#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bq5 s SER 2 N 0.00 -0.31 -0.12 0.00 0.01 -1.26 -5.00 113.70 107.03 2bq5 s SER 2 Ca 0.00 0.46 0.15 0.00 1.31 0.00 0.00 55.95 57.87 2bq5 s SER 2 Cb 0.00 0.56 0.47 0.00 0.21 0.00 0.00 66.02 67.26 2bq5 s SER 2 CO 0.00 -0.27 1.38 -0.46 0.41 0.00 0.00 173.24 174.30 2bq5 n ASN 3 N 2.18 3.65 -3.60 2.44 6.94 -1.26 -4.55 115.26 121.06 2bq5 n ASN 3 Ca -0.17 -2.64 -0.37 0.00 -0.02 0.00 0.00 54.58 51.38 2bq5 n ASN 3 Cb 0.57 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.54 2bq5 n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2bq5 n PHE 4 N -0.05 2.94 -4.17 -2.53 7.35 -1.26 -4.97 117.46 114.76 2bq5 n PHE 4 Ca 0.18 -3.00 -0.26 0.00 -0.76 0.00 0.00 57.45 53.61 2bq5 n PHE 4 Cb 0.74 -1.02 -0.06 0.00 0.35 0.00 0.00 39.48 39.50 2bq5 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bq5 s THR 5 N -3.69 2.03 0.35 -2.13 -4.23 -1.26 -4.83 115.64 101.88 2bq5 s THR 5 Ca 0.38 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.12 2bq5 s THR 5 Cb 0.16 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 2bq5 s THR 5 CO -0.05 0.00 0.66 0.00 -0.54 0.00 0.00 174.62 174.70 2bq5 s GLN 6 N -3.97 3.71 0.30 3.99 -2.07 -1.26 -4.58 119.66 115.77 2bq5 s GLN 6 Ca 0.35 0.24 -0.08 0.00 -1.82 0.00 0.00 55.36 54.05 2bq5 s GLN 6 Cb 0.02 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.43 2bq5 s GLN 6 CO 0.20 0.09 0.48 -0.59 -1.32 0.00 0.00 175.29 174.15 2bq5 s PHE 7 N -2.23 0.67 -0.27 9.60 -0.71 -0.84 -5.01 117.98 119.19 2bq5 s PHE 7 Ca 0.48 -1.00 -0.21 0.00 -1.04 0.00 0.00 56.93 55.16 2bq5 s PHE 7 Cb -0.10 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2bq5 s PHE 7 CO 0.31 -1.08 0.64 0.08 -1.34 0.00 0.00 175.22 173.83 2bq5 s VAL 8 N -3.49 4.96 -0.11 -2.49 1.01 -1.26 -1.97 120.40 117.04 2bq5 s VAL 8 Ca 0.26 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 2bq5 s VAL 8 Cb -0.00 -3.97 -0.26 0.00 0.00 0.00 0.00 36.38 32.14 2bq5 s VAL 8 CO 0.14 -0.03 0.46 0.25 0.00 0.00 0.00 175.10 175.92 2bq5 h LEU 9 N 9.02 0.38 -8.04 3.92 5.85 -1.40 -3.45 115.31 121.58 2bq5 h LEU 9 Ca -0.26 -0.86 -0.62 0.00 0.84 0.00 0.00 57.88 56.98 2bq5 h LEU 9 Cb 1.12 -0.12 -0.35 0.00 0.37 0.00 0.00 40.66 41.68 2bq5 h LEU 9 CO 0.79 1.71 -0.85 -0.69 -0.34 0.00 0.00 178.44 179.06 2bq5 s VAL 10 N -2.50 1.68 -0.41 1.05 1.01 -1.04 -4.98 120.40 115.22 2bq5 s VAL 10 Ca -0.21 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2bq5 s VAL 10 Cb 0.05 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.96 2bq5 s VAL 10 CO 0.76 0.48 0.25 -0.62 0.00 0.00 0.00 175.10 175.96 2bq5 s ASP 11 N 1.03 5.72 -0.68 3.32 -1.08 -1.26 -0.85 116.67 122.88 2bq5 s ASP 11 Ca -0.04 -1.28 0.05 0.00 -0.52 0.00 0.00 52.55 50.76 2bq5 s ASP 11 Cb -0.15 -2.02 0.28 0.00 -1.46 0.00 0.00 42.92 39.57 2bq5 s ASP 11 CO -0.04 -0.49 0.90 0.59 0.52 0.00 0.00 175.17 176.66 2bq5 n ASN 12 N 4.98 4.32 0.00 -0.34 3.02 -1.26 -5.01 115.26 120.97 2bq5 n ASN 12 Ca -0.11 -3.52 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2bq5 n ASN 12 Cb 0.44 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 2bq5 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bq5 n GLY 13 N 0.58 0.85 0.06 7.41 0.00 -1.26 -3.56 105.19 109.27 2bq5 n GLY 13 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 2bq5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bq5 n GLY 14 N 0.00 -0.82 3.03 -0.02 0.00 -1.26 -4.88 105.19 101.24 2bq5 n GLY 14 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 2bq5 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bq5 s THR 15 N -2.69 1.04 0.00 2.61 -4.23 -1.23 -4.56 115.64 106.58 2bq5 s THR 15 Ca -0.08 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2bq5 s THR 15 Cb 0.07 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.98 2bq5 s THR 15 CO 0.71 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.72 2bq5 n GLY 16 N 3.55 1.18 3.72 3.99 0.00 -1.26 -4.80 105.19 111.56 2bq5 n GLY 16 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2bq5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bq5 s ASP 17 N -1.58 7.11 -0.25 1.61 1.11 -1.26 -4.44 116.67 118.97 2bq5 s ASP 17 Ca 0.00 2.07 -0.18 0.00 0.18 0.00 0.00 52.55 54.62 2bq5 s ASP 17 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 2bq5 s ASP 17 CO 0.00 -0.41 0.50 -0.69 1.18 0.00 0.00 175.17 175.75 2bq5 s VAL 18 N 0.64 5.09 -0.00 -1.27 1.01 -0.03 -4.97 120.40 120.87 2bq5 s VAL 18 Ca 0.56 0.88 