#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 4.06 0.06 1.61 0.04 -1.26 -3.83 135.00 135.68 1bqh s PRO 2 Ca 0.00 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 1bqh s PRO 2 Cb 0.00 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1bqh s PRO 2 CO 0.00 0.14 0.01 -1.01 0.04 0.00 0.00 177.00 176.18 1bqh s HIS 3 N -1.99 0.48 -0.24 0.56 3.76 0.13 -4.94 115.29 113.06 1bqh s HIS 3 Ca 0.55 -1.00 -0.19 0.00 -0.15 0.00 0.00 55.06 54.27 1bqh s HIS 3 Cb -0.10 -0.34 0.07 0.00 1.11 0.00 0.00 32.58 33.31 1bqh s HIS 3 CO 0.17 -0.41 0.62 -1.54 -0.85 0.00 0.00 174.74 172.73 1bqh s SER 4 N -2.92 -0.73 -0.15 1.40 1.04 -1.26 0.70 113.70 111.78 1bqh s SER 4 Ca 0.08 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 57.76 1bqh s SER 4 Cb 0.07 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.42 1bqh s SER 4 CO -0.09 -0.22 0.03 -0.22 0.98 0.00 0.00 173.24 173.71 1bqh s LEU 5 N 0.87 3.68 0.09 2.42 2.96 -0.78 -0.97 118.68 126.95 1bqh s LEU 5 Ca -0.04 0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.82 1bqh s LEU 5 Cb -0.05 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1bqh s LEU 5 CO -0.07 0.24 0.29 0.00 -1.32 0.00 0.00 176.35 175.49 1bqh s ARG 6 N -0.05 0.90 -0.09 1.98 1.70 -0.31 -0.30 118.95 122.78 1bqh s ARG 6 Ca 0.05 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1bqh s ARG 6 Cb -0.12 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1bqh s ARG 6 CO 0.01 -0.31 -0.10 0.71 -1.08 0.00 0.00 175.30 174.53 1bqh s TYR 7 N -3.44 1.53 -0.41 5.89 2.02 0.16 -0.00 117.35 123.09 1bqh s TYR 7 Ca 0.01 -0.69 -0.09 0.00 -0.37 0.00 0.00 57.07 55.94 1bqh s TYR 7 Cb 0.02 -1.19 0.08 0.00 -0.40 0.00 0.00 41.96 40.47 1bqh s TYR 7 CO -0.09 -0.42 0.25 -0.06 -1.57 0.00 0.00 175.55 173.66 1bqh s PHE 8 N 1.22 3.35 0.07 2.71 0.40 0.14 -1.84 117.98 124.03 1bqh s PHE 8 Ca -0.04 -1.58 0.03 0.00 -0.60 0.00 0.00 56.93 54.75 1bqh s PHE 8 Cb -0.14 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1bqh s PHE 8 CO -0.03 -0.85 0.04 0.14 0.70 0.00 0.00 175.22 175.22 1bqh s VAL 9 N 1.41 4.30 -0.04 -0.44 -7.23 -0.28 -1.66 120.40 116.46 1bqh s VAL 9 Ca 0.03 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1bqh s VAL 9 Cb -0.23 -3.04 0.03 0.00 0.56 0.00 0.00 36.38 33.70 1bqh s VAL 9 CO 0.02 0.17 0.08 -0.89 -0.31 0.00 0.00 175.10 174.16 1bqh s THR 10 N -1.31 -0.12 -0.53 5.32 2.01 0.90 -1.58 115.64 120.33 1bqh s THR 10 Ca 0.26 0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.64 1bqh s THR 10 Cb -0.12 -0.16 0.14 0.00 0.01 0.00 0.00 72.50 72.37 1bqh s THR 10 CO 0.19 0.14 0.30 0.00 -0.69 0.00 0.00 174.62 174.56 1bqh s ALA 11 N 1.82 2.99 -0.24 7.40 0.00 -0.27 -0.21 121.76 133.24 1bqh s ALA 11 Ca -0.00 -3.15 -0.13 0.00 0.00 0.00 0.00 51.96 48.68 1bqh s ALA 11 Cb -0.12 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1bqh s ALA 11 CO -0.04 -2.05 0.26 0.54 0.00 0.00 0.00 175.76 174.47 1bqh s VAL 12 N -0.33 5.28 0.40 0.00 0.11 -0.02 -2.57 120.40 123.28 1bqh s VAL 12 Ca 0.19 0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 1bqh s VAL 12 Cb -0.20 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 30.99 1bqh s VAL 12 CO -0.04 0.28 0.77 -0.94 -3.33 0.00 0.00 175.10 171.84 1bqh s SER 13 N 1.25 6.55 -0.41 3.54 1.04 -0.07 -0.31 113.70 125.29 1bqh s SER 13 Ca 0.12 1.16 0.04 0.00 0.48 0.00 0.00 55.95 57.75 1bqh s SER 13 Cb -0.15 -2.33 0.18 0.00 0.10 0.00 0.00 66.02 63.83 1bqh s SER 13 CO 0.07 -0.39 0.75 -0.60 0.98 0.00 0.00 173.24 174.05 1bqh s ARG 14 N -3.77 0.71 0.40 4.02 6.06 -1.26 -3.45 118.95 121.66 1bqh s ARG 14 Ca 0.52 -0.34 -0.25 0.00 -2.50 0.00 0.00 55.73 53.16 1bqh s ARG 14 Cb -0.10 0.06 -0.09 0.00 0.06 0.00 0.00 34.95 34.88 1bqh s ARG 14 CO 0.30 -0.99 1.11 -2.14 -2.50 0.00 0.00 175.30 171.08 1bqh s PRO 15 N 1.69 4.09 0.00 5.12 0.02 -1.26 -3.44 135.00 141.22 1bqh s PRO 15 Ca 0.18 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1bqh s PRO 15 Cb -0.01 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1bqh s PRO 15 CO -0.08 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1bqh n GLY 16 N 0.51 2.74 2.24 0.52 0.00 -1.26 -4.88 105.19 105.05 1bqh n GLY 16 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1bqh n GLY 16 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bqh n LEU 17 N 0.00 0.30 0.00 0.99 -0.00 -1.22 -5.12 117.00 111.95 1bqh n LEU 17 Ca 0.00 -4.77 0.00 0.00 -0.00 0.00 0.00 56.01 51.24 1bqh n LEU 17 Cb 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 1bqh n LEU 17 CO 0.00 2.19 0.00 0.61 -0.00 0.00 0.00 177.39 180.19 1bqh n GLY 18 N 0.73 0.56 3.93 1.47 0.00 -1.26 -4.98 105.19 105.63 1bqh n GLY 18 Ca 0.22 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1bqh n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bqh s GLU 19 N -1.72 0.83 0.28 1.61 0.41 -1.26 -4.41 118.70 114.43 1bqh s GLU 19 Ca 0.00 -0.33 -0.29 0.00 -0.41 0.00 0.00 54.97 53.93 1bqh s GLU 19 Cb 0.00 -1.86 -0.10 0.00 -1.78 0.00 0.00 34.13 30.39 1bqh s GLU 19 CO 0.00 -2.30 1.28 -1.25 -0.49 0.00 0.00 175.26 172.50 1bqh s PRO 20 N -5.85 4.41 0.01 0.39 0.04 -1.26 -4.55 135.00 128.19 1bqh s PRO 20 Ca 0.72 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 1bqh s PRO 20 Cb -0.05 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1bqh s PRO 20 CO 0.52 -0.15 0.47 0.50 0.04 0.00 0.00 177.00 178.38 1bqh s ARG 21 N -1.18 4.06 -0.10 4.56 3.52 0.58 -4.91 118.95 125.48 1bqh s ARG 21 Ca 0.51 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1bqh s ARG 21 Cb -0.38 -3.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1bqh s ARG 21 CO 0.46 0.61 -0.12 -0.47 -0.81 0.00 0.00 175.30 174.97 1bqh s TYR 22 N -0.87 1.71 -0.00 5.12 5.04 -1.26 -0.84 117.35 126.26 1bqh s TYR 22 Ca 0.26 -0.81 0.06 0.00 -2.44 0.00 0.00 57.07 54.14 1bqh s TYR 22 Cb -0.17 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1bqh s TYR 22 CO 0.15 -0.47 -0.19 -1.64 -1.34 0.00 0.00 175.55 172.06 1bqh s MET 23 N 1.21 1.51 -0.18 4.97 -1.94 0.70 -1.03 119.30 124.55 1bqh s MET 23 Ca -0.03 -0.75 -0.03 0.00 -1.71 0.00 0.00 55.69 53.18 1bqh s MET 23 Cb -0.14 -1.50 0.05 0.00 2.01 0.00 0.00 34.83 35.26 1bqh s MET 23 CO -0.04 0.40 0.03 -2.00 -0.01 0.00 0.00 175.02 173.40 1bqh s GLU 24 N -0.63 0.69 -0.02 2.03 2.12 -0.09 -0.07 118.70 122.72 1bqh s GLU 24 Ca 0.07 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.08 1bqh s GLU 24 Cb -0.08 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.34 1bqh s GLU 24 CO -0.00 -0.59 -0.15 0.54 -0.54 0.00 0.00 175.26 174.52 1bqh s VAL 25 N 1.86 1.22 0.22 3.70 0.11 -0.66 -1.16 120.40 125.69 1bqh s VAL 25 Ca -0.00 -0.63 0.09 0.00 -2.93 0.00 0.00 61.98 58.50 1bqh s VAL 25 Cb -0.16 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1bqh s VAL 25 CO -0.08 0.35 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.21 1bqh s GLY 26 N -0.17 1.67 0.01 6.54 0.00 -0.82 0.26 107.32 114.80 1bqh s GLY 26 Ca 0.02 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.24 1bqh s GLY 26 CO 0.00 -1.56 -0.05 -0.19 0.00 0.00 0.00 173.10 171.30 1bqh s TYR 27 N -2.03 0.46 -0.23 1.90 1.51 0.99 -2.76 117.35 117.19 1bqh s TYR 27 Ca 0.29 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1bqh s TYR 27 Cb -0.08 -0.29 0.06 0.00 -0.11 0.00 0.00 41.96 41.55 1bqh s TYR 27 CO 0.19 -0.04 -0.04 0.08 -1.11 0.00 0.00 175.55 174.63 1bqh s VAL 28 N -0.50 1.44 -1.22 0.71 1.01 0.28 -1.16 120.40 120.95 1bqh s VAL 28 Ca -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1bqh s VAL 28 Cb -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1bqh s VAL 28 CO -0.00 -0.13 0.55 0.47 0.00 0.00 0.00 175.10 175.99 1bqh n ASP 29 N 4.70 -5.24 -0.46 3.32 8.00 -0.14 -1.92 116.55 124.81 1bqh n ASP 29 Ca -0.11 -0.26 -0.06 0.00 0.71 0.00 0.00 54.79 55.07 1bqh n ASP 29 Cb 0.44 -4.05 -0.03 0.00 -0.02 0.00 0.00 41.12 37.46 1bqh n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bqh n ASP 30 N -1.69 -4.08 -4.24 -2.24 8.00 -1.26 -5.00 116.55 106.02 1bqh n ASP 30 Ca -0.08 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.24 1bqh n ASP 30 Cb 0.59 -2.11 -0.16 0.00 -0.02 0.00 0.00 41.12 39.42 1bqh n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bqh s THR 31 N -2.10 2.44 -0.06 -3.53 2.01 -0.81 -5.06 115.64 108.53 1bqh s THR 31 Ca 0.00 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1bqh s THR 31 Cb 0.00 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1bqh s THR 31 CO 0.00 0.53 1.52 -0.70 -0.69 0.00 0.00 174.62 175.28 1bqh s GLU 32 N 0.66 4.22 -0.00 4.92 2.12 -1.26 -0.56 118.70 128.80 1bqh s GLU 32 Ca -0.09 2.04 0.03 0.00 0.36 0.00 0.00 54.97 57.31 1bqh s GLU 32 Cb -0.16 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.36 1bqh s GLU 32 CO 0.02 -0.75 0.08 1.97 -0.54 0.00 0.00 175.26 176.04 1bqh n PHE 33 N 6.52 0.00 -3.99 5.30 -1.74 -1.11 -4.39 117.46 118.05 1bqh n PHE 33 Ca 0.16 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.96 1bqh n PHE 33 Cb 0.43 -0.06 -0.10 0.00 1.52 0.00 0.00 39.48 41.27 1bqh n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1bqh s VAL 34 N -2.10 0.16 0.21 1.97 -7.23 -1.25 0.19 120.40 112.36 1bqh s VAL 34 Ca -0.01 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 1bqh s VAL 34 Cb 0.02 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 36.02 1bqh s VAL 34 CO 0.13 -0.71 0.54 -0.60 -0.31 0.00 0.00 175.10 174.15 1bqh s ARG 35 N -2.80 1.46 -0.30 4.82 3.52 -0.51 -1.95 118.95 123.19 1bqh s ARG 35 Ca -0.03 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 54.53 1bqh s ARG 35 Cb -0.00 0.52 0.17 0.00 -1.56 0.00 0.00 34.95 34.08 1bqh s ARG 35 CO -0.06 -0.62 0.78 0.12 -0.81 0.00 0.00 175.30 174.71 1bqh s PHE 36 N -3.91 -1.14 -0.18 5.12 5.36 -0.31 -0.55 117.98 122.37 1bqh s PHE 36 Ca 0.12 1.54 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1bqh s PHE 36 Cb -0.01 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.21 1bqh s PHE 36 CO 0.01 -0.60 -0.19 0.34 -1.46 0.00 0.00 175.22 173.31 1bqh s ASP 37 N 2.80 3.22 0.61 6.13 -1.08 -1.26 -0.91 116.67 126.17 1bqh s ASP 37 Ca 0.05 -0.62 0.32 0.00 -0.52 0.00 0.00 52.55 51.78 1bqh s ASP 37 Cb -0.11 -1.50 1.84 0.00 -1.46 0.00 0.00 42.92 41.69 1bqh s ASP 37 CO -0.18 0.01 2.19 0.77 0.52 0.00 0.00 175.17 178.48 1bqh h SER 38 N 7.86 0.00 0.99 -0.34 4.64 -1.47 -0.75 113.55 124.47 1bqh h SER 38 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1bqh h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1bqh h SER 38 CO 0.62 0.00 -0.12 0.47 -0.87 0.00 0.00 176.83 176.94 1bqh n ASP 39 N -3.64 0.26 -4.51 4.97 8.00 -1.26 -4.76 116.55 115.61 1bqh n ASP 39 Ca -0.01 0.37 -0.31 0.00 0.71 0.00 0.00 54.79 55.55 1bqh n ASP 39 Cb 0.21 -0.39 0.17 0.00 -0.02 0.00 0.00 41.12 41.09 1bqh n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bqh n ALA 40 N -1.57 -2.16 0.02 2.24 0.00 -0.29 -4.92 120.51 113.83 1bqh n ALA 40 Ca 0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 1bqh n ALA 40 Cb 0.36 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 1bqh n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bqh h GLU 41 N -1.99 0.06 -3.05 0.00 4.57 -1.91 -3.30 114.58 108.95 1bqh h GLU 41 Ca -0.48 -0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.07 1bqh h GLU 41 Cb 1.30 -0.01 -0.42 0.00 -0.16 0.00 0.00 28.75 29.46 1bqh h GLU 41 CO 0.40 0.11 -0.61 1.21 -1.18 0.00 0.00 179.01 178.94 1bqh s ASN 42 N -5.31 4.47 -0.67 1.04 3.84 -1.26 -5.06 114.94 112.00 1bqh s ASN 42 Ca -0.13 -3.70 -0.31 0.00 0.21 0.00 0.00 52.86 48.93 1bqh s ASN 42 Cb 0.06 -1.52 -0.15 0.00 -0.55 0.00 0.00 41.25 39.09 1bqh s ASN 42 CO 0.67 -0.11 2.47 -0.81 -2.79 0.00 0.00 177.10 176.53 1bqh n PRO 43 N 2.17 0.56 -3.76 0.43 -0.04 -1.25 -4.87 135.00 128.24 1bqh n PRO 43 Ca 0.19 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 1bqh n PRO 43 Cb 0.36 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 1bqh n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1bqh s ARG 44 N 7.99 1.33 0.29 0.54 1.70 -1.26 -5.03 118.95 124.51 1bqh s ARG 44 Ca 1.17 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 55.43 1bqh s ARG 44 Cb -0.85 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 33.90 1bqh s ARG 44 CO 0.43 -0.61 1.07 0.71 -1.08 0.00 0.00 175.30 175.82 1bqh s TYR 45 N -3.44 3.60 -0.02 5.89 2.02 -1.26 -4.42 117.35 119.73 1bqh s TYR 45 Ca 0.11 1.73 -0.05 0.00 -0.37 0.00 0.00 57.07 58.50 1bqh s TYR 45 Cb -0.02 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 1bqh s TYR 45 CO 0.03 -0.39 0.10 -1.21 -1.57 0.00 0.00 175.55 172.51 1bqh s GLU 46 N -1.56 0.29 0.56 -0.62 2.02 0.29 -4.93 118.70 114.75 1bqh s GLU 46 Ca 0.46 -0.17 -0.19 0.00 0.02 0.00 0.00 54.97 55.09 1bqh s GLU 46 Cb -0.30 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.01 1bqh s GLU 46 CO 0.38 -0.06 1.11 -1.25 0.02 0.00 0.00 175.26 175.46 1bqh s PRO 47 N -0.72 3.32 0.00 0.39 0.04 -1.26 -1.42 135.00 135.35 1bqh s PRO 47 Ca -0.08 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1bqh s PRO 47 Cb -0.05 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1bqh s PRO 47 CO 0.01 -0.86 0.21 0.54 0.04 0.00 0.00 177.00 176.94 1bqh n ARG 48 N -1.50 4.59 -4.98 4.56 5.12 0.13 -4.86 116.66 119.71 1bqh n ARG 48 Ca 0.11 -0.16 -0.27 0.00 -1.93 0.00 0.00 57.85 55.60 1bqh n ARG 48 Cb 0.51 -0.71 -0.15 0.00 -1.16 0.00 0.00 32.46 30.95 1bqh n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bqh s ALA 49 N -0.96 1.79 0.23 7.54 0.00 -1.25 -4.87 121.76 124.24 1bqh s ALA 49 Ca 0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1bqh s ALA 49 Cb 0.02 -0.44 0.35 0.00 0.00 0.00 0.00 23.12 23.06 1bqh s ALA 49 CO 0.07 0.43 1.77 0.00 0.00 0.00 0.00 175.76 178.03 1bqh h ARG 50 N 5.46 0.53 0.00 0.00 2.47 -1.96 0.86 114.38 121.75 1bqh h ARG 50 Ca -0.40 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1bqh h ARG 50 Cb 1.14 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1bqh h ARG 50 CO 0.47 0.35 0.00 -2.67 0.56 0.00 0.00 179.97 178.68 1bqh n TRP 51 N -4.90 0.00 -0.01 3.04 4.27 -1.26 -1.46 117.44 117.12 1bqh n TRP 51 Ca 0.11 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.80 1bqh n TRP 51 Cb 0.30 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.13 1bqh n TRP 51 CO 0.00 0.00 0.00 -0.12 -2.29 0.00 0.00 177.69 175.28 1bqh n MET 52 N -0.55 0.46 0.00 -2.67 1.56 0.29 -4.43 117.12 111.79 1bqh n MET 52 Ca 0.01 -0.14 0.06 0.00 -0.27 0.00 0.00 57.70 57.36 1bqh n MET 52 Cb 0.00 -1.36 0.26 0.00 2.15 0.00 0.00 33.22 34.27 1bqh n MET 52 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1bqh n GLU 53 N -2.02 0.00 -0.09 2.12 1.02 -0.53 -2.95 120.64 118.19 1bqh n GLU 53 Ca -0.03 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1bqh n GLU 53 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1bqh n GLU 53 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1bqh h GLN 54 N 0.00 0.45 -6.24 3.49 4.20 -1.77 -3.43 115.11 111.80 1bqh h GLN 54 Ca 0.00 -0.13 -0.69 0.00 0.06 0.00 0.00 58.65 57.89 1bqh h GLN 54 Cb 0.21 -0.05 0.06 0.00 0.30 0.00 0.00 27.48 28.00 1bqh h GLN 54 CO 0.00 0.60 0.36 0.39 -0.67 0.00 0.00 178.83 179.51 1bqh n GLU 55 N -4.64 0.99 -1.60 1.46 -0.58 -1.15 -4.94 120.64 110.18 1bqh n GLU 55 Ca -0.03 0.36 -0.30 0.00 -0.42 0.00 0.00 57.16 56.76 1bqh n GLU 55 Cb 0.23 -1.95 0.23 0.00 -0.57 0.00 0.00 31.44 29.37 1bqh n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1bqh s GLY 56 N 0.33 1.73 0.39 0.62 0.00 -1.26 -4.89 107.32 104.24 1bqh s GLY 56 Ca 0.83 -1.24 0.10 0.00 0.00 0.00 0.00 44.72 44.41 1bqh s GLY 56 CO 0.49 -0.36 1.95 -2.55 0.00 0.00 0.00 173.10 172.64 1bqh h PRO 57 N -2.16 0.59 -0.98 2.90 0.11 -1.97 -2.12 132.00 128.36 1bqh h PRO 57 Ca -0.43 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1bqh h PRO 57 Cb 1.24 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1bqh h PRO 57 CO 0.30 0.39 0.64 1.05 -0.21 0.00 0.00 178.00 180.17 1bqh h GLU 58 N 0.60 1.13 -0.07 1.05 9.09 -2.00 -1.54 114.58 122.85 1bqh h GLU 58 Ca 0.32 -0.07 -0.01 0.00 0.05 0.00 0.00 59.36 59.65 1bqh h GLU 58 Cb 0.44 -0.26 -0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1bqh h GLU 58 CO -0.11 0.75 -0.01 -0.92 0.05 0.00 0.00 179.01 178.78 1bqh h TYR 59 N 1.17 0.13 0.00 2.06 5.03 -1.73 -2.76 116.97 120.87 1bqh h TYR 59 Ca 0.42 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.69 1bqh h TYR 59 Cb 0.14 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1bqh h TYR 59 CO -0.00 0.41 -0.05 -1.49 -1.32 0.00 0.00 178.16 175.71 1bqh h TRP 60 N -0.18 0.00 0.12 -3.82 4.06 -1.46 -2.34 115.95 112.33 1bqh h TRP 60 Ca 0.02 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.70 1bqh h TRP 60 Cb 0.36 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1bqh h TRP 60 CO 0.04 0.05 -1.12 0.93 -3.56 0.00 0.00 178.44 174.79 1bqh h GLU 61 N 0.00 0.54 -0.50 0.49 5.08 -1.21 -1.98 114.58 117.00 1bqh h GLU 61 Ca -0.00 -0.75 -0.03 0.00 -1.00 0.00 0.00 59.36 57.58 1bqh h GLU 61 Cb 0.40 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1bqh h GLU 61 CO 0.01 1.33 0.19 -0.09 -1.00 0.00 0.00 179.01 179.45 1bqh h ARG 62 N 0.12 0.76 -0.43 2.33 9.65 -1.20 -1.52 114.38 124.09 1bqh h ARG 62 Ca -0.17 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.42 1bqh h ARG 62 Cb 1.82 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.27 1bqh h ARG 62 CO 0.21 0.68 -0.27 0.93 2.80 0.00 0.00 179.97 184.33 1bqh h GLU 63 N 0.67 0.94 -0.89 0.20 4.39 -1.49 -1.93 114.58 116.47 1bqh h GLU 63 Ca 0.17 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 1bqh h GLU 63 Cb 0.22 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1bqh h GLU 63 CO -0.01 1.10 0.47 1.15 -1.16 0.00 0.00 179.01 180.56 1bqh h THR 64 N 0.77 1.26 0.20 1.13 2.02 -1.20 -0.30 112.91 116.79 1bqh h THR 64 Ca 0.09 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1bqh h THR 64 Cb 0.85 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1bqh h THR 64 CO 0.08 0.30 -0.10 -0.61 0.37 0.00 0.00 175.52 175.56 1bqh h GLN 65 N 1.25 -0.26 -0.61 6.66 -0.00 -1.13 0.35 115.11 121.36 1bqh h GLN 65 Ca 0.31 0.02 0.12 0.00 -0.00 0.00 0.00 58.65 59.10 1bqh h GLN 65 Cb 0.05 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.50 1bqh h GLN 65 CO -0.05 -0.12 0.11 0.87 0.00 0.00 0.00 178.83 179.64 1bqh h LYS 66 N -0.34 0.22 -0.34 1.69 1.57 -0.87 0.76 116.57 119.25 1bqh h LYS 66 Ca -0.03 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1bqh h LYS 66 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1bqh h LYS 66 CO 0.05 0.15 -0.02 0.00 -0.57 0.00 0.00 179.45 179.06 1bqh h ALA 67 N 1.51 0.47 -0.81 3.86 0.00 -0.73 0.43 119.26 123.98 1bqh h ALA 67 Ca 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bqh h ALA 67 Cb 0.50 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1bqh h ALA 67 CO -0.44 0.24 0.49 0.87 0.00 0.00 0.00 179.25 180.42 1bqh h LYS 68 N 0.42 1.10 -0.14 0.00 1.79 0.84 0.31 116.57 120.90 1bqh h LYS 68 Ca 0.10 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1bqh h LYS 68 Cb 0.48 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1bqh h LYS 68 CO 0.02 0.77 -0.24 0.78 -1.08 0.00 0.00 179.45 179.70 1bqh h GLY 69 N 1.14 0.45 0.75 3.86 0.00 0.80 -3.16 103.07 106.90 1bqh h GLY 69 Ca 0.29 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1bqh h GLY 69 CO -0.06 0.47 -0.04 3.43 0.00 0.00 0.00 176.54 180.34 1bqh h ASN 70 N 0.01 0.28 -1.06 0.19 4.21 0.23 -2.89 115.58 116.55 1bqh h ASN 70 Ca 0.01 -0.38 0.33 0.00 1.21 0.00 0.00 56.30 57.47 1bqh h ASN 70 Cb 0.83 -0.08 -0.14 0.00 -1.12 0.00 0.00 38.32 37.81 1bqh h ASN 70 CO 0.06 0.60 0.63 1.05 -1.29 0.00 0.00 177.43 178.47 1bqh h GLU 71 N -0.04 0.28 -0.02 0.81 4.11 -0.47 0.27 114.58 119.53 1bqh h GLU 71 Ca 0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1bqh h GLU 71 Cb 0.