1.61 -2.07 -1.19 -4.45 119.66 118.40 1bqh s GLN 20 Ca 0.00 1.92 -0.25 0.00 -1.82 0.00 0.00 55.36 55.21 1bqh s GLN 20 Cb 0.00 -3.06 -0.09 0.00 -1.09 0.00 0.00 33.01 28.76 1bqh s GLN 20 CO 0.00 0.02 1.02 0.15 -1.32 0.00 0.00 175.29 175.16 1bqh s LYS 21 N -1.70 4.29 -0.19 9.60 -0.14 -1.21 -2.95 119.74 127.44 1bqh s LYS 21 Ca 0.48 1.47 -0.04 0.00 -1.36 0.00 0.00 55.97 56.52 1bqh s LYS 21 Cb -0.34 -2.62 0.09 0.00 -1.68 0.00 0.00 37.83 33.28 1bqh s LYS 21 CO 0.44 -0.02 0.22 0.54 -0.76 0.00 0.00 175.35 175.76 1bqh s VAL 22 N -1.65 -0.32 -0.36 3.17 0.11 -0.88 -4.97 120.40 115.50 1bqh s VAL 22 Ca 0.55 -0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.34 1bqh s VAL 22 Cb -0.21 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1bqh s VAL 22 CO 0.27 -0.18 0.56 -1.81 -3.33 0.00 0.00 175.10 170.61 1bqh s ASP 23 N 2.32 6.35 -0.50 3.54 1.11 -1.26 -0.09 116.67 128.13 1bqh s ASP 23 Ca 0.06 -0.02 -0.09 0.00 0.18 0.00 0.00 52.55 52.68 1bqh s ASP 23 Cb -0.15 -2.29 0.13 0.00 1.07 0.00 0.00 42.92 41.68 1bqh s ASP 23 CO -0.12 -0.54 0.38 -0.76 1.18 0.00 0.00 175.17 175.31 1bqh s LEU 24 N 2.51 5.73 0.05 1.23 1.02 -0.49 -4.40 118.68 124.34 1bqh s LEU 24 Ca 0.20 -2.03 -0.21 0.00 0.02 0.00 0.00 54.13 52.12 1bqh s LEU 24 Cb -0.15 -2.01 -0.06 0.00 0.02 0.00 0.00 46.19 43.99 1bqh s LEU 24 CO 0.14 -0.66 0.60 0.68 0.02 0.00 0.00 176.35 177.13 1bqh s VAL 25 N 1.18 4.78 -0.20 -1.59 -7.23 -0.37 -1.36 120.40 115.62 1bqh s VAL 25 Ca 0.07 1.28 0.01 0.00 -1.81 0.00 0.00 61.98 61.53 1bqh s VAL 25 Cb -0.25 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 32.78 1bqh s VAL 25 CO -0.01 0.49 -0.16 0.00 -0.31 0.00 0.00 175.10 175.10 1bqh s GLU 27 N 1.28 3.00 -0.64 0.00 2.12 -0.46 -1.70 118.70 122.31 1bqh s GLU 27 Ca 0.03 -1.33 -0.23 0.00 0.36 0.00 0.00 54.97 53.79 1bqh s GLU 27 Cb -0.15 -4.15 0.06 0.00 0.26 0.00 0.00 34.13 30.15 1bqh s GLU 27 CO -0.10 -1.09 0.99 0.54 -0.54 0.00 0.00 175.26 175.05 1bqh s VAL 28 N 1.79 4.28 -0.24 3.70 0.11 -0.70 -1.67 120.40 127.67 1bqh s VAL 28 Ca 0.05 -0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 1bqh s VAL 28 Cb -0.24 -4.67 -0.03 0.00 -1.53 0.00 0.00 36.38 29.91 1bqh s VAL 28 CO 0.07 -1.41 0.08 -0.76 -3.33 0.00 0.00 175.10 169.76 1bqh s LEU 29 N 4.19 3.59 0.00 2.54 1.43 -0.87 -4.85 118.68 124.73 1bqh s LEU 29 Ca 0.25 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1bqh s LEU 29 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1bqh s LEU 29 CO 0.13 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1bqh n GLY 30 N 4.64 0.30 2.46 -3.19 0.00 -1.26 -1.49 105.19 106.64 1bqh n GLY 30 Ca -0.16 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 1bqh n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bqh n SER 31 N 0.00 3.04 -4.63 1.61 2.88 -1.25 -4.95 113.62 110.32 1bqh n SER 31 Ca 0.00 -3.32 -0.40 0.00 -1.33 0.00 0.00 58.87 53.82 1bqh n SER 31 Cb 0.00 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1bqh n SER 31 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1bqh s VAL 32 N -2.59 5.09 -0.11 2.46 1.01 -1.26 -4.88 120.40 120.12 1bqh s VAL 32 Ca 0.41 0.88 0.14 0.00 0.00 0.00 0.00 61.98 63.42 1bqh s VAL 32 Cb 0.19 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1bqh s VAL 32 CO -0.06 0.13 1.18 -1.28 0.00 0.00 0.00 175.10 175.07 1bqh h SER 33 N 7.81 0.00 -2.01 3.32 0.87 -1.97 -3.47 113.55 118.10 1bqh h SER 33 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1bqh h SER 33 Cb 