0.04 0.00 0.00 0.00 0.00 61.98 63.45 2bq5 s VAL 18 Cb -0.30 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2bq5 s VAL 18 CO 0.31 0.11 -0.09 -0.89 0.00 0.00 0.00 175.10 174.55 2bq5 s THR 19 N 2.12 3.46 -0.04 3.92 2.01 -1.26 -0.96 115.64 124.89 2bq5 s THR 19 Ca 0.21 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.46 2bq5 s THR 19 Cb -0.16 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 2bq5 s THR 19 CO 0.09 0.42 -0.18 0.54 -0.69 0.00 0.00 174.62 174.80 2bq5 s VAL 20 N -0.94 1.51 0.04 3.82 0.11 -0.83 -3.93 120.40 120.17 2bq5 s VAL 20 Ca 0.16 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2bq5 s VAL 20 Cb -0.11 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 2bq5 s VAL 20 CO 0.06 0.43 -0.13 0.00 -3.33 0.00 0.00 175.10 172.13 2bq5 s ALA 21 N -0.12 1.03 0.01 1.54 0.00 -0.57 -1.98 121.76 121.68 2bq5 s ALA 21 Ca -0.01 -0.80 -0.39 0.00 0.00 0.00 0.00 51.96 50.76 2bq5 s ALA 21 Cb -0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 23.12 22.70 2bq5 s ALA 21 CO 0.01 0.17 1.18 -2.30 0.00 0.00 0.00 175.76 174.82 2bq5 n PRO 22 N 1.80 0.39 -0.02 0.00 -0.02 -1.26 -1.01 135.00 134.88 2bq5 n PRO 22 Ca -0.19 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2bq5 n PRO 22 Cb 0.55 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 2bq5 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bq5 n SER 23 N 1.94 0.88 -3.48 2.55 3.41 0.05 -4.81 113.62 114.15 2bq5 n SER 23 Ca 0.20 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2bq5 n SER 23 Cb 0.11 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2bq5 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bq5 s ASN 24 N -5.25 -0.50 -0.31 4.04 3.84 -1.23 -5.04 114.94 110.49 2bq5 s ASN 24 Ca -0.06 0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.21 2bq5 s ASN 24 Cb 0.02 0.56 0.46 0.00 -0.55 0.00 0.00 41.25 41.75 2bq5 s ASN 24 CO 0.08 -0.89 1.06 0.33 -2.79 0.00 0.00 177.10 174.89 2bq5 n PHE 25 N -0.16 0.66 -3.15 0.43 7.35 -1.26 -1.36 117.46 119.97 2bq5 n PHE 25 Ca -0.17 -2.48 -0.38 0.00 -0.76 0.00 0.00 57.45 53.65 2bq5 n PHE 25 Cb 0.64 -0.05 -0.06 0.00 0.35 0.00 0.00 39.48 40.36 2bq5 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bq5 s ALA 26 N -2.81 3.51 -1.10 3.13 0.00 -1.24 -4.05 121.76 119.20 2bq5 s ALA 26 Ca 0.26 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2bq5 s ALA 26 Cb 0.42 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.77 2bq5 s ALA 26 CO -0.00 0.36 0.00 0.09 0.00 0.00 0.00 175.76 176.21 2bq5 n ASN 27 N 1.41 -4.00 -0.94 0.00 5.03 -1.26 -2.59 115.26 112.91 2bq5 n ASN 27 Ca -0.07 0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.36 2bq5 n ASN 27 Cb 0.50 -3.01 -0.04 0.00 -1.02 0.00 0.00 39.78 36.22 2bq5 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bq5 n GLY 28 N -1.18 0.92 3.08 7.41 0.00 -1.26 -4.98 105.19 109.19 2bq5 n GLY 28 Ca -0.13 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2bq5 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bq5 s VAL 29 N -2.44 2.44 0.22 1.61 1.01 -1.07 -4.57 120.40 117.59 2bq5 s VAL 29 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 2bq5 s VAL 29 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 2bq5 s VAL 29 CO 0.00 -0.21 1.05 0.00 0.00 0.00 0.00 175.10 175.95 2bq5 s ALA 30 N 1.09 3.36 -0.01 5.51 0.00 -0.29 -3.68 121.76 127.75 2bq5 s ALA 30 Ca -0.03 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2bq5 s ALA 30 Cb -0.20 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 2bq5 s ALA 30 CO -0.05 -0.09 -0.07 -2.00 0.00 0.00 0.00 175.76 173.56 2bq5 s GLU 31 N -0.84 0.56 0.06 0.00 2.12 -0.46 -1.13 118.70 119.00 2bq5 s GLU 31 Ca 0.46 -0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.63 2bq5 s GLU 31 Cb -0.29 -0.54 -0.03 0.00 0.26 0.00 0.00 34.13 33.53 2bq5 s GLU 31 CO 0.36 0.13 -0.21 -1.58 -0.54 0.00 0.00 175.26 173.42 2bq5 s TRP 32 N -0.10 1.82 -0.04 5.30 0.51 0.68 -0.77 118.94 126.34 2bq5 s TRP 32 Ca 0.02 -0.38 -0.03 0.00 -2.12 0.00 0.00 56.10 53.59 2bq5 s TRP 32 Cb -0.03 -1.07 0.01 0.00 -0.81 0.00 0.00 33.47 31.57 2bq5 s TRP 32 CO -0.00 0.12 0.09 0.42 -0.51 0.00 0.00 176.95 177.07 2bq5 s ILE 33 N -0.88 -0.01 0.87 2.03 -1.09 -0.18 -1.68 121.20 120.27 2bq5 s ILE 33 Ca 0.07 0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.41 2bq5 s ILE 33 Cb -0.09 -0.14 0.11 0.00 -1.58 0.00 0.00 42.46 40.76 2bq5 s ILE 33 CO 0.02 0.01 1.10 -0.94 -1.23 0.00 0.00 174.94 173.91 2bq5 