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1bqh h GLU 71 CO 0.02 0.19 -0.09 0.37 0.07 0.00 0.00 179.01 179.56 1bqh h GLN 72 N 0.29 0.10 0.00 1.06 5.75 -1.50 -3.05 115.11 117.76 1bqh h GLN 72 Ca 0.73 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 59.15 1bqh h GLN 72 Cb 1.81 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.38 1bqh h GLN 72 CO -0.53 0.74 -0.03 0.66 -2.65 0.00 0.00 178.83 177.02 1bqh h SER 73 N -0.52 0.00 1.45 -0.69 4.64 -0.67 -2.10 113.55 115.66 1bqh h SER 73 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1bqh h SER 73 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1bqh h SER 73 CO 0.02 0.03 -0.57 -0.26 -0.87 0.00 0.00 176.83 175.18 1bqh h PHE 74 N 0.00 0.00 -0.32 4.77 -1.00 -0.60 -3.08 116.94 116.70 1bqh h PHE 74 Ca -0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1bqh h PHE 74 Cb 0.36 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1bqh h PHE 74 CO 0.00 0.36 -0.14 0.00 -1.61 0.00 0.00 178.31 176.92 1bqh h ARG 75 N 0.00 0.57 -0.19 1.51 3.08 -1.26 -2.14 114.38 115.95 1bqh h ARG 75 Ca -0.03 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 1bqh h ARG 75 Cb 1.30 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1bqh h ARG 75 CO 0.04 0.70 -0.28 -0.39 -1.07 0.00 0.00 179.97 178.97 1bqh h VAL 76 N 0.52 1.34 -0.98 2.04 -1.51 -1.56 -3.00 116.25 113.09 1bqh h VAL 76 Ca 0.09 -1.50 0.24 0.00 -1.23 0.00 0.00 66.70 64.31 1bqh h VAL 76 Cb 0.55 1.86 -0.08 0.00 -2.13 0.00 0.00 31.29 31.49 1bqh h VAL 76 CO 0.03 0.46 0.65 0.44 -1.23 0.00 0.00 177.57 177.92 1bqh h ASP 77 N 0.18 0.40 0.52 4.19 3.32 -1.38 2.24 116.42 125.89 1bqh h ASP 77 Ca 0.02 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1bqh h ASP 77 Cb 0.86 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1bqh h ASP 77 CO 0.07 0.12 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.03 1bqh h LEU 78 N 0.38 0.10 0.21 1.55 3.38 -1.26 -0.04 115.31 119.63 1bqh h LEU 78 Ca 0.53 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 58.14 1bqh h LEU 78 Cb 1.38 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 42.13 1bqh h LEU 78 CO -0.22 0.68 -1.43 0.03 0.09 0.00 0.00 178.44 177.59 1bqh h ARG 79 N 0.06 0.45 -0.89 1.13 3.08 0.13 -2.67 114.38 115.68 1bqh h ARG 79 Ca -0.01 -0.77 0.05 0.00 0.07 0.00 0.00 59.98 59.32 1bqh h ARG 79 Cb 1.09 0.29 -0.06 0.00 0.08 0.00 0.00 29.97 31.37 1bqh h ARG 79 CO 0.08 1.37 0.57 1.15 -1.07 0.00 0.00 179.97 182.07 1bqh h THR 80 N 0.02 1.11 0.00 2.04 2.02 0.32 -0.82 112.91 117.59 1bqh h THR 80 Ca -0.26 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1bqh h THR 80 Cb 2.04 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1bqh h THR 80 CO 0.22 0.20 -0.27 -0.07 0.37 0.00 0.00 175.52 175.96 1bqh h LEU 81 N 1.07 0.00 -0.92 2.58 4.07 -1.06 -2.37 115.31 118.67 1bqh h LEU 81 Ca 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.27 1bqh h LEU 81 Cb 0.07 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1bqh h LEU 81 CO -0.14 0.27 0.18 0.25 -1.08 0.00 0.00 178.44 177.92 1bqh h LEU 82 N 0.00 0.91 0.18 1.67 5.85 -0.78 -2.28 115.31 120.85 1bqh h LEU 82 Ca -0.00 -0.16 -0.26 0.00 0.84 0.00 0.00 57.88 58.29 1bqh h LEU 82 Cb 0.82 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 41.65 1bqh h LEU 82 CO 0.04 0.86 -1.13 1.23 -0.34 0.00 0.00 178.44 179.10 1bqh h GLY 83 N 1.04 0.52 0.78 3.75 0.00 -1.25 1.04 103.07 108.95 1bqh h GLY 83 Ca 0.21 -1.25 0.08 0.00 0.00 0.00 0.00 47.33 46.37 1bqh h GLY 83 CO -0.01 1.10 0.57 -0.97 0.00 0.00 0.00 176.54 177.23 1bqh h TYR 84 N -0.05 0.97 0.00 5.60 -1.99 -1.38 -1.78 116.97 118.33 1bqh h TYR 84 Ca -0.19 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1bqh h TYR 84 Cb 1.87 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 40.29 1bqh h TYR 84 CO 0.16 0.47 -1.20 0.66 -0.00 0.00 0.00 178.16 178.25 1bqh n TYR 85 N -4.51 0.00 -3.35 4.88 4.01 -0.86 -4.84 117.16 112.49 1bqh n TYR 85 Ca 0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.71 1bqh n TYR 85 Cb 0.27 -0.14 0.05 0.00 -0.31 0.00 0.00 39.34 39.21 1bqh n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1bqh n ASN 86 N -1.67 -6.45 -4.76 7.72 4.05 0.33 -5.02 115.26 109.45 1bqh n ASN 86 Ca 0.01 -0.70 -0.25 0.00 0.45 0.00 0.00 54.58 54.09 1bqh n ASN 86 Cb 0.36 -4.66 -0.06 0.00 1.23 0.00 0.00 39.78 36.65 1bqh n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1bqh s GLN 87 N -4.60 2.76 0.72 1.20 -0.21 0.48 -4.99 119.66 115.02 1bqh s GLN 87 Ca 0.38 -0.99 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 1bqh s GLN 87 Cb -0.08 -2.54 0.19 0.00 1.00 0.00 0.00 33.01 31.58 1bqh s GLN 87 CO 0.78 0.46 0.51 -1.13 -2.12 0.00 0.00 175.29 173.78 1bqh n SER 88 N -0.47 -2.51 -4.03 5.90 3.41 -1.26 -4.80 113.62 109.85 1bqh n SER 88 Ca -0.08 -0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 57.57 1bqh n SER 88 Cb 0.56 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1bqh n SER 88 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bqh s LYS 89 N -4.18 2.39 0.00 4.33 1.02 -1.26 -4.60 119.74 117.43 1bqh s LYS 89 Ca 0.36 -2.67 0.00 0.00 0.02 0.00 0.00 55.97 53.68 1bqh s LYS 89 Cb -0.05 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 1bqh s LYS 89 CO 0.29 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 1bqh n GLY 90 N 3.17 0.24 3.59 -3.33 0.00 -1.26 -5.06 105.19 102.53 1bqh n GLY 90 Ca 0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1bqh n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bqh s GLY 91 N 0.00 1.67 0.43 -0.02 0.00 -1.26 -4.47 107.32 103.67 1bqh s GLY 91 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 1bqh s GLY 91 CO 0.00 1.73 1.36 -1.14 0.00 0.00 0.00 173.10 175.05 1bqh n SER 92 N 6.36 3.01 -4.39 1.64 3.41 -1.26 -4.93 113.62 117.46 1bqh n SER 92 Ca 0.03 1.13 -0.22 0.00 -0.26 0.00 0.00 58.87 59.55 1bqh n SER 92 Cb 0.48 -1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 1bqh n SER 92 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1bqh s HIS 93 N -1.18 1.88 -0.15 7.33 3.76 -1.22 -4.99 115.29 120.72 1bqh s HIS 93 Ca 0.60 -1.03 -0.13 0.00 -0.15 0.00 0.00 55.06 54.35 1bqh s HIS 93 Cb -0.48 -1.22 0.04 0.00 1.11 0.00 0.00 32.58 32.03 1bqh s HIS 93 CO 0.59 -0.08 0.38 -0.08 -0.85 0.00 0.00 174.74 174.70 1bqh s THR 94 N -3.34 -0.00 -0.10 1.30 -1.32 -1.26 -0.89 115.64 110.02 1bqh s THR 94 Ca 0.35 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.88 1bqh s THR 94 Cb 0.08 -0.54 -0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1bqh s THR 94 CO 0.15 0.01 -0.23 -0.51 -2.21 0.00 0.00 174.62 171.82 1bqh s ILE 95 N 0.35 2.11 0.33 5.08 1.10 -1.06 0.10 121.20 129.21 1bqh s ILE 95 Ca -0.01 -1.00 0.06 0.00 -0.51 0.00 0.00 60.65 59.18 1bqh s ILE 95 Cb -0.03 -1.80 -0.07 0.00 0.15 0.00 0.00 42.46 40.71 1bqh s ILE 95 CO -0.01 0.56 -0.00 -1.10 -2.11 0.00 0.00 174.94 172.28 1bqh s GLN 96 N 0.32 1.71 -0.28 3.50 -0.21 0.15 -1.12 119.66 123.72 1bqh s GLN 96 Ca -0.18 -1.92 -0.22 0.00 0.02 0.00 0.00 55.36 53.06 1bqh s GLN 96 Cb -0.18 -1.20 0.13 0.00 1.00 0.00 0.00 33.01 32.76 1bqh s GLN 96 CO 0.09 -0.06 1.01 0.54 -2.12 0.00 0.00 175.29 174.75 1bqh s VAL 97 N -3.02 0.00 -0.12 1.09 0.11 -0.62 -1.33 120.40 116.52 1bqh s VAL 97 Ca 0.34 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.42 1bqh s VAL 97 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1bqh s VAL 97 CO 0.15 0.00 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.07 1bqh s ILE 98 N 0.61 2.12 -0.16 7.04 1.01 -0.31 -1.12 121.20 130.39 1bqh s ILE 98 Ca -0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1bqh s ILE 98 Cb -0.05 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.64 1bqh s ILE 98 CO -0.10 0.55 0.41 -0.94 0.00 0.00 0.00 174.94 174.87 1bqh s SER 99 N 0.57 -0.45 0.00 3.58 1.04 -0.77 0.67 113.70 118.35 1bqh s SER 99 Ca -0.13 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1bqh s SER 99 Cb -0.17 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1bqh s SER 99 CO 0.04 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1bqh n GLY 100 N 3.17 -0.61 3.17 7.32 0.00 -0.75 0.36 105.19 117.86 1bqh n GLY 100 Ca -0.15 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1bqh n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqh s GLU 102 N -2.92 3.05 -0.18 0.00 2.02 0.12 -1.87 118.70 118.93 1bqh s GLU 102 Ca -0.02 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 1bqh s GLU 102 Cb 0.01 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1bqh s GLU 102 CO -0.06 0.08 -0.03 0.08 0.02 0.00 0.00 175.26 175.36 1bqh s VAL 103 N 0.58 3.84 1.00 2.63 1.01 0.22 0.16 120.40 129.84 1bqh s VAL 103 Ca -0.13 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1bqh s VAL 103 Cb -0.17 -2.71 0.19 0.00 0.00 0.00 0.00 36.38 33.70 1bqh s VAL 103 CO 0.03 0.46 1.08 -0.83 0.00 0.00 