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1bqh h SER 33 CO 0.72 0.61 0.00 0.00 -0.53 0.00 0.00 176.83 177.63 1bqh n GLN 34 N -3.12 0.25 -1.95 2.24 1.13 -1.26 -4.70 117.38 109.97 1bqh n GLN 34 Ca -0.03 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.94 1bqh n GLN 34 Cb 0.81 0.00 0.02 0.00 0.11 0.00 0.00 30.24 31.18 1bqh n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqh n GLY 35 N 5.00 2.12 3.62 1.08 0.00 -1.26 -4.00 105.19 111.76 1bqh n GLY 35 Ca 0.00 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.53 4.01 -0.20 0.00 0.01 -0.10 0.12 113.70 117.01 1bqh s SER 37 Ca 0.09 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 1bqh s SER 37 Cb -0.12 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 1bqh s SER 37 CO 0.02 0.34 -0.04 0.26 0.41 0.00 0.00 173.24 174.23 1bqh s TRP 38 N -0.75 2.97 0.11 2.43 0.52 0.18 0.32 118.94 124.72 1bqh s TRP 38 Ca 0.12 -0.72 0.05 0.00 0.02 0.00 0.00 56.10 55.57 1bqh s TRP 38 Cb -0.11 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1bqh s TRP 38 CO 0.01 -0.38 -0.12 -0.51 0.02 0.00 0.00 176.95 175.97 1bqh s LEU 39 N 1.13 2.41 0.23 2.99 1.43 -0.62 0.32 118.68 126.57 1bqh s LEU 39 Ca 0.02 -0.82 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 1bqh s LEU 39 Cb -0.15 -0.42 0.06 0.00 0.03 0.00 0.00 46.19 45.71 1bqh s LEU 39 CO -0.00 -0.21 0.90 0.72 0.23 0.00 0.00 176.35 177.99 1bqh s PHE 40 N -2.33 -0.05 -0.11 0.29 -0.12 -1.21 -1.44 117.98 113.01 1bqh s PHE 40 Ca 0.07 -0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 56.53 1bqh s PHE 40 Cb -0.04 0.70 0.05 0.00 -0.63 0.00 0.00 43.02 43.11 1bqh s PHE 40 CO 0.02 -1.07 0.26 1.14 -0.05 0.00 0.00 175.22 175.51 1bqh s GLN 41 N -2.99 0.20 0.00 1.99 -2.07 -0.92 -1.37 119.66 114.50 1bqh s GLN 41 Ca 0.15 0.60 0.00 0.00 -1.82 0.00 0.00 55.36 54.29 1bqh s GLN 41 Cb -0.03 -0.09 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 1bqh s GLN 41 CO 0.06 -0.20 0.00 0.27 -1.32 0.00 0.00 175.29 174.10 1bqh n ASN 42 N 4.53 0.00 0.00 12.60 6.94 -1.26 -2.57 115.26 135.51 1bqh n ASN 42 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.36 1bqh n ASN 42 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1bqh n ASN 42 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1bqh n SER 43 N 0.00 0.00 -2.95 0.53 2.88 -1.26 -3.29 113.62 109.53 1bqh n SER 43 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bqh n SER 43 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -3.16 -3.46 3.41 -1.26 -4.18 113.62 104.97 1bqh n SER 44 Ca 0.00 -1.49 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 1bqh n SER 44 Cb 0.00 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1bqh n SER 44 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bqh s SER 45 N 3.48 0.02 -0.07 4.04 1.04 -1.21 -4.96 113.70 116.04 1bqh s SER 45 Ca 0.00 -1.86 0.04 0.00 0.48 0.00 0.00 55.95 54.61 1bqh s SER 45 Cb 0.00 0.95 -0.24 0.00 0.10 0.00 0.00 66.02 66.83 1bqh s SER 45 CO 0.00 -0.16 0.55 0.29 0.98 0.00 0.00 173.24 174.90 1bqh n LYS 46 N 3.54 0.69 -3.99 4.02 4.76 -1.26 -4.84 118.16 121.07 1bqh n LYS 46 Ca 0.18 0.29 -0.21 0.00 -2.87 0.00 0.00 58.31 55.69 1bqh n LYS 46 Cb 0.51 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1bqh n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bqh s LEU 47 N -6.49 3.85 -0.64 -0.35 1.43 -1.26 -4.97 118.68 110.24 1bqh s LEU 47 Ca -0.12 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 1bqh s LEU 47 Cb 0.07 -2.