s SER 34 N 0.24 3.78 0.85 3.58 1.04 -0.50 -1.50 113.70 121.19 2bq5 s SER 34 Ca -0.02 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2bq5 s SER 34 Cb -0.03 -2.00 0.14 0.00 0.10 0.00 0.00 66.02 64.23 2bq5 s SER 34 CO -0.01 -2.42 1.19 -0.55 0.98 0.00 0.00 173.24 172.43 2bq5 s SER 35 N -3.69 3.92 0.24 7.02 0.15 -1.26 -4.59 113.70 115.48 2bq5 s SER 35 Ca 0.63 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2bq5 s SER 35 Cb -0.16 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2bq5 s SER 35 CO 0.55 -2.21 0.00 0.59 1.20 0.00 0.00 173.24 173.37 2bq5 n ASN 36 N -3.39 -1.45 -2.69 5.45 3.02 -1.26 -4.75 115.26 110.19 2bq5 n ASN 36 Ca 0.12 0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 2bq5 n ASN 36 Cb 0.60 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 2bq5 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2bq5 n SER 37 N 0.00 0.64 0.06 6.41 7.64 -1.26 -4.74 113.62 122.37 2bq5 n SER 37 Ca 0.00 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.58 2bq5 n SER 37 Cb 0.00 -0.51 0.50 0.00 -1.01 0.00 0.00 64.21 63.19 2bq5 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2bq5 h ARG 38 N 3.40 0.36 0.00 1.43 9.65 -1.91 -0.07 114.38 127.23 2bq5 h ARG 38 Ca -0.21 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2bq5 h ARG 38 Cb 0.80 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2bq5 h ARG 38 CO 0.58 0.24 0.04 0.66 2.80 0.00 0.00 179.97 184.29 2bq5 h SER 39 N 0.37 0.00 0.00 -3.80 4.64 -1.86 -1.96 113.55 110.94 2bq5 h SER 39 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2bq5 h SER 39 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bq5 h SER 39 CO -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.90 2bq5 n GLN 40 N -2.86 2.01 -1.59 4.77 6.02 -0.10 -3.42 117.38 122.21 2bq5 n GLN 40 Ca -0.03 -1.48 -0.30 0.00 -0.01 0.00 0.00 57.00 55.18 2bq5 n GLN 40 Cb 0.10 -0.97 0.07 0.00 1.02 0.00 0.00 30.24 30.46 2bq5 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bq5 s ALA 41 N -1.09 2.44 0.17 -1.58 0.00 -0.74 -4.84 121.76 116.13 2bq5 s ALA 41 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2bq5 s ALA 41 Cb 0.05 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2bq5 s ALA 41 CO 0.01 -1.51 0.40 0.71 0.00 0.00 0.00 175.76 175.37 2bq5 s TYR 42 N -3.14 3.47 -0.00 0.00 1.51 -1.26 -4.56 117.35 113.37 2bq5 s TYR 42 Ca 0.60 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 2bq5 s TYR 42 Cb -0.14 -2.00 -0.00 0.00 -0.11 0.00 0.00 41.96 39.71 2bq5 s TYR 42 CO 0.54 0.39 -0.03 0.21 -1.11 0.00 0.00 175.55 175.55 2bq5 s LYS 43 N -2.88 0.25 -0.02 -0.62 2.20 -1.15 -1.41 119.74 116.12 2bq5 s LYS 43 Ca 0.41 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 2bq5 s LYS 43 Cb -0.12 -0.26 0.02 0.00 -1.51 0.00 0.00 37.83 35.97 2bq5 s LYS 43 CO 0.26 0.05 -0.01 0.08 -0.36 0.00 0.00 175.35 175.37 2bq5 s VAL 44 N -0.01 0.21 0.07 4.02 1.01 -0.68 -0.79 120.40 124.24 2bq5 s VAL 44 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2bq5 s VAL 44 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2bq5 s VAL 44 CO -0.00 0.13 -0.12 0.42 0.00 0.00 0.00 175.10 175.52 2bq5 s THR 45 N 0.72 0.99 -0.04 3.92 -4.23 -0.15 -0.23 115.64 116.61 2bq5 s THR 45 Ca -0.07 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 2bq5 s THR 45 Cb -0.10 -1.05 0.04 0.00 1.34 0.00 0.00 72.50 72.72 2bq5 s THR 45 CO -0.01 -0.32 0.40 0.00 -0.54 0.00 0.00 174.62 174.15 2bq5 s SER 47 N -1.09 -0.33 0.00 0.00 1.04 -0.97 -1.14 113.70 111.21 2bq5 s SER 47 Ca -0.11 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 2bq5 s SER 47 Cb -0.04 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 2bq5 s SER 47 CO 0.05 -0.70 -0.01 -0.69 0.98 0.00 0.00 173.24 172.87 2bq5 s VAL 48 N -3.19 0.02 0.07 5.02 1.01 -1.26 -1.28 120.40 120.79 2bq5 s VAL 48 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2bq5 s VAL 48 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 2bq5 s VAL 48 CO -0.07 -0.09 0.12 0.00 0.00 0.00 0.00 175.10 175.06 2bq5 s ARG 49 N -0.26 0.73 -0.95 2.72 1.70 -0.96 -4.98 118.95 116.95 2bq5 s ARG 49 Ca -0.03 -0.96 -0.22 0.00 -0.47 0.00 0.00 55.73 54.05 2bq5 s ARG 49 Cb -0.02 0.28 0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2bq5 s ARG 49 CO -0.00 -0.20 1.31 -1.14 -1.08 0.00 0.00 175.30 174.19 2bq5 s GLN 50 N -3.54 3.53 0.34 3.89 2.00 -1.26 -0.16 119.66 124.45 2bq5 s GLN 50 Ca 0.03 -1.22 0.06 0.00 -2.00 0.00 0.00 55.36 52.23 2bq5 s