0.00 175.10 175.85 1bqh s GLY 104 N 0.71 1.59 0.64 4.51 0.00 -0.23 -0.69 107.32 113.86 1bqh s GLY 104 Ca -0.01 -0.12 0.36 0.00 0.00 0.00 0.00 44.72 44.95 1bqh s GLY 104 CO 0.02 0.46 2.18 1.48 0.00 0.00 0.00 173.10 177.25 1bqh h SER 105 N -1.97 0.00 1.01 1.64 4.64 -1.90 0.10 113.55 117.07 1bqh h SER 105 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1bqh h SER 105 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1bqh h SER 105 CO 0.53 0.00 -0.43 -0.90 -0.87 0.00 0.00 176.83 175.16 1bqh n ASP 106 N -3.27 0.69 0.00 4.97 5.75 -1.26 -4.28 116.55 119.15 1bqh n ASP 106 Ca -0.02 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1bqh n ASP 106 Cb 0.21 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1bqh n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bqh n GLY 107 N 1.35 2.77 3.56 6.12 0.00 0.35 -5.09 105.19 114.26 1bqh n GLY 107 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1bqh n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bqh s ARG 108 N -0.49 -0.75 -0.18 1.61 3.00 -1.26 -4.68 118.95 116.20 1bqh s ARG 108 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 55.73 55.96 1bqh s ARG 108 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 34.95 33.30 1bqh s ARG 108 CO 0.00 -3.49 0.43 -1.17 0.00 0.00 0.00 175.30 171.07 1bqh s LEU 109 N -6.94 4.18 -0.07 2.53 2.96 -1.26 -1.06 118.68 119.01 1bqh s LEU 109 Ca 0.68 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1bqh s LEU 109 Cb -0.18 -2.58 -0.26 0.00 0.50 0.00 0.00 46.19 43.68 1bqh s LEU 109 CO 0.59 -0.07 0.56 0.25 -1.32 0.00 0.00 176.35 176.36 1bqh h LEU 110 N 7.48 0.32 -7.00 -0.68 7.12 0.12 -3.45 115.31 119.21 1bqh h LEU 110 Ca -0.37 -0.63 0.17 0.00 0.13 0.00 0.00 57.88 57.18 1bqh h LEU 110 Cb 1.16 -0.10 -0.25 0.00 -0.53 0.00 0.00 40.66 40.94 1bqh h LEU 110 CO 0.73 1.56 0.77 0.00 -0.13 0.00 0.00 178.44 181.36 1bqh s ARG 111 N -2.58 0.31 0.02 1.25 1.70 -1.05 -4.97 118.95 113.63 1bqh s ARG 111 Ca -0.15 0.06 0.07 0.00 -0.47 0.00 0.00 55.73 55.24 1bqh s ARG 111 Cb 0.07 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 1bqh s ARG 111 CO 0.81 -0.10 -0.20 0.20 -1.08 0.00 0.00 175.30 174.93 1bqh s GLY 112 N -1.12 1.04 0.24 3.88 0.00 -1.26 0.13 107.32 110.22 1bqh s GLY 112 Ca 0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 1bqh s GLY 112 CO -0.04 -0.85 0.45 -2.52 0.00 0.00 0.00 173.10 170.15 1bqh s TYR 113 N -0.64 0.38 -0.30 1.90 -0.85 -0.47 -4.82 117.35 112.54 1bqh s TYR 113 Ca 0.07 -0.73 -0.10 0.00 -0.52 0.00 0.00 57.07 55.79 1bqh s TYR 113 Cb -0.08 0.15 0.15 0.00 0.38 0.00 0.00 41.96 42.56 1bqh s TYR 113 CO 0.01 -0.95 0.76 -1.14 -1.52 0.00 0.00 175.55 172.71 1bqh s GLN 114 N -4.01 0.47 -0.10 -3.49 0.74 -1.25 -1.81 119.66 110.21 1bqh s GLN 114 Ca 0.22 1.12 0.02 0.00 0.05 0.00 0.00 55.36 56.76 1bqh s GLN 114 Cb -0.00 0.66 0.01 0.00 1.10 0.00 0.00 33.01 34.79 1bqh s GLN 114 CO 0.08 -0.23 -0.14 -0.65 -0.55 0.00 0.00 175.29 173.80 1bqh s GLN 115 N 2.76 2.00 0.05 1.67 -0.21 0.21 -1.44 119.66 124.72 1bqh s GLN 115 Ca -0.01 -0.49 -0.00 0.00 0.02 0.00 0.00 55.36 54.88 1bqh s GLN 115 Cb -0.11 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1bqh s GLN 115 CO -0.18 -0.05 0.20 0.71 -2.12 0.00 0.00 175.29 173.85 1bqh s TYR 116 N 0.95 3.51 -0.23 0.91 1.51 0.56 -1.17 117.35 123.39 1bqh s TYR 116 Ca -0.08 0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1bqh s TYR 116 Cb -0.15 -1.76 0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1bqh s TYR 116 CO -0.00 0.59 0.33 0.00 -1.11 0.00 0.00 175.55 175.36 1bqh s ALA 117 N -1.48 -0.83 -0.18 3.71 0.00 -0.44 -0.86 121.76 121.68 1bqh s ALA 117 Ca 0.34 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1bqh s ALA 117 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1bqh s ALA 117 CO 0.27 -1.22 0.54 -0.47 0.00 0.00 0.00 175.76 174.88 1bqh s TYR 118 N 2.48 3.40 -1.44 0.00 5.04 -0.28 -0.68 117.35 125.87 1bqh s TYR 118 Ca 0.10 0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 55.49 1bqh s TYR 118 Cb -0.15 -2.68 0.05 0.00 0.35 0.00 0.00 41.96 39.52 1bqh s TYR 118 CO -0.14 -0.07 0.80 -0.25 -1.34 0.00 0.00 175.55 174.55 1bqh n ASP 119 N 4.64 -2.82 0.00 4.32 9.92 0.28 -1.63 116.55 131.26 1bqh n ASP 119 Ca -0.04 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 1bqh n ASP 119 Cb 0.50 -3.80 0.00 0.00 -0.64 0.00 0.00 41.12 37.18 1bqh n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bqh n GLY 120 N -1.67 2.39 3.90 0.44 0.00 -1.26 -4.99 105.19 104.01 1bqh n GLY 120 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1bqh n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqh n ASP 122 N 0.77 2.42 0.03 0.00 9.92 -1.26 -1.12 116.55 127.30 1bqh n ASP 122 Ca -0.09 1.10 -0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1bqh n ASP 122 Cb 0.52 -1.49 -0.00 0.00 -0.64 0.00 0.00 41.12 39.52 1bqh n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bqh n TYR 123 N -0.25 0.00 -3.68 1.24 9.36 -0.04 -4.69 117.16 119.11 1bqh n TYR 123 Ca 0.07 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.15 1bqh n TYR 123 Cb 0.40 -0.01 -0.07 0.00 -0.63 0.00 0.00 39.34 39.02 1bqh n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1bqh s ILE 124 N -1.68 0.04 -0.03 2.97 2.07 -1.23 -1.55 121.20 121.79 1bqh s ILE 124 Ca -0.01 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 58.70 1bqh s ILE 124 Cb 0.00 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.82 1bqh s ILE 124 CO 0.01 -0.19 0.38 0.00 -1.91 0.00 0.00 174.94 173.23 1bqh s ALA 125 N -1.61 -0.98 -0.08 1.50 0.00 -1.11 -0.32 121.76 119.17 1bqh s ALA 125 Ca -0.11 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1bqh s ALA 125 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bqh s ALA 125 CO 0.04 -0.28 1.05 -1.17 0.00 0.00 0.00 175.76 175.40 1bqh s LEU 126 N -1.23 4.27 0.98 0.00 2.96 -0.52 -1.31 118.68 123.83 1bqh s LEU 126 Ca -0.12 1.62 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 1bqh s LEU 126 Cb -0.04 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.27 1bqh s LEU 126 CO 0.05 -0.46 1.08 0.20 -1.32 0.00 0.00 176.35 175.91 1bqh s ASN 127 N 1.17 2.68 0.55 3.68 0.01 -0.54 -4.47 114.94 118.01 1bqh s ASN 127 Ca 0.51 1.50 0.30 0.00 -0.71 0.00 0.00 52.86 54.46 1bqh s ASN 127 Cb -0.20 -2.17 1.58 0.00 0.41 0.00 0.00 41.25 40.87 1bqh s ASN 127 CO 0.20 -3.14 2.12 -0.33 -1.51 0.00 0.00 177.10 174.44 1bqh h GLU 128 N -1.89 0.00 0.00 -0.60 5.08 -1.89 -0.88 114.58 114.40 1bqh h GLU 128 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1bqh h GLU 128 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1bqh h GLU 128 CO 0.53 0.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.22 1bqh n ASP 129 N -3.57 0.14 -2.35 1.42 5.75 -1.26 -4.87 116.55 111.81 1bqh n ASP 129 Ca -0.02 0.53 -0.17 0.00 -0.01 0.00 0.00 54.79 55.12 1bqh n ASP 129 Cb 0.21 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.72 1bqh n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1bqh n LEU 130 N -1.65 -1.59 0.00 -2.12 4.32 -0.34 -4.71 117.00 110.91 1bqh n LEU 130 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1bqh n LEU 130 Cb 0.19 -2.61 0.00 0.00 -1.62 0.00 0.00 43.42 39.38 1bqh n LEU 130 CO 0.15 -0.24 0.00 0.29 -1.22 0.00 0.00 177.39 176.37 1bqh n LYS 131 N -2.87 3.34 -4.29 3.23 5.02 -1.26 -4.68 118.16 116.65 1bqh n LYS 131 Ca -0.20 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.84 1bqh n LYS 131 Cb 0.65 -0.46 -0.08 0.00 -0.02 0.00 0.00 35.03 35.12 1bqh n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bqh s THR 132 N -0.39 2.72 0.27 -0.18 -4.23 -1.26 -4.76 115.64 107.81 1bqh s THR 132 Ca 0.00 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1bqh s THR 132 Cb 0.00 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1bqh s THR 132 CO 0.00 -0.20 -0.12 0.26 -0.54 0.00 0.00 174.62 174.02 1bqh s TRP 133 N -2.50 2.45 -0.32 3.99 0.52 -1.26 -1.47 118.94 120.35 1bqh s TRP 133 Ca 0.35 -0.29 -0.00 0.00 0.02 0.00 0.00 56.10 56.18 1bqh s TRP 133 Cb -0.01 -1.07 0.10 0.00 -1.15 0.00 0.00 33.47 31.34 1bqh s TRP 133 CO 0.20 0.68 0.11 0.99 0.02 0.00 0.00 176.95 178.95 1bqh s THR 134 N -2.42 0.93 0.43 2.01 2.01 -0.42 -4.86 115.64 113.31 1bqh s THR 134 Ca 0.30 -1.50 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 1bqh s THR 134 Cb -0.06 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.66 1bqh s THR 134 CO 0.17 -0.70 1.01 0.00 -0.69 0.00 0.00 174.62 174.42 1bqh s ALA 135 N 1.51 3.00 -0.11 7.40 0.00 -1.26 -2.74 121.76 129.56 1bqh s ALA 135 Ca 0.10 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1bqh s ALA 135 Cb -0.18 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 1bqh s ALA 135 CO -0.23 -0.14 0.40 0.00 0.00 0.00 0.00 175.76 175.79 1bqh n ALA 136 N -0.50 1.35 -3.05 0.00 0.00 -0.59 -4.98 120.51 112.73 1bqh n ALA 136 Ca 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 1bqh n ALA 136 Cb 0.52 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 19.35 1bqh n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bqh n ASP 137 N -3.11 -0.04 0.19 0.00 5.68 -1.26 -5.05 116.55 112.95 1bqh n ASP 137 Ca -0.26 -1.10 0.04 0.00 -0.50 0.00 0.00 54.79 52.97 1bqh n ASP 137 Cb 1.07 0.09 0.37 0.00 -1.14 0.00 0.00 41.12 41.50 1bqh n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1bqh h MET 138 N 0.00 0.00 -0.43 0.11 2.86 -1.97 -2.70 114.93 112.80 1bqh h MET 138 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1bqh h MET 138 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1bqh