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.76 1bqh s LEU 47 CO 0.80 -0.13 2.47 -0.81 0.23 0.00 0.00 176.35 178.91 1bqh n PRO 48 N -1.28 0.74 -3.73 1.29 -0.04 -1.26 -4.84 135.00 125.89 1bqh n PRO 48 Ca -0.06 -0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1bqh n PRO 48 Cb 0.58 -3.02 -0.13 0.00 -0.04 0.00 0.00 33.50 30.89 1bqh n PRO 48 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1bqh s GLN 49 N 8.47 1.32 0.36 0.54 -1.52 -1.26 -5.11 119.66 122.46 1bqh s GLN 49 Ca 1.06 -2.04 -0.26 0.00 -1.95 0.00 0.00 55.36 52.17 1bqh s GLN 49 Cb -0.40 -2.39 -0.09 0.00 -0.22 0.00 0.00 33.01 29.91 1bqh s GLN 49 CO 0.29 -1.16 1.12 -1.25 -0.25 0.00 0.00 175.29 174.05 1bqh s PRO 50 N 0.32 4.25 -0.10 2.91 0.04 -1.26 -4.59 135.00 136.57 1bqh s PRO 50 Ca 0.18 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1bqh s PRO 50 Cb -0.24 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1bqh s PRO 50 CO 0.00 -0.12 -0.06 0.95 0.04 0.00 0.00 177.00 177.81 1bqh s THR 51 N -1.40 0.88 0.21 1.26 -4.23 -0.47 -4.96 115.64 106.93 1bqh s THR 51 Ca 0.54 -0.20 -0.32 0.00 -1.18 0.00 0.00 61.69 60.53 1bqh s THR 51 Cb -0.29 -0.93 -0.14 0.00 1.34 0.00 0.00 72.50 72.47 1bqh s THR 51 CO 0.37 0.34 1.29 0.33 -0.54 0.00 0.00 174.62 176.41 1bqh n PHE 52 N 4.96 1.75 -0.01 3.99 7.35 -1.26 -3.29 117.46 130.95 1bqh n PHE 52 Ca -0.12 0.55 -0.02 0.00 -0.76 0.00 0.00 57.45 57.10 1bqh n PHE 52 Cb 0.50 -2.37 -0.01 0.00 0.35 0.00 0.00 39.48 37.95 1bqh n PHE 52 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1bqh n VAL 53 N 1.71 0.62 -3.89 -2.13 0.31 0.15 -4.66 118.33 110.45 1bqh n VAL 53 Ca 0.13 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.62 1bqh n VAL 53 Cb 0.28 -1.56 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 1bqh n VAL 53 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bqh s VAL 54 N -1.65 0.12 -0.06 2.52 1.01 -0.98 -0.85 120.40 120.52 1bqh s VAL 54 Ca -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1bqh s VAL 54 Cb 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1bqh s VAL 54 CO 0.09 -0.56 -0.09 -0.47 0.00 0.00 0.00 175.10 174.07 1bqh s TYR 55 N -2.72 1.21 -0.23 5.22 5.04 -0.27 0.50 117.35 126.10 1bqh s TYR 55 Ca -0.04 -0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1bqh s TYR 55 Cb -0.00 -0.95 0.03 0.00 0.35 0.00 0.00 41.96 41.39 1bqh s TYR 55 CO -0.05 -0.27 -0.11 -1.64 -1.34 0.00 0.00 175.55 172.14 1bqh s MET 56 N 0.88 2.75 0.57 4.97 -1.94 0.33 -1.73 119.30 125.12 1bqh s MET 56 Ca -0.11 -1.02 -0.20 0.00 -1.71 0.00 0.00 55.69 52.65 1bqh s MET 56 Cb -0.15 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1bqh s MET 56 CO 0.01 -0.39 1.24 0.00 -0.01 0.00 0.00 175.02 175.88 1bqh s ALA 57 N 1.27 2.66 -0.16 3.03 0.00 -1.01 0.10 121.76 127.66 1bqh s ALA 57 Ca -0.01 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1bqh s ALA 57 Cb -0.16 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.25 1bqh s ALA 57 CO -0.07 -1.17 0.45 0.66 0.00 0.00 0.00 175.76 175.64 1bqh h SER 58 N 1.17 0.14 0.86 0.00 4.64 -1.86 -3.42 113.55 115.08 1bqh h SER 58 Ca -0.50 -0.74 -0.04 0.00 -0.47 0.00 0.00 61.79 60.04 1bqh h SER 58 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1bqh h SER 58 CO 0.56 1.44 -0.46 0.28 -0.87 0.00 0.00 176.83 177.78 1bqh h SER 59 N -0.74 -1.12 -4.54 4.97 0.02 -1.85 -3.47 113.55 106.82 1bqh h SER 59 Ca -0.26 0.05 -0.50 0.00 -0.84 0.00 0.00 61.79 60.24 1bqh h SER 59 Cb 1.41 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 64.16 1bqh h SER 59 CO -0.07 -0.75 -0.37 0.00 -1.14 0.00 0.00 176.83 174.51 1bqh n HIS 60 N -5.62 0.84 -3.14 3.45 -0.00 -1.26 -5.06 115.22 104.43 1bqh n HIS 60 Ca -0.15 -1.93 -0.44 0.00 -0.00 0.00 0.00 57.72 55.19 1bqh n HIS 60 Cb 0.49 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.25 1bqh n HIS 60 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1bqh n ASN 61 N -1.27 5.46 -3.82 4.39 3.02 -1.26 -4.61 115.26 117.16 1bqh n ASN 61 Ca -0.15 -3.04 -0.17 0.00 -0.03 0.00 0.00 54.58 51.18 1bqh n ASN 61 Cb 0.49 -1.45 -0.16 0.00 -0.61 0.00 0.00 39.78 38.05 1bqh n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bqh s LYS 62 N -0.29 0.34 -0.09 3.52 2.20 -1.26 -5.09 119.74 119.07 1bqh s LYS 62 Ca 0.36 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 56.05 1bqh s LYS 62 Cb -0.06 -0.51 0.01 0.00 -1.51 0.00 0.00 37.83 35.76 1bqh s LYS 62 CO -0.04 -0.13 -0.16 0.42 -0.36 0.00 0.00 175.35 175.08 1bqh s ILE 63 N 1.03 1.46 -0.25 5.43 1.01 -1.26 -2.40 121.20 126.22 1bqh s ILE 63 Ca -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1bqh s ILE 63 Cb -0.14 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1bqh s ILE 63 CO -0.02 0.43 -0.05 -0.89 0.00 0.00 0.00 174.94 174.41 1bqh s THR 64 N 0.76 3.01 0.72 2.92 2.01 -0.71 -4.98 115.64 119.38 1bqh s THR 64 Ca -0.12 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 1bqh s THR 64 Cb -0.16 -2.51 0.11 0.00 0.01 0.00 0.00 72.50 69.96 1bqh s THR 64 CO 0.02 0.22 1.01 0.26 -0.69 0.00 0.00 174.62 175.44 1bqh s TRP 65 N 1.36 1.98 0.50 4.92 0.52 -1.26 -1.11 118.94 125.84 1bqh s TRP 65 Ca 0.01 -0.05 -0.23 0.00 0.02 0.00 0.00 56.10 55.85 1bqh s TRP 65 Cb -0.16 -3.13 -0.06 0.00 -1.15 0.00 0.00 33.47 28.96 1bqh s TRP 65 CO -0.04 -1.66 1.37 0.34 0.02 0.00 0.00 176.95 176.99 1bqh s ASP 66 N -4.68 5.60 0.00 2.95 2.15 -0.03 -4.82 116.67 117.85 1bqh s ASP 66 Ca 0.65 2.80 0.00 0.00 0.43 0.00 0.00 52.55 56.43 1bqh s ASP 66 Cb -0.07 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1bqh s ASP 66 CO 0.45 -1.35 0.41 1.21 -0.17 0.00 0.00 175.17 175.72 1bqh n GLU 67 N -0.61 0.00 0.00 4.34 2.13 -1.26 -2.35 120.64 122.88 1bqh n GLU 67 Ca 0.08 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1bqh n GLU 67 Cb 0.44 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1bqh n GLU 67 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bqh n LYS 68 N -0.91 0.00 0.00 5.31 4.81 -1.26 -4.79 118.16 121.32 1bqh n LYS 68 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bqh n LYS 68 Cb 0.05 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 34.98 1bqh n LYS 68 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1bqh n LEU 69 N -2.24 0.00 -0.27 3.14 7.99 -1.12 -1.96 117.00 122.55 1bqh n LEU 69 Ca 0.00 0.26 0.06 0.00 -0.01 0.00 0.00 56.01 56.31 1bqh n LEU 69 Cb 0.00 -0.26 0.20 0.00 -0.11 0.00 0.00 43.42 43.25 1bqh n LEU 69 CO 0.00 -0.26 1.04 -1.13 -1.51 0.00 0.00 177.39 175.53 1bqh h ASN 70 N 0.00 0.35 -3.62 -1.43 -0.00 -1.77 -3.34 115.58 105.77 1bqh h ASN 70 Ca 0.00 0.10 -0.62 0.00 -0.00 0.00 0.00 56.30 55.78 1bqh h ASN 70 Cb 0.26 0.06 -0.15 0.00 -0.00 0.00 0.00 38.32 38.49 1bqh h ASN 70 CO 0.00 0.14 -0.51 -0.94 -0.00 0.00 0.00 177.43 176.12 1bqh s SER 71 N -5.37 6.09 -0.22 1.15 1.04 -0.83 -4.37 113.70 111.19 1bqh s SER 71 Ca -0.12 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 1bqh s SER 71 Cb 0.21 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 1bqh s SER 71 CO 0.77 0.05 0.19 -0.24 0.98 0.00 0.00 173.24 174.99 1bqh n SER 72 N 