GLN 50 Cb 0.04 -5.06 0.73 0.00 0.80 0.00 0.00 33.01 29.52 2bq5 s GLN 50 CO -0.09 -2.05 1.88 0.66 -0.50 0.00 0.00 175.29 175.18 2bq5 h SER 51 N 9.51 0.73 -0.37 6.67 4.64 -1.66 -3.46 113.55 129.61 2bq5 h SER 51 Ca 0.12 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2bq5 h SER 51 Cb 1.02 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2bq5 h SER 51 CO 1.31 0.39 0.00 -1.54 -0.87 0.00 0.00 176.83 176.12 2bq5 n SER 52 N -4.56 0.00 0.05 4.97 3.41 -1.01 -4.99 113.62 111.48 2bq5 n SER 52 Ca 0.17 -0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 2bq5 n SER 52 Cb 0.40 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2bq5 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bq5 h ALA 53 N 1.49 0.46 0.00 7.33 0.00 -2.03 -3.33 119.26 123.17 2bq5 h ALA 53 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2bq5 h ALA 53 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2bq5 h ALA 53 CO 0.00 0.77 -1.72 1.04 0.00 0.00 0.00 179.25 179.34 2bq5 n GLN 54 N -3.82 0.64 -4.40 0.00 1.13 -1.26 -4.90 117.38 104.77 2bq5 n GLN 54 Ca -0.06 0.05 -0.24 0.00 -1.94 0.00 0.00 57.00 54.81 2bq5 n GLN 54 Cb 0.76 -1.67 -0.11 0.00 0.11 0.00 0.00 30.24 29.33 2bq5 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2bq5 s ASN 55 N -5.32 3.16 0.17 1.08 0.01 -1.25 0.42 114.94 113.20 2bq5 s ASN 55 Ca -0.05 -0.92 0.10 0.00 -0.71 0.00 0.00 52.86 51.28 2bq5 s ASN 55 Cb 0.10 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.49 2bq5 s ASN 55 CO 0.84 0.03 -0.17 -0.13 -1.51 0.00 0.00 177.10 176.16 2bq5 s ARG 56 N -2.99 1.80 -0.03 -0.60 0.52 -0.90 -1.90 118.95 114.85 2bq5 s ARG 56 Ca 0.21 -1.33 -0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2bq5 s ARG 56 Cb -0.06 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.39 2bq5 s ARG 56 CO 0.10 0.44 0.01 0.21 0.02 0.00 0.00 175.30 176.07 2bq5 s LYS 57 N -2.58 0.28 0.16 3.54 2.20 0.77 -1.26 119.74 122.85 2bq5 s LYS 57 Ca 0.21 0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.86 2bq5 s LYS 57 Cb -0.09 -0.52 -0.06 0.00 -1.51 0.00 0.00 37.83 35.64 2bq5 s LYS 57 CO 0.12 -0.17 0.45 0.71 -0.36 0.00 0.00 175.35 176.10 2bq5 s TYR 58 N 1.22 3.49 -0.25 4.03 1.51 0.13 -2.26 117.35 125.23 2bq5 s TYR 58 Ca -0.07 0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 56.71 2bq5 s TYR 58 Cb -0.13 -2.15 0.08 0.00 -0.11 0.00 0.00 41.96 39.65 2bq5 s TYR 58 CO -0.02 0.40 0.07 0.99 -1.11 0.00 0.00 175.55 175.88 2bq5 s THR 59 N -1.64 0.51 0.03 -0.71 2.01 -0.40 -1.77 115.64 113.68 2bq5 s THR 59 Ca 0.41 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.60 2bq5 s THR 59 Cb -0.12 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2bq5 s THR 59 CO 0.22 -0.44 0.01 -0.63 -0.69 0.00 0.00 174.62 173.08 2bq5 s ILE 60 N 1.83 4.16 -0.05 1.82 -1.09 -0.04 -2.29 121.20 125.54 2bq5 s ILE 60 Ca 0.04 -0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 57.68 2bq5 s ILE 60 Cb -0.17 -2.91 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 2bq5 s ILE 60 CO -0.18 0.27 0.14 -0.54 -1.23 0.00 0.00 174.94 173.40 2bq5 s LYS 61 N -1.87 0.16 -0.01 2.79 1.02 0.17 -0.85 119.74 121.16 2bq5 s LYS 61 Ca 0.22 0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.43 2bq5 s LYS 61 Cb -0.12 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 2bq5 s LYS 61 CO 0.14 -0.02 -0.04 0.08 -0.92 0.00 0.00 175.35 174.58 2bq5 s VAL 62 N 0.09 0.39 -0.14 3.17 1.01 0.19 -0.97 120.40 124.14 2bq5 s VAL 62 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2bq5 s VAL 62 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2bq5 s VAL 62 CO 0.00 0.13 -0.20 -1.61 0.00 0.00 0.00 175.10 173.42 2bq5 s GLU 63 N 0.09 3.09 -0.25 2.72 2.02 0.03 -0.55 118.70 125.84 2bq5 s GLU 63 Ca -0.01 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 2bq5 s GLU 63 Cb -0.04 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.74 2bq5 s GLU 63 CO -0.00 0.03 -0.05 0.08 0.02 0.00 0.00 175.26 175.33 2bq5 s VAL 64 N 0.74 2.91 0.15 2.63 1.01 -0.37 -2.92 120.40 124.56 2bq5 s VAL 64 Ca -0.08 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 2bq5 s VAL 64 Cb -0.16 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 2bq5 s VAL 64 CO 0.00 0.18 0.49 -2.16 0.00 0.00 0.00 175.10 173.61 2bq5 s PRO 65 N 1.32 3.83 -0.57 2.72 0.04 -1.26 0.04 135.00 141.12 2bq5 s PRO 65 Ca -0.00 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.19 2bq5 s PRO 65 Cb -0.17 -2.86 0.14 0.00 0.04 0.00 0.00 34.50 