h MET 138 CO 0.02 0.38 -0.24 0.00 1.06 0.00 0.00 176.91 178.13 1bqh h ALA 139 N 1.62 0.77 -0.22 6.32 0.00 -1.97 -2.59 119.26 123.18 1bqh h ALA 139 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1bqh h ALA 139 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bqh h ALA 139 CO 0.05 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.74 1bqh h ALA 140 N 0.96 1.23 -0.77 0.00 0.00 -1.79 -2.56 119.26 116.33 1bqh h ALA 140 Ca 0.10 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1bqh h ALA 140 Cb 0.79 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1bqh h ALA 140 CO 0.07 0.50 0.51 -0.07 0.00 0.00 0.00 179.25 180.26 1bqh h LEU 141 N 0.36 0.50 0.17 0.00 -0.00 -1.13 0.82 115.31 116.02 1bqh h LEU 141 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1bqh h LEU 141 Cb 0.58 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1bqh h LEU 141 CO 0.04 0.27 -0.08 0.40 -0.00 0.00 0.00 178.44 179.07 1bqh h ILE 142 N 0.54 0.95 -0.41 1.22 2.04 -1.43 -1.56 117.51 118.86 1bqh h ILE 142 Ca 0.37 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1bqh h ILE 142 Cb 0.69 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 1bqh h ILE 142 CO -0.14 0.19 0.10 0.74 0.00 0.00 0.00 178.15 179.05 1bqh h THR 143 N -0.68 0.81 -0.49 -0.27 2.02 -1.31 0.46 112.91 113.45 1bqh h THR 143 Ca -0.02 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.17 1bqh h THR 143 Cb 0.49 0.55 -0.10 0.00 -1.74 0.00 0.00 68.15 67.35 1bqh h THR 143 CO 0.04 0.04 -0.22 0.50 0.37 0.00 0.00 175.52 176.25 1bqh h LYS 144 N 0.24 -0.11 -0.29 6.66 3.64 0.72 0.13 116.57 127.55 1bqh h LYS 144 Ca 0.20 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1bqh h LYS 144 Cb 0.23 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1bqh h LYS 144 CO -0.24 -0.07 0.07 1.25 -2.27 0.00 0.00 179.45 178.18 1bqh h HIS 145 N -0.12 0.50 -0.83 1.91 2.76 -0.22 0.19 115.15 119.34 1bqh h HIS 145 Ca 0.23 -0.06 0.11 0.00 -2.20 0.00 0.00 60.37 58.45 1bqh h HIS 145 Cb 0.47 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 1bqh h HIS 145 CO -0.50 0.54 0.54 -0.22 -1.30 0.00 0.00 177.93 176.99 1bqh h LYS 146 N 0.31 0.68 0.07 5.26 3.64 0.10 0.31 116.57 126.94 1bqh h LYS 146 Ca 0.09 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.17 1bqh h LYS 146 Cb 0.29 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1bqh h LYS 146 CO 0.00 0.45 -1.23 -1.49 -2.27 0.00 0.00 179.45 174.91 1bqh h TRP 147 N 0.70 0.27 0.28 1.91 4.06 -0.49 -3.32 115.95 119.36 1bqh h TRP 147 Ca 0.39 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1bqh h TRP 147 Cb 0.56 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1bqh h TRP 147 CO -0.00 1.17 -0.13 0.93 -3.56 0.00 0.00 178.44 176.85 1bqh h GLU 148 N 0.04 -0.36 -2.91 0.49 5.08 0.08 -1.59 114.58 115.41 1bqh h GLU 148 Ca -0.12 0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.74 1bqh h GLU 148 Cb 1.91 0.08 0.01 0.00 0.50 0.00 0.00 28.75 31.25 1bqh h GLU 148 CO 0.16 -0.02 2.91 0.94 -1.00 0.00 0.00 179.01 182.00 1bqh n GLN 149 N -5.09 3.10 0.00 2.33 7.27 0.99 -2.42 117.38 123.57 1bqh n GLN 149 Ca -0.09 -1.85 0.00 0.00 0.07 0.00 0.00 57.00 55.13 1bqh n GLN 149 Cb 0.26 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1bqh n GLN 149 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bqh n ALA 150 N 3.50 0.00 -1.86 1.69 0.00 -1.19 -4.86 120.51 117.79 1bqh n ALA 150 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1bqh n ALA 150 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1bqh n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bqh n GLY 151 N -0.08 0.77 0.09 0.00 0.00 -0.92 -5.03 105.19 100.01 1bqh n GLY 151 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1bqh n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bqh h GLU 152 N 0.00 0.14 -0.67 1.61 4.39 -1.56 -3.27 114.58 115.22 1bqh h GLU 152 Ca 0.00 -0.18 0.14 0.00 0.34 0.00 0.00 59.36 59.66 1bqh h GLU 152 Cb 0.81 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1bqh h GLU 152 CO 0.00 0.99 0.45 0.00 -1.16 0.00 0.00 179.01 179.29 1bqh h ALA 153 N 0.16 2.18 -0.21 3.43 0.00 -1.86 0.14 119.26 123.09 1bqh h ALA 153 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1bqh h ALA 153 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bqh h ALA 153 CO 0.05 -0.36 -0.66 0.93 0.00 0.00 0.00 179.25 179.22 1bqh h GLU 154 N 0.32 0.79 -0.14 0.00 3.07 -1.84 -0.68 114.58 116.10 1bqh h GLU 154 Ca 0.32 -0.57 -0.20 0.00 -0.50 0.00 0.00 59.36 58.41 1bqh h GLU 154 Cb 0.82 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1bqh h GLU 154 CO -0.08 1.19 -0.73 -0.09 -1.40 0.00 0.00 179.01 177.90 1bqh h ARG 155 N 0.58 0.64 -0.27 2.33 2.43 -1.37 -1.19 114.38 117.53 1bqh h ARG 155 Ca -0.02 -0.51 -0.15 0.00 -0.81 0.00 0.00 59.98 58.49 1bqh h ARG 155 Cb 1.27 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1bqh h ARG 155 CO 0.14 1.13 -0.43 1.25 -1.51 0.00 0.00 179.97 180.54 1bqh h LEU 156 N 0.45 0.85 -0.93 3.80 5.85 -1.04 -2.53 115.31 121.75 1bqh h LEU 156 Ca -0.04 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 1bqh h LEU 156 Cb 1.33 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1bqh h LEU 156 CO 0.14 1.20 0.30 -0.09 -0.34 0.00 0.00 178.44 179.65 1bqh h ARG 157 N 0.52 1.07 -0.24 1.25 2.43 -1.11 0.13 114.38 118.44 1bqh h ARG 157 Ca 0.02 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1bqh h ARG 157 Cb 1.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1bqh h ARG 157 CO 0.10 0.87 0.03 0.00 -1.51 0.00 0.00 179.97 179.45 1bqh h ALA 158 N 1.27 1.62 0.21 2.80 0.00 -1.10 0.75 119.26 124.80 1bqh h ALA 158 Ca 0.25 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 1bqh h ALA 158 Cb 0.19 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1bqh h ALA 158 CO -0.02 0.29 -1.37 -0.92 0.00 0.00 0.00 179.25 177.23 1bqh h TYR 159 N 0.34 0.80 -0.86 0.00 3.20 -0.92 -0.86 116.97 118.66 1bqh h TYR 159 Ca 0.08 -0.58 -0.03 0.00 3.14 0.00 0.00 58.73 61.34 1bqh h TYR 159 Cb 0.18 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1bqh h TYR 159 CO 0.00 1.53 0.41 -0.07 -1.64 0.00 0.00 178.16 178.40 1bqh h LEU 160 N -0.02 1.12 0.00 2.82 3.38 -0.39 -0.70 115.31 121.52 1bqh h LEU 160 Ca -0.25 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1bqh h LEU 160 Cb 2.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1bqh h LEU 160 CO 0.21 0.94 -1.03 -0.33 0.09 0.00 0.00 178.44 178.33 1bqh h GLU 161 N 1.22 0.00 0.00 1.13 5.08 -0.97 -3.36 114.58 117.69 1bqh h GLU 161 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1bqh h GLU 161 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1bqh h GLU 161 CO -0.04 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1bqh n GLY 162 N 1.24 -0.39 0.33 -3.84 0.00 -0.33 -4.53 105.19 97.68 1bqh n GLY 162 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1bqh n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bqh h THR 163 N 0.00 0.29 -0.17 2.61 2.02 -1.52 -2.11 112.91 114.03 1bqh h THR 163 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1bqh h THR 163 Cb 0.00 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 1bqh h THR 163 CO 0.00 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.63 1bqh h VAL 165 N -0.19 1.20 0.61 0.00 -1.51 -1.69 0.18 116.25 114.85 1bqh h VAL 165 Ca 0.03 -0.81 -0.03 0.00 -1.23 0.00 0.00 66.70 64.66 1bqh h VAL 165 Cb 0.28 0.94 0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1bqh h VAL 165 CO -0.26 0.28 -0.29 -0.08 -1.23 0.00 0.00 177.57 175.98 1bqh h GLU 166 N 0.53 -0.79 0.00 5.19 4.81 -1.10 -2.65 114.58 120.57 1bqh h GLU 166 Ca 0.11 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1bqh h GLU 166 Cb 0.35 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1bqh h GLU 166 CO 0.01 -0.53 0.00 -1.49 -0.73 0.00 0.00 179.01 176.28 1bqh h TRP 167 N -0.98 0.00 -0.39 0.92 4.06 -1.09 -1.83 115.95 116.64 1bqh h TRP 167 Ca -0.08 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.83 1bqh h TRP 167 Cb 0.63 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 1bqh h TRP 167 CO 0.04 0.00 0.09 1.25 -3.56 0.00 0.00 178.44 176.26 1bqh h LEU 168 N 0.00 0.60 -0.11 -4.49 6.46 -0.75 -1.74 115.31 115.28 1bqh h LEU 168 Ca 0.00 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1bqh h LEU 168 Cb 0.30 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1bqh h LEU 168 CO 0.00 0.68 0.05 0.03 -0.62 0.00 0.00 178.44 178.59 1bqh h ARG 169 N 0.50 0.16 -0.32 1.25 2.47 -0.99 0.06 114.38 117.50 1bqh h ARG 169 Ca 0.12 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 1bqh h ARG 169 Cb 0.32 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.55 1bqh h ARG 169 CO 0.00 0.22 -0.42 -0.09 0.56 0.00 0.00 179.97 180.24 1bqh h ARG 170 N 0.06 -0.28 0.20 0.04 9.65 -1.18 0.44 114.38 123.31 1bqh h ARG 170 Ca 0.04 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1bqh h ARG 170 Cb 0.11 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1bqh h ARG 170 CO -0.01 -0.18 -0.09 1.88 2.80 0.00 0.00 179.97 184.37 1bqh h TYR 171 N -0.29 -0.25 -0.93 2.20 0.05 -1.30 -2.54 116.97 113.92 1bqh h TYR 171 Ca 0.06 -0.01 0.27 0.00 0.05 0.00 0.00 58.73 59.10 1bqh h TYR 171 Cb 0.44 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 1bqh h TYR 171 CO -0.71 -0.15 0.67 1.25 -1.05 0.00 0.00 178.16 178.17 1bqh h LEU 172 N -0.27 0.01 0.17 3.88 5.85 -0.24 -0.06 115.31 124.65 1bqh h LEU 172 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1bqh h LEU 172 Cb 0.21 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1bqh