4.39 -2.79 -4.76 7.02 2.88 -1.26 -4.98 113.62 114.11 1bqh n SER 72 Ca -0.15 -0.14 -0.41 0.00 -1.33 0.00 0.00 58.87 56.84 1bqh n SER 72 Cb 0.52 -1.48 -0.01 0.00 -0.75 0.00 0.00 64.21 62.49 1bqh n SER 72 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1bqh s LYS 73 N -3.47 4.21 0.00 -1.46 -2.85 -1.25 -4.86 119.74 110.06 1bqh s LYS 73 Ca 0.08 2.41 0.01 0.00 -1.00 0.00 0.00 55.97 57.47 1bqh s LYS 73 Cb -0.01 -3.04 0.01 0.00 -2.06 0.00 0.00 37.83 32.73 1bqh s LYS 73 CO 0.15 -0.43 0.63 1.47 0.10 0.00 0.00 175.35 177.28 1bqh n LEU 74 N 1.30 1.28 -4.59 2.77 -0.00 -1.26 -5.01 117.00 111.49 1bqh n LEU 74 Ca 0.03 -1.24 -0.25 0.00 -0.00 0.00 0.00 56.01 54.56 1bqh n LEU 74 Cb 0.40 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.73 1bqh n LEU 74 CO 0.62 0.32 -0.35 -0.36 -0.00 0.00 0.00 177.39 177.62 1bqh s PHE 75 N -0.27 2.50 0.07 1.47 0.40 -1.26 -0.63 117.98 120.26 1bqh s PHE 75 Ca 0.01 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1bqh s PHE 75 Cb 0.00 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1bqh s PHE 75 CO 0.01 0.55 0.09 -1.12 0.70 0.00 0.00 175.22 175.45 1bqh s SER 76 N -3.66 0.28 0.16 1.36 0.01 0.87 -4.85 113.70 107.87 1bqh s SER 76 Ca 0.33 -0.79 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 1bqh s SER 76 Cb -0.01 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.53 1bqh s SER 76 CO 0.18 -0.66 0.49 0.00 0.41 0.00 0.00 173.24 173.66 1bqh s ALA 77 N -3.80 -1.08 0.00 1.44 0.00 -1.26 -1.23 121.76 115.83 1bqh s ALA 77 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1bqh s ALA 77 Cb 0.06 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1bqh s ALA 77 CO -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 175.76 174.93 1bqh n MET 78 N -0.30 0.00 -3.25 0.00 0.00 -1.02 -5.01 117.12 107.54 1bqh n MET 78 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.16 1bqh n MET 78 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.78 1bqh n MET 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1bqh s ARG 79 N -2.00 3.90 0.36 3.17 3.52 -1.26 -1.65 118.95 124.99 1bqh s ARG 79 Ca 0.00 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.65 1bqh s ARG 79 Cb 0.00 -3.71 -0.06 0.00 -1.56 0.00 0.00 34.95 29.62 1bqh s ARG 79 CO 0.00 -0.46 0.68 0.34 -0.81 0.00 0.00 175.30 175.05 1bqh s ASP 80 N 1.64 6.46 -0.33 -2.12 2.15 -1.01 -4.99 116.67 118.48 1bqh s ASP 80 Ca 0.20 0.93 -0.40 0.00 0.43 0.00 0.00 52.55 53.71 1bqh s ASP 80 Cb -0.15 -2.24 -0.16 0.00 -0.30 0.00 0.00 42.92 40.07 1bqh s ASP 80 CO 0.11 -0.33 1.85 0.35 -0.17 0.00 0.00 175.17 176.98 1bqh n THR 81 N -1.25 0.23 -2.01 1.71 -2.24 -1.26 -3.41 114.28 106.05 1bqh n THR 81 Ca 0.00 -0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1bqh n THR 81 Cb 0.54 -1.17 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1bqh n THR 81 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1bqh n ASN 82 N 6.27 -6.88 -2.32 3.42 5.15 -1.26 -4.52 115.26 115.11 1bqh n ASN 82 Ca 0.32 1.32 -0.01 0.00 -0.60 0.00 0.00 54.58 55.62 1bqh n ASN 82 Cb 0.11 -4.08 -0.00 0.00 -0.53 0.00 0.00 39.78 35.29 1bqh n ASN 82 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1bqh n ASN 83 N 1.32 -1.07 -4.59 1.20 2.04 -1.26 -4.93 115.26 107.98 1bqh n ASN 83 Ca -0.03 0.43 -0.32 0.00 -0.44 0.00 0.00 54.58 54.22 1bqh n ASN 83 Cb 0.05 -1.09 -0.11 0.00 -2.53 0.00 0.00 39.78 36.10 1bqh n ASN 83 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1bqh s LYS 84 N -4.66 2.53 -0.16 -3.83 -0.14 -1.22 -1.71 119.74 110.55 1bqh s LYS 84 Ca 0.00 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1bqh s LYS 84 Cb 0.00 -2.48 0.06 0.00 -1.68 0.00 0.00 37.83 33.72 1bqh s LYS 84 CO 0.00 0.60 0.06 0.71 -0.76 0.00 0.00 175.35 175.96 1bqh s TYR 85 N -0.99 0.47 -0.24 3.18 1.51 -0.69 -2.39 117.35 118.21 1bqh s TYR 85 Ca 0.17 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1bqh s TYR 85 Cb -0.11 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1bqh s TYR 85 CO 0.07 -0.50 -0.00 0.54 -1.11 0.00 0.00 175.55 174.55 1bqh s VAL 86 N 2.04 3.65 -0.47 0.71 0.11 -0.66 -0.23 120.40 125.55 1bqh s VAL 86 Ca 0.02 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 1bqh s VAL 86 Cb -0.16 -2.71 0.11 0.00 -1.53 0.00 0.00 36.38 32.09 1bqh s VAL 86 CO -0.08 0.35 0.36 -0.22 -3.33 0.00 0.00 175.10 172.18 1bqh s LEU 87 N 1.51 5.68 -0.22 2.54 2.96 -0.46 -2.45 118.68 128.24 1bqh s LEU 87 Ca 0.05 -1.77 -0.07 0.00 -0.22 0.00 0.00 54.13 52.12 1bqh s LEU 87 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1bqh s LEU 87 CO -0.01 -0.69 0.07 0.28 -1.32 0.00 0.00 176.35 174.68 1bqh s THR 88 N 1.44 4.54 0.25 3.68 -1.32 -0.37 -1.39 115.64 122.47 1bqh s THR 88 Ca 0.05 -0.11 -0.28 0.00 -1.21 0.00 0.00 61.69 60.14 1bqh s THR 88 Cb -0.26 -3.09 -0.09 0.00 -1.51 0.00 0.00 72.50 67.55 1bqh s THR 88 CO 0.01 0.38 0.90 -0.76 -2.21 0.00 0.00 174.62 172.95 1bqh s LEU 89 N 1.11 4.54 0.00 9.08 1.02 0.87 -0.09 118.68 135.21 1bqh s LEU 89 Ca 0.04 1.84 0.00 0.00 0.02 0.00 0.00 54.13 56.04 1bqh s LEU 89 Cb -0.14 -3.68 0.00 0.00 0.02 0.00 0.00 46.19 42.39 1bqh s LEU 89 CO 0.03 0.10 0.17 0.59 0.02 0.00 0.00 176.35 177.26 1bqh n ASN 90 N 1.20 0.00 -4.45 2.29 5.03 0.20 -2.08 115.26 117.45 1bqh n ASN 90 Ca -0.01 0.17 -0.33 0.00 0.87 0.00 0.00 54.58 55.28 1bqh n ASN 90 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.11 1bqh n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1bqh s LYS 91 N -0.35 3.39 -0.76 3.52 1.02 -1.26 -3.33 119.74 121.96 1bqh s LYS 91 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.33 1bqh s LYS 91 Cb 0.00 -2.73 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 1bqh s LYS 91 CO 0.00 0.30 2.17 0.34 -0.92 0.00 0.00 175.35 177.24 1bqh n PHE 92 N 3.31 1.13 -1.39 3.18 7.35 -1.15 -4.89 117.46 125.00 1bqh n PHE 92 Ca -0.18 -1.79 -0.31 0.00 -0.76 0.00 0.00 57.45 54.42 1bqh n PHE 92 Cb 0.53 -1.58 0.09 0.00 0.35 0.00 0.00 39.48 38.86 1bqh n PHE 92 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1bqh s SER 93 N 3.19 4.53 0.64 -2.13 0.01 -1.26 -4.04 113.70 114.64 1bqh s SER 93 Ca 0.40 1.59 0.32 0.00 1.31 0.00 0.00 55.95 59.58 1bqh s SER 93 Cb 0.12 -2.34 1.77 0.00 0.21 0.00 0.00 66.02 65.78 1bqh s SER 93 CO -0.03 -1.98 2.04 0.07 0.41 0.00 0.00 173.24 173.75 1bqh h LYS 94 N -1.09 0.00 0.00 12.44 -0.00 -2.01 -2.35 116.57 123.55 1bqh h LYS 94 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1bqh h LYS 94 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1bqh h LYS 94 CO 0.55 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.39 1bqh n GLU 95 N -3.21 0.16 -1.86 0.07 4.71 -1.26 -2.74 120.64 116.50 1bqh n GLU 95 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1bqh n GLU 95 Cb 0.34 -1.19 0.02 0.00 -1.01 0.00 0.00 31.44 29.61 1bqh n GLU 95 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1bqh n ASN 96 N -0.69 -0.29 -4.35 1.62 0.23 -0.89 -5.05 115.26 105.84 1bqh n ASN 96 Ca 0.01 -2.06 -0.45 0.00 -0.53 0.00 0.00 54.58 51.55 1bqh n ASN 96 Cb 0.01 0.15 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 1bqh n ASN 96 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1bqh s GLU 97 N -0.58 3.08 0.00 -3.83 2.12 -1.11 -4.94 118.70 113.43 1bqh s GLU 97 Ca 0.14 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.92 1bqh s GLU 97 Cb 0.26 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1bqh s GLU 97 CO -0.08 -1.