31.65 2bq5 s PRO 65 CO -0.04 0.45 0.51 0.21 0.04 0.00 0.00 177.00 178.17 2bq5 s LYS 66 N -2.26 2.97 0.27 4.56 2.47 0.11 -4.98 119.74 122.89 2bq5 s LYS 66 Ca 0.40 -1.85 -0.30 0.00 -1.56 0.00 0.00 55.97 52.65 2bq5 s LYS 66 Cb -0.13 -4.23 -0.12 0.00 -1.46 0.00 0.00 37.83 31.88 2bq5 s LYS 66 CO 0.20 -1.29 1.58 0.28 0.16 0.00 0.00 175.35 176.28 2bq5 n VAL 67 N 4.95 0.89 -3.57 4.02 0.31 -1.26 0.47 118.33 124.14 2bq5 n VAL 67 Ca -0.08 -0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 2bq5 n VAL 67 Cb 0.41 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 2bq5 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bq5 s ALA 68 N 0.13 -1.59 -0.16 3.52 0.00 -0.74 -4.73 121.76 118.19 2bq5 s ALA 68 Ca 0.66 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 2bq5 s ALA 68 Cb -0.52 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2bq5 s ALA 68 CO 0.47 -0.84 0.05 0.99 0.00 0.00 0.00 175.76 176.43 2bq5 s THR 69 N -3.56 4.73 -0.32 0.00 2.01 -1.26 -1.08 115.64 116.16 2bq5 s THR 69 Ca 0.05 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 2bq5 s THR 69 Cb -0.02 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.43 2bq5 s THR 69 CO -0.06 0.49 0.05 -1.58 -0.69 0.00 0.00 174.62 172.83 2bq5 s GLN 70 N 0.11 2.54 -0.24 4.92 0.74 -0.39 -4.95 119.66 122.39 2bq5 s GLN 70 Ca 0.05 -1.21 -0.10 0.00 0.05 0.00 0.00 55.36 54.14 2bq5 s GLN 70 Cb -0.12 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 2bq5 s GLN 70 CO 0.01 -0.63 0.16 0.99 -0.55 0.00 0.00 175.29 175.27 2bq5 s THR 71 N 1.33 5.34 -0.11 -0.34 2.01 -1.26 -1.37 115.64 121.24 2bq5 s THR 71 Ca -0.03 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2bq5 s THR 71 Cb -0.20 -3.49 0.06 0.00 0.01 0.00 0.00 72.50 68.88 2bq5 s THR 71 CO 0.01 0.34 0.18 -0.69 -0.69 0.00 0.00 174.62 173.76 2bq5 s VAL 72 N 1.14 -0.28 -0.55 3.82 1.01 -0.71 -4.76 120.40 120.08 2bq5 s VAL 72 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2bq5 s VAL 72 Cb -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2bq5 s VAL 72 CO 0.05 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2bq5 n GLY 73 N 5.32 0.77 1.92 4.51 0.00 -1.26 -2.11 105.19 114.34 2bq5 n GLY 73 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2bq5 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bq5 n GLY 74 N -2.04 0.46 3.15 -0.02 0.00 -1.26 -5.02 105.19 100.46 2bq5 n GLY 74 Ca -0.05 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2bq5 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bq5 s VAL 75 N -2.00 2.63 -0.05 1.61 1.01 -0.90 -5.10 120.40 117.60 2bq5 s VAL 75 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2bq5 s VAL 75 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2bq5 s VAL 75 CO 0.00 0.12 0.21 -1.83 0.00 0.00 0.00 175.10 173.61 2bq5 s GLU 76 N 1.25 3.53 0.05 2.72 -1.05 -1.26 -1.74 118.70 122.20 2bq5 s GLU 76 Ca -0.03 -0.10 0.04 0.00 -0.15 0.00 0.00 54.97 54.74 2bq5 s GLU 76 Cb -0.18 -3.14 -0.02 0.00 -0.44 0.00 0.00 34.13 30.35 2bq5 s GLU 76 CO -0.05 0.71 -0.12 -0.51 0.95 0.00 0.00 175.26 176.24 2bq5 s LEU 77 N -1.44 2.21 -0.14 1.83 1.43 -0.47 -4.96 118.68 117.15 2bq5 s LEU 77 Ca 0.22 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 2bq5 s LEU 77 Cb -0.13 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2bq5 s LEU 77 CO 0.11 -0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.89 2bq5 s PRO 78 N -1.37 4.34 0.19 1.29 0.02 -1.26 -1.26 135.00 136.96 2bq5 s PRO 78 Ca -0.02 1.47 0.04 0.00 0.02 0.00 0.00 61.00 62.51 2bq5 s PRO 78 Cb -0.09 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.82 2bq5 s PRO 78 CO 0.01 -0.47 0.16 1.33 -0.33 0.00 0.00 177.00 177.70 2bq5 n VAL 79 N 4.87 0.00 -3.90 3.83 0.24 -0.24 -4.73 118.33 118.39 2bq5 n VAL 79 Ca 0.11 -1.39 -0.35 0.00 -2.04 0.00 0.00 64.34 60.67 2bq5 n VAL 79 Cb 0.47 0.68 -0.14 0.00 -1.47 0.00 0.00 33.84 33.38 2bq5 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bq5 s ALA 80 N -2.76 2.80 0.26 2.33 0.00 -1.22 -1.79 121.76 121.39 2bq5 s ALA 80 Ca 0.22 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2bq5 s ALA 80 Cb 0.01 -1.82 0.54 0.00 0.00 0.00 0.00 23.12 21.85 2bq5 s ALA 80 CO 0.16 -0.85 1.76 0.00 0.00 0.00 0.00 175.76 176.83 2bq5 h ALA 81 N 8.07 1.29 -2.51 0.00 0.00 -0.27 -3.45 119.26 122.39 2bq5 h ALA 81 Ca -0.32 0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.82 2bq5 h ALA 81 Cb 1.