h LEU 172 CO 0.04 0.00 -0.08 0.11 -0.34 0.00 0.00 178.44 178.17 1bqh h LYS 173 N 0.01 -0.22 -0.64 1.25 1.79 0.30 0.10 116.57 119.16 1bqh h LYS 173 Ca 0.44 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1bqh h LYS 173 Cb 1.77 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1bqh h LYS 173 CO -0.01 0.03 0.00 0.27 -1.08 0.00 0.00 179.45 178.66 1bqh n ASN 174 N -5.09 4.12 0.00 0.86 0.23 -0.67 -4.30 115.26 110.41 1bqh n ASN 174 Ca -0.09 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.58 1bqh n ASN 174 Cb 0.19 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 1bqh n ASN 174 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bqh n GLY 175 N 1.02 0.84 0.18 4.83 0.00 -0.12 -4.71 105.19 107.22 1bqh n GLY 175 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1bqh n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1bqh h ASN 176 N 0.00 -0.34 -0.05 1.61 -0.00 -1.16 -1.97 115.58 113.67 1bqh h ASN 176 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1bqh h ASN 176 Cb 0.00 0.10 -0.06 0.00 -0.00 0.00 0.00 38.32 38.37 1bqh h ASN 176 CO 0.00 -0.22 -0.42 0.00 -0.00 0.00 0.00 177.43 176.80 1bqh h ALA 177 N 0.45 -0.64 0.00 1.57 0.00 -1.86 0.12 119.26 118.91 1bqh h ALA 177 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bqh h ALA 177 Cb 0.29 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1bqh h ALA 177 CO 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 179.25 178.31 1bqh h THR 178 N -0.54 0.12 0.00 0.00 1.03 -1.89 -0.82 112.91 110.81 1bqh h THR 178 Ca 0.06 -0.06 -0.22 0.00 -0.01 0.00 0.00 66.41 66.18 1bqh h THR 178 Cb 0.64 1.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.74 1bqh h THR 178 CO -0.34 0.01 -1.14 -0.07 -0.01 0.00 0.00 175.52 173.97 1bqh h LEU 179 N 0.00 0.00 -0.13 0.00 3.38 -0.06 -3.24 115.31 115.26 1bqh h LEU 179 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bqh h LEU 179 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1bqh h LEU 179 CO 0.00 0.94 -0.02 0.18 0.09 0.00 0.00 178.44 179.63 1bqh n LEU 180 N -3.25 0.22 -4.68 1.67 4.77 0.05 -4.90 117.00 110.88 1bqh n LEU 180 Ca -0.04 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.62 1bqh n LEU 180 Cb 0.94 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.98 1bqh n LEU 180 CO 0.46 0.04 0.74 -1.14 -1.33 0.00 0.00 177.39 176.15 1bqh n ARG 181 N -0.98 0.90 -3.81 3.23 0.63 -1.06 -5.03 116.66 110.53 1bqh n ARG 181 Ca 0.19 0.36 -0.13 0.00 -0.92 0.00 0.00 57.85 57.35 1bqh n ARG 181 Cb 0.20 -2.38 -0.14 0.00 0.45 0.00 0.00 32.46 30.60 1bqh n ARG 181 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bqh s THR 182 N -1.53 -0.02 -0.28 5.15 -4.23 -1.26 -4.45 115.64 109.02 1bqh s THR 182 Ca 0.79 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1bqh s THR 182 Cb -0.38 -0.15 0.08 0.00 1.34 0.00 0.00 72.50 73.39 1bqh s THR 182 CO 0.44 0.03 -0.02 -1.81 -0.54 0.00 0.00 174.62 172.72 1bqh s ASP 183 N 0.46 4.28 0.37 3.99 1.01 -0.73 -4.94 116.67 121.10 1bqh s ASP 183 Ca -0.03 -1.57 -0.27 0.00 0.71 0.00 0.00 52.55 51.39 1bqh s ASP 183 Cb -0.05 -1.35 -0.12 0.00 1.01 0.00 0.00 42.92 42.41 1bqh s ASP 183 CO -0.02 -0.29 1.17 -1.54 0.21 0.00 0.00 175.17 174.70 1bqh n SER 184 N 4.52 2.10 -4.77 0.27 3.41 -1.26 -1.93 113.62 115.95 1bqh n SER 184 Ca -0.06 1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 59.29 1bqh n SER 184 Cb 0.43 -1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 62.94 1bqh n SER 184 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1bqh s PRO 185 N -1.92 4.16 -0.97 4.33 0.05 -1.26 -4.51 135.00 134.87 1bqh s PRO 185 Ca 0.59 2.22 -0.10 0.00 0.05 0.00 0.00 61.00 63.76 1bqh s PRO 185 Cb -0.58 -2.92 0.25 0.00 0.05 0.00 0.00 34.50 31.30 1bqh s PRO 185 CO 0.60 -0.36 0.92 0.15 0.05 0.00 0.00 177.00 178.36 1bqh s LYS 186 N -2.02 3.82 0.67 4.56 -0.14 0.45 -4.87 119.74 122.22 1bqh s LYS 186 Ca 0.53 -2.92 -0.08 0.00 -1.36 0.00 0.00 55.97 52.14 1bqh s LYS 186 Cb -0.40 -4.42 0.03 0.00 -1.68 0.00 0.00 37.83 31.37 1bqh s LYS 186 CO 0.52 -1.26 1.01 0.00 -0.76 0.00 0.00 175.35 174.86 1bqh s ALA 187 N -0.70 3.09 0.00 5.17 0.00 -1.26 -3.14 121.76 124.92 1bqh s ALA 187 Ca 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1bqh s ALA 187 Cb -0.10 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1bqh s ALA 187 CO -0.09 -1.12 0.00 -2.39 0.00 0.00 0.00 175.76 172.17 1bqh n HIS 188 N -2.86 0.00 -4.02 0.00 1.44 -1.24 -4.97 115.22 103.57 1bqh n HIS 188 Ca 0.06 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.49 1bqh n HIS 188 Cb 0.59 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.64 1bqh n HIS 188 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1bqh s VAL 189 N -2.00 4.77 0.09 0.61 -7.23 -1.26 -0.51 120.40 114.87 1bqh s VAL 189 Ca 0.00 -0.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.45 1bqh s VAL 189 Cb 0.00 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1bqh s VAL 189 CO 0.00 0.01 -0.23 0.42 -0.31 0.00 0.00 175.10 174.99 1bqh s THR 190 N -1.59 1.91 -0.21 5.32 -4.23 -0.65 -4.93 115.64 111.26 1bqh s THR 190 Ca 0.32 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 59.22 1bqh s THR 190 Cb -0.11 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1bqh s THR 190 CO 0.24 0.09 0.10 -2.28 -0.54 0.00 0.00 174.62 172.23 1bqh s HIS 191 N -1.01 3.28 -0.07 3.99 2.46 -1.26 -2.10 115.29 120.57 1bqh s HIS 191 Ca 0.09 0.12 -0.01 0.00 0.47 0.00 0.00 55.06 55.74 1bqh s HIS 191 Cb -0.10 -2.16 0.03 0.00 -0.13 0.00 0.00 32.58 30.22 1bqh s HIS 191 CO 0.04 0.11 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.40 1bqh s HIS 192 N 0.66 0.75 0.41 3.88 3.76 -0.72 -5.01 115.29 119.02 1bqh s HIS 192 Ca 0.05 -0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.48 1bqh s HIS 192 Cb -0.13 -0.82 -0.09 0.00 1.11 0.00 0.00 32.58 32.66 1bqh s HIS 192 CO 0.01 -0.32 1.30 -1.12 -0.85 0.00 0.00 174.74 173.76 1bqh s SER 193 N 1.80 6.29 0.04 1.40 0.01 -1.26 -1.49 113.70 120.48 1bqh s SER 193 Ca 0.03 2.65 -0.01 0.00 1.31 0.00 0.00 55.95 59.93 1bqh s SER 193 Cb -0.13 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1bqh s SER 193 CO -0.05 -0.86 -0.02 -0.13 0.41 0.00 0.00 173.24 172.59 1bqh s ARG 194 N -2.26 0.48 0.63 12.44 1.81 -1.25 -4.83 118.95 125.97 1bqh s ARG 194 Ca 0.57 -0.93 -0.18 0.00 -1.72 0.00 0.00 55.73 53.47 1bqh s ARG 194 Cb -0.38 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 1bqh s ARG 194 CO 0.49 -0.09 1.25 -2.14 -0.68 0.00 0.00 175.30 174.13 1bqh s PRO 195 N -2.80 2.67 -0.93 3.54 0.02 -1.26 -3.28 135.00 132.96 1bqh s PRO 195 Ca -0.03 1.95 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 1bqh s PRO 195 Cb -0.00 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1bqh s PRO 195 CO -0.06 -1.48 0.81 0.39 -0.33 0.00 0.00 177.00 176.33 1bqh n GLU 196 N -1.87 -5.41 -3.24 5.54 1.02 -1.26 -3.75 120.64 111.67 1bqh n GLU 196 Ca 0.15 0.58 -0.23 0.00 -0.02 0.00 0.00 57.16 57.63 1bqh n GLU 196 Cb 0.49 -4.85 0.03 0.00 -0.02 0.00 0.00 31.44 27.09 1bqh n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bqh n ASP 197 N -1.76 -5.59 0.00 1.62 8.00 -1.24 -4.98 116.55 112.60 1bqh n ASP 197 Ca -0.02 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1bqh n ASP 197 Cb 0.55 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 1bqh n ASP 197 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bqh n LYS 198 N -4.17 3.72 0.00 -1.24 4.76 -1.21 -2.22 118.16 117.81 1bqh n LYS 198 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1bqh n LYS 198 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1bqh n LYS 198 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1bqh n VAL 199 N 0.00 0.00 -4.29 -0.18 0.31 0.74 -3.78 118.33 111.13 1bqh n VAL 199 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1bqh n VAL 199 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1bqh n VAL 199 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bqh s THR 200 N -0.57 3.59 -0.20 2.52 -1.32 -0.56 0.17 115.64 119.28 1bqh s THR 200 Ca 0.00 -0.45 -0.07 0.00 -1.21 0.00 0.00 61.69 59.96 1bqh s THR 200 Cb 0.00 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1bqh s THR 200 CO 0.00 0.47 0.06 -0.76 -2.21 0.00 0.00 174.62 172.18 1bqh s LEU 201 N 0.77 3.70 -0.28 9.08 1.43 -0.46 -1.75 118.68 131.17 1bqh s LEU 201 Ca -0.02 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1bqh s LEU 201 Cb -0.15 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1bqh s LEU 201 CO 0.02 0.11 0.05 -0.60 0.23 0.00 0.00 176.35 176.16 1bqh s ARG 202 N 0.73 3.05 -0.54 1.70 3.52 -0.89 -1.22 118.95 125.30 1bqh s ARG 202 Ca 0.03 -0.87 -0.25 0.00 -0.13 0.00 0.00 55.73 54.51 1bqh s ARG 202 Cb -0.13 -3.28 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1bqh s ARG 202 CO 0.02 -0.42 0.97 0.00 -0.81 0.00 0.00 175.30 175.05 1bqh s TRP 204 N 4.04 2.98 -0.30 0.00 0.52 0.34 -0.84 118.94 125.67 1bqh s TRP 204 Ca 0.33 0.49 -0.05 0.00 0.02 0.00 0.00 56.10 56.88 1bqh s TRP 204 Cb -0.12 -3.11 0.19 0.00 -1.15 0.00 0.00 33.47 29.28 1bqh s TRP 204 CO 0.21 -1.30 0.90 0.00 0.02 0.00 0.00 176.95 176.77 1bqh s ALA 205 N -3.20 -3.53 0.36 0.98 0.00 -0.56 -3.59 121.76 112.21 1bqh s ALA 205 Ca 0.59 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.86 1bqh s ALA 205 Cb -0.11 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1bqh s ALA 205 CO 0.45 -2.05 -0.04 -0.51 0.00 0.00 0.00 175.76 173.61 1bqh s LEU 206 N 2.81 2.83 -1.48 0.00 1.43 -1.19 -1.64 118.68 121.44 1bqh s LEU 206 Ca 0.21 