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.59 1bqh n GLY 98 N 5.19 2.27 3.58 -1.50 0.00 -1.26 -4.33 105.19 109.15 1bqh n GLY 98 Ca -0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.79 3.12 0.21 1.61 2.02 -1.06 -1.19 117.35 120.27 1bqh s TYR 99 Ca 0.00 -0.07 0.10 0.00 -0.37 0.00 0.00 57.07 56.73 1bqh s TYR 99 Cb 0.00 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1bqh s TYR 99 CO 0.00 0.16 -0.10 0.71 -1.57 0.00 0.00 175.55 174.75 1bqh s TYR 100 N -0.00 2.57 -0.29 2.71 1.51 0.14 -2.16 117.35 121.83 1bqh s TYR 100 Ca 0.03 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 1bqh s TYR 100 Cb -0.13 -1.21 0.15 0.00 -0.11 0.00 0.00 41.96 40.66 1bqh s TYR 100 CO 0.02 0.56 1.19 -0.59 -1.11 0.00 0.00 175.55 175.62 1bqh s PHE 101 N -1.95 -0.31 0.30 2.71 -0.71 -0.52 -0.20 117.98 117.30 1bqh s PHE 101 Ca 0.27 0.76 -0.02 0.00 -1.04 0.00 0.00 56.93 56.91 1bqh s PHE 101 Cb -0.08 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1bqh s PHE 101 CO 0.16 -0.15 0.52 0.00 -1.34 0.00 0.00 175.22 174.41 1bqh s SER 103 N -3.60 0.34 -0.02 0.00 0.15 0.15 -1.42 113.70 109.31 1bqh s SER 103 Ca 0.41 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.84 1bqh s SER 103 Cb -0.10 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1bqh s SER 103 CO 0.33 -0.09 -0.06 0.68 1.20 0.00 0.00 173.24 175.30 1bqh s VAL 104 N -0.62 0.53 -0.23 4.45 -7.23 0.07 -0.92 120.40 116.44 1bqh s VAL 104 Ca -0.05 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1bqh s VAL 104 Cb -0.05 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 1bqh s VAL 104 CO -0.00 0.17 0.00 -0.63 -0.31 0.00 0.00 175.10 174.33 1bqh s ILE 105 N 0.17 3.78 -0.19 -0.62 1.01 -1.26 -0.35 121.20 123.74 1bqh s ILE 105 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1bqh s ILE 105 Cb -0.06 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.70 1bqh s ILE 105 CO -0.00 0.39 -0.16 -0.55 0.00 0.00 0.00 174.94 174.63 1bqh s SER 106 N 1.45 3.36 -1.30 3.58 0.15 -0.83 -4.36 113.70 115.75 1bqh s SER 106 Ca 0.05 -0.81 -0.03 0.00 0.70 0.00 0.00 55.95 55.87 1bqh s SER 106 Cb -0.15 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1bqh s SER 106 CO -0.00 -0.07 0.90 0.59 1.20 0.00 0.00 173.24 175.86 1bqh n ASN 107 N 4.62 -2.52 -2.37 5.45 4.13 -1.26 -2.37 115.26 120.93 1bqh n ASN 107 Ca -0.18 -0.70 -0.18 0.00 1.68 0.00 0.00 54.58 55.19 1bqh n ASN 107 Cb 0.48 -4.57 0.02 0.00 -1.54 0.00 0.00 39.78 34.17 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 -3.06 -5.28 -3.83 6.41 7.64 -1.26 -5.01 113.62 109.23 1bqh n SER 108 Ca -0.22 -0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.22 1bqh n SER 108 Cb 0.64 -4.20 -0.17 0.00 -1.01 0.00 0.00 64.21 59.48 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 -3.01 0.80 -0.21 0.44 1.01 -1.00 -5.10 120.40 113.33 1bqh s VAL 109 Ca 0.18 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1bqh s VAL 109 Cb -0.08 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1bqh s VAL 109 CO 0.22 0.09 1.35 -0.04 0.00 0.00 0.00 175.10 176.71 1bqh s MET 110 N 1.77 4.06 -0.26 2.72 -1.94 -1.26 -1.97 119.30 122.42 1bqh s MET 110 Ca 0.01 1.55 -0.04 0.00 -1.71 0.00 0.00 55.69 55.50 1bqh s MET 110 Cb -0.15 -3.85 0.01 0.00 2.01 0.00 0.00 34.83 32.84 1bqh s MET 110 CO -0.07 -0.94 -0.01 0.71 -0.01 0.00 0.00 175.02 174.70 1bqh s TYR 111 N 4.06 3.06 0.15 -0.03 2.02 0.52 -4.99 117.35 122.14 1bqh s TYR 111 Ca 0.59 -1.