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2bq5 h ALA 81 CO 0.58 -0.08 0.50 1.67 0.00 0.00 0.00 179.25 181.91 2bq5 s TRP 82 N -5.97 -0.02 0.04 0.00 1.48 -1.25 -5.01 118.94 108.21 2bq5 s TRP 82 Ca -0.12 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.57 2bq5 s TRP 82 Cb 0.22 0.69 -0.02 0.00 -1.16 0.00 0.00 33.47 33.20 2bq5 s TRP 82 CO 0.78 -0.97 -0.09 1.03 -4.06 0.00 0.00 176.95 173.65 2bq5 s ARG 83 N -2.72 0.58 -0.17 3.25 0.52 -1.26 -0.71 118.95 118.44 2bq5 s ARG 83 Ca 0.17 -0.70 -0.10 0.00 -0.52 0.00 0.00 55.73 54.58 2bq5 s ARG 83 Cb -0.02 -0.43 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 2bq5 s ARG 83 CO 0.05 0.09 0.17 0.45 0.02 0.00 0.00 175.30 176.08 2bq5 s SER 84 N -1.35 6.31 -0.17 0.23 0.15 0.11 -4.93 113.70 114.04 2bq5 s SER 84 Ca -0.06 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 2bq5 s SER 84 Cb -0.09 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.11 2bq5 s SER 84 CO 0.01 0.23 -0.10 -0.31 1.20 0.00 0.00 173.24 174.26 2bq5 s TYR 85 N 0.01 2.87 -0.07 3.44 1.51 -1.26 -1.23 117.35 122.61 2bq5 s TYR 85 Ca 0.11 -0.87 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 2bq5 s TYR 85 Cb -0.12 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2bq5 s TYR 85 CO 0.01 -0.41 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.69 2bq5 s LEU 86 N 0.89 2.50 -0.13 -1.29 2.96 0.29 -5.00 118.68 118.90 2bq5 s LEU 86 Ca -0.03 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2bq5 s LEU 86 Cb -0.15 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 45.10 2bq5 s LEU 86 CO -0.00 0.27 0.29 0.00 -1.32 0.00 0.00 176.35 175.59 2bq5 s ALA 87 N -0.27 -0.68 0.05 5.97 0.00 -1.26 -0.64 121.76 124.93 2bq5 s ALA 87 Ca 0.01 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2bq5 s ALA 87 Cb -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2bq5 s ALA 87 CO 0.03 -0.42 -0.08 0.00 0.00 0.00 0.00 175.76 175.29 2bq5 s MET 88 N 1.83 0.59 -0.08 0.00 0.23 -0.03 -5.01 119.30 116.83 2bq5 s MET 88 Ca -0.05 -0.84 0.01 0.00 -1.03 0.00 0.00 55.69 53.78 2bq5 s MET 88 Cb -0.11 -0.32 0.02 0.00 -1.53 0.00 0.00 34.83 32.89 2bq5 s MET 88 CO -0.09 0.05 -0.09 0.15 -2.03 0.00 0.00 175.02 173.01 2bq5 s LYS 89 N -1.87 1.47 -0.14 3.16 1.02 -1.26 -0.86 119.74 121.26 2bq5 s LYS 89 Ca -0.07 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.66 2bq5 s LYS 89 Cb -0.08 -1.37 0.01 0.00 -0.52 0.00 0.00 37.83 35.86 2bq5 s LYS 89 CO -0.00 -0.11 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.94 2bq5 s LEU 90 N 1.15 2.18 -0.15 3.17 2.96 -0.73 -4.95 118.68 122.30 2bq5 s LEU 90 Ca -0.06 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 2bq5 s LEU 90 Cb -0.14 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2bq5 s LEU 90 CO -0.02 0.08 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.15 2bq5 s THR 91 N 0.80 3.70 -0.07 3.68 2.01 -1.26 0.23 115.64 124.73 2bq5 s THR 91 Ca -0.07 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 2bq5 s THR 91 Cb -0.16 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.77 2bq5 s THR 91 CO -0.01 0.50 0.00 -0.63 -0.69 0.00 0.00 174.62 173.78 2bq5 s ILE 92 N 0.41 0.37 0.67 1.82 1.01 -0.39 -4.98 121.20 120.11 2bq5 s ILE 92 Ca -0.05 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.55 2bq5 s ILE 92 Cb -0.15 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2bq5 s ILE 92 CO 0.03 0.26 0.68 -2.65 0.00 0.00 0.00 174.94 173.26 2bq5 n PRO 93 N 5.09 0.48 0.00 2.79 -0.02 -1.26 -2.12 135.00 139.96 2bq5 n PRO 93 Ca -0.08 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2bq5 n PRO 93 Cb 0.50 -1.93 0.47 0.00 -0.02 0.00 0.00 33.50 32.52 2bq5 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2bq5 n ILE 94 N -2.16 0.39 1.21 4.25 -5.35 0.17 -2.26 119.36 115.60 2bq5 n ILE 94 Ca 0.12 0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.82 2bq5 n ILE 94 Cb 0.49 -0.80 0.39 0.00 -1.74 0.00 0.00 39.64 37.99 2bq5 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bq5 n PHE 95 N -1.24 0.00 -2.28 4.28 3.72 -1.26 -4.85 117.46 115.83 2bq5 n PHE 95 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 2bq5 n PHE 95 Cb 0.13 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2bq5 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bq5 s ALA 96 N -2.61 3.60 0.84 4.37 0.00 -0.96 -5.00 121.76 122.01 2bq5 s ALA 96 Ca 0.22 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 2bq5 s ALA 96 Cb 0.19 -3.62 0.14 0.00 0.00 0.00 0.00 23.12 19.83 2bq5 s ALA 96 CO 