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1bqh s LEU 206 Cb -0.04 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.19 1bqh s LEU 206 CO -0.23 -0.29 0.92 0.61 0.23 0.00 0.00 176.35 177.60 1bqh n GLY 207 N -0.89 -0.51 3.72 -3.19 0.00 -0.98 -0.41 105.19 102.93 1bqh n GLY 207 Ca -0.05 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1bqh n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bqh s PHE 208 N -3.25 2.96 -0.18 1.61 -0.12 -0.91 -4.63 117.98 113.47 1bqh s PHE 208 Ca 0.59 -0.10 -0.14 0.00 -0.05 0.00 0.00 56.93 57.23 1bqh s PHE 208 Cb -0.29 -1.41 0.05 0.00 -0.63 0.00 0.00 43.02 40.74 1bqh s PHE 208 CO 0.73 0.53 0.46 -0.47 -0.05 0.00 0.00 175.22 176.41 1bqh s TYR 209 N -1.81 -0.57 0.97 3.49 5.04 -0.81 -0.68 117.35 122.97 1bqh s TYR 209 Ca 0.29 1.30 -0.14 0.00 -2.44 0.00 0.00 57.07 56.09 1bqh s TYR 209 Cb -0.09 0.23 0.17 0.00 0.35 0.00 0.00 41.96 42.62 1bqh s TYR 209 CO 0.21 -0.29 1.16 -1.25 -1.34 0.00 0.00 175.55 174.04 1bqh s PRO 210 N 0.66 0.68 0.57 4.97 0.04 -1.26 -1.78 135.00 138.88 1bqh s PRO 210 Ca -0.03 0.12 0.28 0.00 0.04 0.00 0.00 61.00 61.40 1bqh s PRO 210 Cb -0.05 -1.80 1.52 0.00 0.04 0.00 0.00 34.50 34.21 1bqh s PRO 210 CO -0.04 -2.48 2.00 0.00 0.04 0.00 0.00 177.00 176.51 1bqh h ALA 211 N -1.70 2.13 -2.72 8.56 0.00 -1.94 -3.43 119.26 120.16 1bqh h ALA 211 Ca -0.49 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1bqh h ALA 211 Cb 1.31 0.03 0.06 0.00 0.00 0.00 0.00 17.79 19.19 1bqh h ALA 211 CO 0.54 -0.55 0.81 -0.51 0.00 0.00 0.00 179.25 179.54 1bqh s ASP 212 N -5.68 6.59 -0.10 0.00 1.01 -1.26 -4.98 116.67 112.25 1bqh s ASP 212 Ca -0.05 2.71 -0.32 0.00 0.71 0.00 0.00 52.55 55.60 1bqh s ASP 212 Cb 0.17 -2.62 0.12 0.00 1.01 0.00 0.00 42.92 41.60 1bqh s ASP 212 CO 0.60 -0.77 1.05 -0.51 0.21 0.00 0.00 175.17 175.74 1bqh s ILE 213 N 0.28 0.00 -0.06 0.77 2.07 -1.26 -4.61 121.20 118.39 1bqh s ILE 213 Ca 0.63 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.84 1bqh s ILE 213 Cb -0.43 -1.01 0.04 0.00 0.13 0.00 0.00 42.46 41.19 1bqh s ILE 213 CO 0.41 0.00 0.12 -0.89 -1.91 0.00 0.00 174.94 172.67 1bqh s THR 214 N -2.77 -0.16 -0.14 4.00 2.01 -0.49 -5.01 115.64 113.07 1bqh s THR 214 Ca 0.07 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1bqh s THR 214 Cb -0.01 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1bqh s THR 214 CO -0.07 0.14 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.04 1bqh s LEU 215 N 1.92 2.03 -0.03 4.42 1.43 -1.26 -0.58 118.68 126.61 1bqh s LEU 215 Ca -0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1bqh s LEU 215 Cb -0.12 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.74 1bqh s LEU 215 CO -0.05 0.05 -0.01 -0.89 0.23 0.00 0.00 176.35 175.68 1bqh s THR 216 N 0.95 0.29 0.14 5.49 2.01 -0.97 -4.92 115.64 118.62 1bqh s THR 216 Ca -0.05 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 1bqh s THR 216 Cb -0.15 -0.35 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 1bqh s THR 216 CO -0.04 0.16 0.57 0.26 -0.69 0.00 0.00 174.62 174.88 1bqh s TRP 217 N 0.93 3.65 0.04 4.92 0.52 -1.26 0.19 118.94 127.93 1bqh s TRP 217 Ca -0.10 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.15 1bqh s TRP 217 Cb -0.14 -2.42 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1bqh s TRP 217 CO -0.01 0.45 -0.04 -0.65 0.02 0.00 0.00 176.95 176.72 1bqh s GLN 218 N -1.79 0.48 -0.09 4.98 -0.21 0.69 -1.10 119.66 122.62 1bqh s GLN 218 Ca 0.36 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 54.86 1bqh s GLN 218 Cb -0.16 0.02 0.03 0.00 1.00 0.00 0.00 33.01 33.91 1bqh s GLN 218 CO 0.19 -0.04 0.02 -1.17 -2.12 0.00 0.00 175.29 172.17 1bqh s LEU 219 N -2.02 0.61 -1.33 2.90 2.96 0.03 -2.54 118.68 119.29 1bqh s LEU 219 Ca -0.06 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1bqh s LEU 219 Cb -0.04 -0.42 0.05 0.00 0.50 0.00 0.00 46.19 46.29 1bqh s LEU 219 CO -0.03 -0.23 0.50 -3.20 -1.32 0.00 0.00 176.35 172.07 1bqh n ASN 220 N 5.16 -4.25 0.00 3.68 4.05 -1.26 -0.54 115.26 122.10 1bqh n ASN 220 Ca -0.07 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.62 1bqh n ASN 220 Cb 0.50 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 38.01 1bqh n ASN 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bqh n GLY 221 N -1.24 0.71 3.33 8.20 0.00 -1.26 -5.06 105.19 109.88 1bqh n GLY 221 Ca -0.04 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1bqh n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bqh s GLU 222 N -0.44 3.39 -0.08 1.61 2.12 0.30 -5.09 118.70 120.52 1bqh s GLU 222 Ca 0.00 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1bqh s GLU 222 Cb 0.00 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 1bqh s GLU 222 CO 0.00 -0.09 1.44 -1.21 -0.54 0.00 0.00 175.26 174.85 1bqh s GLU 223 N 1.19 4.23 -1.33 4.30 2.02 -1.26 -0.79 118.70 127.05 1bqh s GLU 223 Ca 0.02 1.93 -0.07 0.00 0.02 0.00 0.00 54.97 56.88 1bqh s GLU 223 Cb -0.14 -3.78 0.05 0.00 0.10 0.00 0.00 34.13 30.36 1bqh s GLU 223 CO -0.02 -0.71 2.58 1.28 0.02 0.00 0.00 175.26 178.41 1bqh n LEU 224 N 6.42 8.12 -0.32 1.80 4.77 -0.26 -4.79 117.00 132.73 1bqh n LEU 224 Ca 0.15 -4.68 0.20 0.00 -0.03 0.00 0.00 56.01 51.65 1bqh n LEU 224 Cb 0.44 -1.41 0.41 0.00 -2.33 0.00 0.00 43.42 40.53 1bqh n LEU 224 CO 0.59 2.05 1.03 0.40 -1.33 0.00 0.00 177.39 180.13 1bqh h ILE 225 N 2.66 0.26 0.00 -0.08 2.04 -1.91 -1.05 117.51 119.43 1bqh h ILE 225 Ca 0.73 -0.08 -0.32 0.00 1.00 0.00 0.00 64.86 66.18 1bqh h ILE 225 Cb 0.34 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1bqh h ILE 225 CO 1.50 0.04 -1.97 1.67 0.00 0.00 0.00 178.15 179.40 1bqh n GLN 226 N -5.16 0.66 0.06 2.37 7.27 -1.26 -4.00 117.38 117.32 1bqh n GLN 226 Ca 0.28 0.19 0.12 0.00 0.07 0.00 0.00 57.00 57.66 1bqh n GLN 226 Cb 0.90 -1.69 0.46 0.00 2.41 0.00 0.00 30.24 32.32 1bqh n GLN 226 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1bqh n ASP 227 N -2.95 0.41 -4.82 1.69 9.92 -0.99 -4.86 116.55 114.95 1bqh n ASP 227 Ca -0.23 0.57 -0.31 0.00 -0.53 0.00 0.00 54.79 54.29 1bqh n ASP 227 Cb 1.09 -0.67 0.06 0.00 -0.64 0.00 0.00 41.12 40.96 1bqh n ASP 227 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1bqh s MET 228 N -3.11 2.71 -0.28 -1.24 -1.94 -0.43 -4.47 119.30 110.54 1bqh s MET 228 Ca 0.09 0.85 0.01 0.00 -1.71 0.00 0.00 55.69 54.93 1bqh s MET 228 Cb 0.13 -1.97 0.15 0.00 2.01 0.00 0.00 34.83 35.15 1bqh s MET 228 CO 0.46 -1.23 0.38 -2.00 -0.01 0.00 0.00 175.02 172.62 1bqh s GLU 229 N -5.09 0.39 0.43 2.03 2.12 -0.71 -5.01 118.70 112.85 1bqh s GLU 229 Ca 0.59 0.11 0.06 0.00 0.36 0.00 0.00 54.97 56.09 1bqh s GLU 229 Cb -0.14 -0.40 -0.07 0.00 0.26 0.00 0.00 34.13 33.78 1bqh s GLU 229 CO 0.55 -0.99 0.01 -0.48 -0.54 0.00 0.00 175.26 173.80 1bqh s LEU 230 N 2.50 2.80 0.31 2.70 0.05 -1.26 -1.49 118.68 124.29 1bqh s LEU 230 Ca 0.10 -1.41 0.08 0.00 0.05 0.00 0.00 54.13 52.95 1bqh s LEU 230 Cb -0.13 -0.88 -0.03 0.00 -2.05 0.00 0.00 46.19 43.09 1bqh s LEU 230 CO -0.29 -0.51 0.21 0.68 -0.55 0.00 0.00 176.35 175.88 1bqh s VAL 231 N -2.73 3.60 0.20 1.48 -7.23 -0.95 -5.02 120.40 109.75 1bqh s VAL 231 Ca 0.31 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1bqh s VAL 231 Cb 0.09 -3.15 -0.09 0.00 0.56 0.00 0.00 36.38 33.79 1bqh s VAL 231 CO 0.16 -0.23 1.25 -0.70 -0.31 0.00 0.00 175.10 175.26 1bqh s GLU 232 N -3.90 4.45 -0.21 4.82 2.12 -1.26 -4.69 118.70 120.03 1bqh s GLU 232 Ca 0.37 1.97 -0.28 0.00 0.36 0.00 0.00 54.97 57.39 1bqh s GLU 232 Cb -0.05 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1bqh s GLU 232 CO 0.25 -0.15 2.12 0.99 -0.54 0.00 0.00 175.26 177.93 1bqh s THR 233 N -0.09 3.09 -0.03 -1.70 2.01 -1.26 -4.85 115.64 112.81 1bqh s THR 233 Ca 0.54 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1bqh s THR 233 Cb -0.35 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1bqh s THR 233 CO 0.38 -0.07 0.05 0.00 -0.69 0.00 0.00 174.62 174.30 1bqh s ARG 234 N 6.02 3.01 0.23 4.92 1.70 -1.02 -4.93 118.95 128.88 1bqh s ARG 234 Ca 0.96 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 55.44 1bqh s ARG 234 Cb -0.32 -2.82 -0.09 0.00 -0.57 0.00 0.00 34.95 31.14 1bqh s ARG 234 CO 0.35 0.66 1.35 -1.25 -1.08 0.00 0.00 175.30 175.33 1bqh s PRO 235 N -1.48 4.35 0.26 3.89 0.05 -1.26 -0.90 135.00 139.91 1bqh s PRO 235 Ca 0.20 2.15 0.13 0.00 0.05 0.00 0.00 61.00 63.52 1bqh s PRO 235 Cb -0.12 -3.15 0.24 0.00 0.05 0.00 0.00 34.50 31.52 1bqh s PRO 235 CO 0.10 -0.29 1.53 0.00 0.05 0.00 0.00 177.00 178.39 1bqh h ALA 236 N 5.02 0.76 0.00 8.56 0.00 -1.70 -3.46 119.26 128.45 1bqh h ALA 236 Ca -0.46 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1bqh h ALA 236 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bqh h ALA 236 CO 0.76 0.79 0.00 0.41 0.00 0.00 0.00 179.25 181.21 1bqh n GLY 237 N 0.71 0.65 1.87 0.00 0.00 -1.26 -4.96 105.19 102.19 1bqh n GLY 237 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1bqh n GLY 237 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bqh n ASP 238 N 0.00 3.78 0.00 1.61 -0.08 -1.26 -4.93 116.55 115.67 1bqh n ASP 238 Ca 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 54.79 49.80 1bqh n ASP 238 Cb 0.00 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1bqh n ASP 238 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bqh n GLY 239 N -0.72 2.52 3.93 0.27 0.00 -1.26 -4.97 105.19 104.95 1bqh n GLY 239 Ca 0.33 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 1bqh n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bqh s THR 240 N -0.22 2.12 0.08 