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 1bqh s TYR 111 Cb -0.21 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1bqh s TYR 111 CO 0.20 -0.61 0.29 -0.06 -1.57 0.00 0.00 175.55 173.80 1bqh s PHE 112 N 1.44 3.49 0.00 2.71 0.40 -1.26 -0.75 117.98 124.00 1bqh s PHE 112 Ca 0.03 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1bqh s PHE 112 Cb -0.16 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1bqh s PHE 112 CO -0.02 0.50 0.00 -1.13 0.70 0.00 0.00 175.22 175.28 1bqh n SER 113 N -0.50 0.00 -4.11 1.36 3.41 -0.51 -4.65 113.62 108.62 1bqh n SER 113 Ca -0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.27 1bqh n SER 113 Cb 0.54 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.32 1bqh n SER 113 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bqh s SER 114 N -1.00 2.27 -0.16 4.04 0.01 -1.26 -4.96 113.70 112.63 1bqh s SER 114 Ca 0.00 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 1bqh s SER 114 Cb 0.00 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 1bqh s SER 114 CO 0.00 0.11 2.04 0.54 0.41 0.00 0.00 173.24 176.33 1bqh s VAL 115 N 0.38 3.14 -0.28 3.43 0.11 -1.26 -4.60 120.40 121.32 1bqh s VAL 115 Ca -0.12 0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1bqh s VAL 115 Cb -0.15 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.55 1bqh s VAL 115 CO 0.05 -0.08 0.05 0.68 -3.33 0.00 0.00 175.10 172.47 1bqh s VAL 116 N 6.78 3.76 -1.21 2.04 -7.23 0.72 -4.86 120.40 120.40 1bqh s VAL 116 Ca 0.92 -0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 1bqh s VAL 116 Cb -0.33 -2.93 0.05 0.00 0.56 0.00 0.00 36.38 33.73 1bqh s VAL 116 CO 0.36 0.11 1.68 -2.16 -0.31 0.00 0.00 175.10 174.78 1bqh s PRO 117 N 1.47 3.78 -1.30 4.82 0.04 -1.26 0.27 135.00 142.82 1bqh s PRO 117 Ca 0.02 -1.69 -0.18 0.00 0.04 0.00 0.00 61.00 59.19 1bqh s PRO 117 Cb -0.17 -5.47 0.03 0.00 0.04 0.00 0.00 34.50 28.93 1bqh s PRO 117 CO 0.01 -2.36 1.90 1.33 0.04 0.00 0.00 177.00 177.91 1bqh n VAL 118 N 6.63 3.48 0.00 -0.36 0.24 -0.33 -3.34 118.33 124.65 1bqh n VAL 118 Ca 0.44 -3.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.29 1bqh n VAL 118 Cb 0.47 -2.40 0.00 0.00 -1.47 0.00 0.00 33.84 30.45 1bqh n VAL 118 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bqh n LEU 119 N 8.43 0.00 0.00 1.34 4.77 0.10 -4.08 117.00 127.56 1bqh n LEU 119 Ca 0.49 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 1bqh n LEU 119 Cb 0.44 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1bqh n LEU 119 CO 0.81 0.00 -0.00 0.00 -1.33 0.00 0.00 177.39 176.86 1bqh n GLN 120 N 0.00 0.02 0.00 3.23 0.00 -1.26 -3.61 117.38 115.76 1bqh n GLN 120 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 57.00 56.83 1bqh n GLN 120 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.38 1bqh n GLN 120 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1bqh n LYS 121 N -0.03 0.00 -0.61 2.61 2.85 -1.25 -4.68 118.16 117.04 1bqh n LYS 121 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1bqh n LYS 121 Cb 0.03 -0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.36 1bqh n LYS 121 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90