0.55 -1.08 1.18 0.95 0.00 0.00 0.00 175.76 177.36 2bq5 s THR 97 N 3.07 2.08 0.59 0.00 -4.23 -1.26 -4.86 115.64 111.03 2bq5 s THR 97 Ca 0.61 -0.18 0.30 0.00 -1.18 0.00 0.00 61.69 61.24 2bq5 s THR 97 Cb -0.27 -2.90 0.36 0.00 1.34 0.00 0.00 72.50 71.02 2bq5 s THR 97 CO 0.22 0.00 2.23 0.78 -0.54 0.00 0.00 174.62 177.31 2bq5 h ASN 98 N -1.14 0.00 0.01 3.99 4.21 -2.01 -2.18 115.58 118.46 2bq5 h ASN 98 Ca -0.43 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.08 2bq5 h ASN 98 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 2bq5 h ASN 98 CO 0.46 0.00 -0.01 0.28 -1.29 0.00 0.00 177.43 176.87 2bq5 h SER 99 N 0.00 -0.01 -1.14 5.81 0.02 -2.00 -3.05 113.55 113.18 2bq5 h SER 99 Ca 0.02 -0.80 0.32 0.00 -0.84 0.00 0.00 61.79 60.49 2bq5 h SER 99 Cb 0.10 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.55 2bq5 h SER 99 CO -0.00 0.85 0.75 0.44 -1.14 0.00 0.00 176.83 177.73 2bq5 h ASP 100 N -0.94 0.33 -0.10 3.07 3.32 -1.76 0.25 116.42 120.59 2bq5 h ASP 100 Ca -0.00 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2bq5 h ASP 100 Cb 0.81 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.40 2bq5 h ASP 100 CO 0.00 0.01 -0.43 0.00 -1.72 0.00 0.00 179.24 177.10 2bq5 h GLU 102 N 0.03 0.36 -0.13 0.00 5.08 -0.87 -0.40 114.58 118.65 2bq5 h GLU 102 Ca -0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2bq5 h GLU 102 Cb 1.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2bq5 h GLU 102 CO 0.09 0.24 -0.11 1.25 -1.00 0.00 0.00 179.01 179.48 2bq5 h LEU 103 N 0.37 0.32 -1.56 1.33 5.85 -1.30 -1.72 115.31 118.60 2bq5 h LEU 103 Ca 0.16 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.51 2bq5 h LEU 103 Cb 0.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2bq5 h LEU 103 CO -0.04 0.71 0.41 0.40 -0.34 0.00 0.00 178.44 179.59 2bq5 h ILE 104 N -0.06 0.94 -0.06 4.05 2.04 -0.68 -0.80 117.51 122.93 2bq5 h ILE 104 Ca 0.02 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2bq5 h ILE 104 Cb 0.61 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2bq5 h ILE 104 CO 0.03 0.09 -0.19 0.58 0.00 0.00 0.00 178.15 178.66 2bq5 h VAL 105 N 0.51 1.43 -0.97 1.67 2.07 -0.94 -2.62 116.25 117.40 2bq5 h VAL 105 Ca 0.28 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 66.36 2bq5 h VAL 105 Cb 0.42 2.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 2bq5 h VAL 105 CO -0.08 0.44 0.60 0.11 0.02 0.00 0.00 177.57 178.65 2bq5 h LYS 106 N -0.27 0.88 -0.61 1.57 1.57 -0.61 0.32 116.57 119.42 2bq5 h LYS 106 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2bq5 h LYS 106 Cb 0.81 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2bq5 h LYS 106 CO 0.04 0.58 0.31 0.00 -0.57 0.00 0.00 179.45 179.81 2bq5 h ALA 107 N 1.55 1.38 -0.16 3.86 0.00 -1.11 0.19 119.26 124.98 2bq5 h ALA 107 Ca 0.50 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2bq5 h ALA 107 Cb 0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bq5 h ALA 107 CO -0.29 0.49 -0.21 0.52 0.00 0.00 0.00 179.25 179.75 2bq5 h MET 108 N 0.86 0.43 -0.34 0.00 2.86 -0.11 -1.62 114.93 117.02 2bq5 h MET 108 Ca 0.22 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2bq5 h MET 108 Cb 0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2bq5 h MET 108 CO -0.03 0.83 0.17 1.96 1.06 0.00 0.00 176.91 180.89 2bq5 h GLN 109 N 0.06 0.48 -0.84 1.72 4.20 -0.53 -2.57 115.11 117.62 2bq5 h GLN 109 Ca 0.02 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.68 2bq5 h GLN 109 Cb 0.78 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 2bq5 h GLN 109 CO 0.05 0.43 0.56 0.78 -0.67 0.00 0.00 178.83 179.98 2bq5 h GLY 110 N 0.41 1.19 0.78 3.46 0.00 -0.63 0.08 103.07 108.36 2bq5 h GLY 110 Ca 0.12 -0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.11 2bq5 h GLY 110 CO -0.02 0.41 0.55 -2.00 0.00 0.00 0.00 176.54 175.49 2bq5 h LEU 111 N 1.12 0.73 -1.76 3.11 5.85 -0.88 -2.71 115.31 120.77 2bq5 h LEU 111 Ca 0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2bq5 h LEU 111 Cb -0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2bq5 h LEU 111 CO -0.08 0.44 -0.01 0.18 -0.34 0.00 0.00 178.44 178.63 2bq5 n LEU 112 N -4.52 2.64 -4.70 2.25 4.77 -0.76 -4.18 117.00 112.51 2bq5 n LEU 112 Ca 0.14 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 2bq5 n LEU 112 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2bq5 n LEU 112 CO 0.32 0.46 0.90 1.17 -1.33 0.00 0.00 177.39 178.90 2bq5 n LYS 113 N 1.10 2.04 -1.60 3.23 4.81 -0.06 -4.69 118.16 123.00 2bq5 n LYS 113 Ca 0.12 0.72 -0.45 0.00 -0.87 0.00 0.00 58.31 57.83 2bq5 n LYS 113 Cb 0.49 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.16 2bq5 n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bq5 n ASP 114 N 0.46 1.42 0.00 3.14 8.00 -1.26 -1.98 116.55 126.33 2bq5 n ASP 114 Ca 0.05 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2bq5 n ASP 114 Cb 0.38 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2bq5 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bq5 n GLY 115 N 1.29 2.40 3.74 0.44 0.00 -1.26 -5.02 105.19 106.77 2bq5 n GLY 115 Ca 0.10 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2bq5 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bq5 s ASN 116 N 0.14 4.86 0.06 1.61 0.01 -0.84 -4.83 114.94 115.95 2bq5 s ASN 116 Ca 0.00 2.54 -0.12 0.00 -0.71 0.00 0.00 52.86 54.57 2bq5 s ASN 116 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 2bq5 s ASN 116 CO 0.00 -1.83 1.02 -2.65 -1.51 0.00 0.00 177.10 172.13 2bq5 n PRO 117 N -1.74 -0.16 0.28 -0.60 -0.02 -1.26 -2.56 135.00 128.94 2bq5 n PRO 117 Ca 0.15 1.01 -0.17 0.00 -2.02 0.00 0.00 63.50 62.47 2bq5 n PRO 117 Cb 0.49 -1.49 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 2bq5 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bq5 h ILE 118 N 0.00 0.28 -0.04 4.25 2.04 -1.92 -0.37 117.51 121.76 2bq5 h ILE 118 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2bq5 h ILE 118 Cb 0.15 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2bq5 h ILE 118 CO -0.35 0.00 0.03 1.55 0.00 0.00 0.00 178.15 179.38 2bq5 h PRO 119 N -0.82 0.00 0.50 2.37 0.13 -1.72 -2.18 132.00 130.28 2bq5 h PRO 119 Ca -0.05 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2bq5 h PRO 119 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2bq5 h PRO 119 CO 0.02 0.00 -0.24 0.77 -0.23 0.00 0.00 178.00 178.32 2bq5 h SER 120 N 0.00 -0.57 -0.50 1.44 0.02 -1.18 -2.28 113.55 110.48 2bq5 h SER 120 Ca 0.02 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2bq5 h SER 120 Cb 0.07 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 2bq5 h SER 120 CO -0.00 -0.23 0.05 0.00 -1.14 0.00 0.00 176.83 175.51 2bq5 h ALA 121 N -0.60 0.53 0.32 3.77 0.00 -0.77 -2.20 119.26 120.30 2bq5 h ALA 121 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bq5 h ALA 121 Cb 0.60 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2bq5 h ALA 121 CO 0.11 -0.35 -0.45 0.82 0.00 0.00 0.00 179.25 179.39 2bq5 h ILE 122 N 0.18 0.11 0.00 0.00 2.04 -1.40 0.15 117.51 118.59 2bq5 h ILE 122 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2bq5 h ILE 122 Cb 0.37 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2bq5 h ILE 122 CO -0.37 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.78 2bq5 n ALA 123 N -2.80 1.65 -0.43 1.87 0.00 -0.86 -1.54 120.51 118.40 2bq5 n ALA 123 Ca -0.10 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2bq5 n ALA 123 Cb 0.41 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 18.86 2bq5 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bq5 n ALA 124 N -1.16 2.29 -3.02 0.00 0.00 -0.70 -4.95 120.51 112.97 2bq5 n ALA 124 Ca 0.05 -1.57 -0.21 0.00 0.00 0.00 0.00 53.44 51.70 2bq5 n ALA 124 Cb 0.05 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.17 2bq5 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bq5 n ASN 125 N -0.34 -5.05 -4.50 0.00 3.02 -0.59 -4.95 115.26 102.85 2bq5 n ASN 125 Ca 0.10 -0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 2bq5 n ASN 125 Cb 0.49 -4.13 -0.10 0.00 -0.61 0.00 0.00 39.78 35.43 2bq5 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bq5 s SER 126 N -2.58 3.08 0.00 6.41 0.01 0.45 -5.04 113.70 116.03 2bq5 s SER 126 Ca 0.28 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2bq5 s SER 126 Cb -0.13 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2bq5 s SER 126 CO 0.34 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2bq5 n GLY 127 N -0.87 4.05 3.59 3.44 0.00 -1.26 -4.05 105.19 110.09 2bq5 n GLY 127 Ca -0.05 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 2bq5 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bq5 s ILE 128 N 2.87 4.66 0.00 -0.61 -1.09 -1.26 -4.76 121.20 121.01 2bq5 s ILE 128 Ca 0.00 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2bq5 s ILE 128 Cb 0.00 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 2bq5 s ILE 128 CO 0.00 0.43 0.09 0.00 -1.23 0.00 0.00 174.94 174.22