2.61 -4.23 -1.26 -4.89 115.64 109.85 1bqh s THR 240 Ca 0.00 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.38 1bqh s THR 240 Cb 0.00 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1bqh s THR 240 CO 0.00 0.00 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.61 1bqh s PHE 241 N -3.49 1.08 0.39 3.99 0.40 0.14 -1.87 117.98 118.63 1bqh s PHE 241 Ca 0.65 -0.57 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1bqh s PHE 241 Cb -0.08 -0.60 -0.08 0.00 0.51 0.00 0.00 43.02 42.77 1bqh s PHE 241 CO 0.48 0.02 0.01 -0.65 0.70 0.00 0.00 175.22 175.78 1bqh s GLN 242 N -2.33 1.91 0.00 0.44 -0.21 -0.07 -2.14 119.66 117.25 1bqh s GLN 242 Ca 0.02 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.32 1bqh s GLN 242 Cb -0.06 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.43 1bqh s GLN 242 CO 0.01 -0.07 0.00 1.17 -2.12 0.00 0.00 175.29 174.28 1bqh n LYS 243 N -0.92 0.00 -3.68 2.91 4.81 -0.65 -2.44 118.16 118.19 1bqh n LYS 243 Ca -0.05 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.25 1bqh n LYS 243 Cb 0.67 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.63 1bqh n LYS 243 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1bqh s TRP 244 N -2.00 -0.51 -0.12 5.64 1.48 -1.26 -1.50 118.94 120.67 1bqh s TRP 244 Ca 0.00 1.11 -0.01 0.00 -1.06 0.00 0.00 56.10 56.15 1bqh s TRP 244 Cb 0.00 0.21 0.03 0.00 -1.16 0.00 0.00 33.47 32.56 1bqh s TRP 244 CO 0.00 -0.36 -0.04 0.00 -4.06 0.00 0.00 176.95 172.49 1bqh s ALA 245 N -0.32 1.21 0.49 2.67 0.00 -0.02 -2.25 121.76 123.54 1bqh s ALA 245 Ca -0.05 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1bqh s ALA 245 Cb -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1bqh s ALA 245 CO 0.03 -0.58 0.28 -1.54 0.00 0.00 0.00 175.76 173.95 1bqh s SER 246 N 1.76 4.53 -0.17 0.00 1.04 -0.55 -0.72 113.70 119.58 1bqh s SER 246 Ca 0.03 -1.23 -0.28 0.00 0.48 0.00 0.00 55.95 54.96 1bqh s SER 246 Cb -0.13 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.19 1bqh s SER 246 CO -0.07 -0.88 0.80 0.54 0.98 0.00 0.00 173.24 174.60 1bqh s VAL 247 N -2.72 0.00 -0.08 5.02 0.11 -0.35 -1.74 120.40 120.64 1bqh s VAL 247 Ca 0.32 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.16 1bqh s VAL 247 Cb -0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1bqh s VAL 247 CO 0.19 0.00 0.61 -0.69 -3.33 0.00 0.00 175.10 171.88 1bqh s VAL 248 N -0.45 5.09 0.16 2.04 1.01 -1.26 -1.35 120.40 125.64 1bqh s VAL 248 Ca -0.04 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.24 1bqh s VAL 248 Cb -0.02 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1bqh s VAL 248 CO 0.03 0.29 -0.07 0.68 0.00 0.00 0.00 175.10 176.03 1bqh s VAL 249 N 0.67 1.09 0.30 2.92 -7.23 0.46 -4.94 120.40 113.67 1bqh s VAL 249 Ca 0.33 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.17 1bqh s VAL 249 Cb -0.17 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 1bqh s VAL 249 CO 0.15 -0.65 1.02 -2.16 -0.31 0.00 0.00 175.10 173.16 1bqh s PRO 250 N -3.79 4.61 0.56 4.82 0.04 -1.26 -0.18 135.00 139.80 1bqh s PRO 250 Ca 0.19 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1bqh s PRO 250 Cb 0.03 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 1bqh s PRO 250 CO 0.02 0.25 1.00 -0.11 0.04 0.00 0.00 177.00 178.20 1bqh n LEU 251 N 0.97 3.58 0.00 -3.56 7.94 -0.94 -2.67 117.00 122.31 1bqh n LEU 251 Ca 0.00 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 1bqh n LEU 251 Cb 0.47 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1bqh n LEU 251 CO 0.50 -1.70 0.00 0.61 -1.11 0.00 0.00 177.39 175.69 1bqh n GLY 252 N 1.23 1.51 0.71 -3.96 0.00 -1.26 -4.52 105.19 98.91 1bqh n GLY 252 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1bqh n GLY 252 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bqh n LYS 253 N 0.00 0.75 0.16 1.61 4.81 -1.09 -4.02 118.16 120.38 1bqh n LYS 253 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1bqh n LYS 253 Cb 0.00 -1.27 0.24 0.00 0.02 0.00 0.00 35.03 34.02 1bqh n LYS 253 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1bqh h GLU 254 N 0.35 0.00 -0.20 1.64 4.11 -1.78 -3.22 114.58 115.49 1bqh h GLU 254 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1bqh h GLU 254 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1bqh h GLU 254 CO 0.00 0.52 0.00 0.00 0.07 0.00 0.00 179.01 179.60 1bqh n GLN 255 N -3.76 1.43 0.02 1.06 0.00 -1.26 -3.52 117.38 111.36 1bqh n GLN 255 Ca -0.01 -0.65 0.12 0.00 0.00 0.00 0.00 57.00 56.46 1bqh n GLN 255 Cb 0.56 -1.16 0.25 0.00 0.00 0.00 0.00 30.24 29.90 1bqh n GLN 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1bqh n TYR 256 N 0.03 0.20 -4.09 2.61 4.02 -1.22 -4.91 117.16 113.81 1bqh n TYR 256 Ca 0.06 0.06 -0.27 0.00 -0.01 0.00 0.00 57.90 57.74 1bqh n TYR 256 Cb 0.16 -0.42 -0.06 0.00 -0.02 0.00 0.00 39.34 39.01 1bqh n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1bqh s TYR 257 N -3.06 3.13 -0.16 -0.72 1.51 -1.23 -4.46 117.35 112.36 1bqh s TYR 257 Ca 0.09 -0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.96 1bqh s TYR 257 Cb 0.16 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1bqh s TYR 257 CO 0.69 0.52 0.50 0.95 -1.11 0.00 0.00 175.55 177.10 1bqh s THR 258 N -1.70 0.01 -0.13 -0.71 -4.23 -1.05 -4.55 115.64 103.28 1bqh s THR 258 Ca 0.30 -0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 1bqh s THR 258 Cb -0.10 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1bqh s THR 258 CO 0.23 -0.03 0.05 0.00 -0.54 0.00 0.00 174.62 174.34 1bqh s HIS 260 N -0.51 3.19 -0.26 0.00 3.76 0.51 -1.87 115.29 120.12 1bqh s HIS 260 Ca 0.10 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.79 1bqh s HIS 260 Cb -0.12 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1bqh s HIS 260 CO 0.02 -0.14 0.45 0.08 -0.85 0.00 0.00 174.74 174.31 1bqh s VAL 261 N 1.36 5.12 -0.23 -0.90 1.01 -0.76 -2.30 120.40 123.70 1bqh s VAL 261 Ca 0.06 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 1bqh s VAL 261 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1bqh s VAL 261 CO 0.06 0.13 -0.03 -0.31 0.00 0.00 0.00 175.10 174.94 1bqh s TYR 262 N 2.14 2.97 -0.08 5.22 1.51 0.25 -1.77 117.35 127.58 1bqh s TYR 262 Ca 0.19 -0.94 -0.12 0.00 -1.01 0.00 0.00 57.07 55.19 1bqh s TYR 262 Cb -0.16 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 1bqh s TYR 262 CO 0.09 -0.55 0.30 -1.58 -1.11 0.00 0.00 175.55 172.71 1bqh s HIS 263 N 1.48 -0.28 0.28 2.71 2.46 -1.26 -1.40 115.29 119.28 1bqh s HIS 263 Ca 0.06 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.24 1bqh s HIS 263 Cb -0.14 0.10 0.67 0.00 -0.13 0.00 0.00 32.58 33.08 1bqh s HIS 263 CO -0.03 -0.23 1.69 0.37 -2.47 0.00 0.00 174.74 174.07 1bqh h GLN 264 N 5.10 0.35 -0.17 2.88 5.75 -1.92 0.56 115.11 127.66 1bqh h GLN 264 Ca -0.27 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1bqh h GLN 264 Cb 1.19 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1bqh h GLN 264 CO 0.34 0.23 0.00 0.41 -2.65 0.00 0.00 178.83 177.16 1bqh n GLY 265 N -1.34 -0.16 3.15 2.39 0.00 -1.26 -4.69 105.19 103.28 1bqh n GLY 265 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1bqh n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bqh s LEU 266 N -0.71 1.97 0.39 0.99 1.43 0.19 -4.45 118.68 118.50 1bqh s LEU 266 Ca 0.00 -0.52 0.18 0.00 -1.03 0.00 0.00 54.13 52.75 1bqh s LEU 266 Cb 0.00 -1.30 0.82 0.00 0.03 0.00 0.00 46.19 45.74 1bqh s LEU 266 CO 0.00 0.09 1.82 1.55 0.23 0.00 0.00 176.35 180.04 1bqh h PRO 267 N 7.10 0.00 -3.09 1.29 0.13 -1.85 -3.43 132.00 132.14 1bqh h PRO 267 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1bqh h PRO 267 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1bqh h PRO 267 CO 0.50 0.34 -0.40 -1.83 -0.23 0.00 0.00 178.00 176.39 1bqh s GLU 268 N -3.94 0.34 0.37 0.86 -1.05 -1.26 -5.14 118.70 108.87 1bqh s GLU 268 Ca -0.02 0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 54.85 1bqh s GLU 268 Cb 0.13 0.16 -0.11 0.00 -0.44 0.00 0.00 34.13 33.87 1bqh s GLU 268 CO 0.69 -0.05 1.48 -2.14 0.95 0.00 0.00 175.26 176.19 1bqh s PRO 269 N 0.03 4.13 0.61 -4.83 0.02 -1.26 -4.99 135.00 128.71 1bqh s PRO 269 Ca -0.01 2.55 -0.10 0.00 0.02 0.00 0.00 61.00 63.45 1bqh s PRO 269 Cb -0.02 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 1bqh s PRO 269 CO 0.01 -0.52 1.01 -0.51 -0.33 0.00 0.00 177.00 176.66 1bqh s LEU 270 N -1.98 3.26 -0.34 -5.54 1.43 -0.73 -4.85 118.68 109.93 1bqh s LEU 270 Ca 0.53 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1bqh s LEU 270 Cb -0.46 -4.37 0.12 0.00 0.03 0.00 0.00 46.19 41.50 1bqh s LEU 270 CO 0.62 -0.86 0.16 -0.89 0.23 0.00 0.00 176.35 175.60 1bqh s THR 271 N -3.14 0.53 0.39 5.49 2.01 -1.26 -1.83 115.64 117.83 1bqh s THR 271 Ca 0.54 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 1bqh s THR 271 Cb -0.11 -1.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.94 1bqh s THR 271 CO 0.53 -0.80 0.73 -0.76 -0.69 0.00 0.00 174.62 173.62 1bqh s LEU 272 N 1.41 3.84 -0.11 4.42 1.43 -0.78 -4.93 118.68 123.96 1bqh s LEU 272 Ca 0.13 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.95 1bqh s LEU 272 Cb -0.20 -3.90 0.08 0.00 0.03 0.00 0.00 46.19 42.21 1bqh s LEU 272 CO -0.18 -0.39 0.72 -0.60 0.23 0.00 0.00 176.35 176.14 1bqh s ARG 273 N -3.94 0.96 0.00 1.70 3.52 -1.26 -2.47 118.95 117.46 1bqh s ARG 273 Ca 0.49 0.41 0.31 0.00 -0.13 0.00 0.00 55.73 56.81 1bqh s ARG 273 Cb -0.10 0.46 1.73 0.00 -1.56 0.00 0.00 34.95 35.47 1bqh s ARG 273 CO 0.33 -0.27 2.13 1.87 -0.81 0.00 0.00 175.30 178.55