#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s LEU 10 N 0.00 4.11 -0.33 -1.84 1.43 -1.26 -4.21 118.68 116.59 2qbf s LEU 10 Ca 0.00 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2qbf s LEU 10 Cb 0.00 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2qbf s LEU 10 CO 0.00 -0.10 0.19 -1.10 0.23 0.00 0.00 176.35 175.57 2qbf s GLN 11 N 1.54 3.33 -0.13 1.70 -0.21 0.54 -4.98 119.66 121.45 2qbf s GLN 11 Ca 0.17 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 2qbf s GLN 11 Cb -0.15 -3.67 -0.03 0.00 1.00 0.00 0.00 33.01 30.16 2qbf s GLN 11 CO 0.08 -0.46 -0.06 -1.21 -2.12 0.00 0.00 175.29 171.52 2qbf s GLU 12 N 1.65 3.45 -0.03 2.91 2.02 -1.26 -1.97 118.70 125.47 2qbf s GLU 12 Ca 0.05 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 2qbf s GLU 12 Cb -0.17 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.28 2qbf s GLU 12 CO 0.08 0.32 0.04 0.21 0.02 0.00 0.00 175.26 175.92 2qbf s LYS 13 N 0.14 -0.04 -0.72 1.61 2.47 -1.17 -5.04 119.74 116.98 2qbf s LYS 13 Ca -0.02 0.23 -0.20 0.00 -1.56 0.00 0.00 55.97 54.42 2qbf s LYS 13 Cb -0.14 -0.32 0.10 0.00 -1.46 0.00 0.00 37.83 36.02 2qbf s LYS 13 CO 0.03 -0.21 0.92 -1.17 0.16 0.00 0.00 175.35 175.08 2qbf s LEU 14 N 1.35 5.00 0.04 5.43 1.98 -1.26 -2.28 118.68 128.93 2qbf s LEU 14 Ca -0.06 -1.50 -0.16 0.00 -2.89 0.00 0.00 54.13 49.53 2qbf s LEU 14 Cb -0.13 -2.37 -0.07 0.00 0.66 0.00 0.00 46.19 44.28 2qbf s LEU 14 CO -0.03 -1.20 1.25 0.40 -1.89 0.00 0.00 176.35 174.88 2qbf h ILE 15 N 5.86 0.00 -2.52 6.68 2.04 -1.46 -3.48 117.51 124.63 2qbf h ILE 15 Ca -0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.78 2qbf h ILE 15 Cb 1.06 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.01 2qbf h ILE 15 CO 1.12 0.00 0.40 0.00 0.00 0.00 0.00 178.15 179.67 2qbf s ALA 16 N -4.42 -1.72 -0.04 1.87 0.00 -1.09 -4.98 121.76 111.39 2qbf s ALA 16 Ca -0.08 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 2qbf s ALA 16 Cb 0.02 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2qbf s ALA 16 CO 0.27 -0.76 0.07 0.54 0.00 0.00 0.00 175.76 175.88 2qbf s VAL 17 N -3.35 -0.06 0.32 0.00 0.11 -1.26 -0.22 120.40 115.94 2qbf s VAL 17 Ca 0.05 0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.38 2qbf s VAL 17 Cb -0.01 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 2qbf s VAL 17 CO -0.09 0.08 0.13 0.20 -3.33 0.00 0.00 175.10 172.10 2qbf s ASN 18 N 1.10 4.78 0.00 3.54 -0.87 -0.03 -4.94 114.94 118.52 2qbf s ASN 18 Ca -0.09 -0.68 0.00 0.00 -1.57 0.00 0.00 52.86 50.52 2qbf s ASN 18 Cb -0.12 -0.83 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 2qbf s ASN 18 CO -0.04 -0.23 0.00 -1.14 -2.57 0.00 0.00 177.10 173.13 2qbf n ARG 19 N -1.13 0.00 -0.44 -0.60 0.63 -1.26 -1.28 116.66 112.58 2qbf n ARG 19 Ca -0.04 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 2qbf n ARG 19 Cb 0.60 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.59 2qbf n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qbf n VAL 20 N -1.93 -1.51 -4.10 5.15 0.31 -1.26 -2.35 118.33 112.64 2qbf n VAL 20 Ca 0.00 0.54 -0.11 0.00 -0.01 0.00 0.00 64.34 64.77 2qbf n VAL 20 Cb 0.00 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.05 2qbf n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qbf s SER 21 N -3.03 0.05 -0.23 4.52 0.15 -1.26 -2.54 113.70 111.36 2qbf s SER 21 Ca 0.00 -1.16 -0.03 0.00 0.70 0.00 0.00 55.95 55.46 2qbf s SER 21 Cb 0.00 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 2qbf s SER 21 CO 0.00 -0.96 0.29 -0.75 1.20 0.00 0.00 173.24 173.03 2qbf s LYS 22 N -4.08 0.27 0.22 5.44 2.20 -0.24 -4.93 119.74 118.62 2qbf s LYS 22 Ca 0.30 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 2qbf s LYS 22 Cb 0.04 -0.85 -0.08 0.00 -1.51 0.00 0.00 37.83 35.43 2qbf s LYS 22 CO 0.09 -0.71 1.05 -0.08 -0.36 0.00 0.00 175.35 175.34 2qbf s THR 23 N 2.42 3.86 0.31 3.43 -1.32 -1.26 0.17 115.64 123.25 2qbf s THR 23 Ca 0.09 1.74 0.04 0.00 -1.21 0.00 0.00 61.69 62.36 2qbf s THR 23 Cb -0.15 -4.11 -0.03 0.00 -1.51 0.00 0.00 72.50 66.69 2qbf s THR 23 CO -0.17 0.36 0.19 0.68 -2.21 0.00 0.00 174.62 173.48 2qbf s VAL 24 N -0.75 0.20 0.32 5.08 -7.23 0.44 -4.91 120.40 113.56 2qbf s VAL 24 Ca 0.45 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 2qbf s VAL 24 Cb -0.29 -2.49 0.37 0.00 0.56 0.00 0.00 36.38 34.53 2qbf s VAL 24 CO 0.36 0.00 1.60 0.07 -0.31 0.00 0.00 175.10 176.81 2qbf h LYS 25 N 2.19 0.07 0.27 4.82 2.10 -2.02 -0.79 116.57 123.21 2qbf h LYS 25 Ca -0.31 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 2qbf h LYS 25 Cb 1.25 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2qbf h LYS 25 CO 0.47 0.05 -0.13 0.78 -2.00 0.00 0.00 179.45 178.62 2qbf h GLY 26 N 0.07 -0.38 0.00 0.07 0.00 -2.00 -3.50 103.07 97.34 2qbf h GLY 26 Ca 0.66 0.14 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2qbf h GLY 26 CO -0.80 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 176.21 2qbf n GLY 27 N -0.25 -0.85 3.89 4.60 0.00 -0.30 -5.14 105.19 107.14 2qbf n GLY 27 Ca -0.09 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2qbf n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbf s ARG 28 N -0.06 3.47 -0.37 1.61 1.70 -1.26 0.17 118.95 124.20 2qbf s ARG 28 Ca 0.00 -0.20 -0.04 0.00 -0.47 0.00 0.00 55.73 55.02 2qbf s ARG 28 Cb 0.00 -3.13 0.08 0.00 -0.57 0.00 0.00 34.95 31.33 2qbf s ARG 28 CO 0.00 0.71 0.15 0.42 -1.08 0.00 0.00 175.30 175.49 2qbf s ILE 29 N -1.22 3.44 1.15 4.99 1.01 0.13 -4.90 121.20 125.80 2qbf s ILE 29 Ca 0.23 -1.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.11 2qbf s ILE 29 Cb -0.13 -3.16 0.28 0.00 0.01 0.00 0.00 42.46 39.46 2qbf s ILE 29 CO 0.13 -0.44 1.03 0.72 0.00 0.00 0.00 174.94 176.38 2qbf s PHE 30 N 1.26 1.43 -0.04 3.97 -0.12 -1.26 -1.07 117.98 122.15 2qbf s PHE 30 Ca 0.02 1.14 -0.23 0.00 -0.05 0.00 0.00 56.93 57.81 2qbf s PHE 30 Cb -0.22 -3.12 0.08 0.00 -0.63 0.00 0.00 43.02 39.13 2qbf s PHE 30 CO -0.01 -3.80 1.04 0.45 -0.05 0.00 0.00 175.22 172.85 2qbf n SER 31 N -4.86 -0.90 -3.71 1.98 2.88 -1.05 -4.82 113.62 103.14 2qbf n SER 31 Ca 0.03 -1.14 -0.14 0.00 -1.33 0.00 0.00 58.87 56.29 2qbf n SER 31 Cb 0.55 1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 65.31 2qbf n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qbf s PHE 32 N -2.17 -0.28 -0.03 0.66 0.08 -0.99 -4.16 117.98 111.08 2qbf s PHE 32 Ca 0.25 0.44 -0.01 0.00 0.12 0.00 0.00 56.93 57.73 2qbf s PHE 32 Cb -0.00 0.17 0.03 0.00 -0.57 0.00 0.00 43.02 42.64 2qbf s PHE 32 CO -0.01 -0.44 0.04 0.95 -0.10 0.00 0.00 175.22 175.65 2qbf s THR 33 N -1.35 -0.02 -0.12 0.64 -4.23 -0.40 -2.10 115.64 108.06 2qbf s THR 33 Ca -0.13 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 2qbf s THR 33 Cb -0.04 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 73.64 2qbf s THR 33 CO 0.05 0.15 -0.21 0.00 -0.54 0.00 0.00 174.62 174.07 2qbf s ALA 34 N 1.61 2.27 -0.24 3.99 0.00 -0.79 -0.85 121.76 127.75 2qbf s ALA 34 Ca -0.02 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 2qbf s ALA 34 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2qbf s ALA 34 CO -0.03 0.14 0.13 -1.17 0.00 0.00 0.00 175.76 174.83 2qbf s LEU 35 N 0.55 3.88 0.22 0.00 2.96 0.69 -3.02 118.68 123.97 2qbf s LEU 35 Ca -0.13 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2qbf s LEU 35 Cb -0.17 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2qbf s LEU 35 CO 0.04 0.04 0.10 0.42 -1.32 0.00 0.00 176.35 175.63 2qbf s THR 36 N 1.20 0.34 0.16 3.68 -4.23 -0.36 -1.08 115.64 115.35 2qbf s THR 36 Ca 0.06 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2qbf s THR 36 Cb -0.14 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 2qbf s THR 36 CO 0.05 -0.08 -0.03 0.68 -0.54 0.00 0.00 174.62 174.70 2qbf s VAL 37 N -3.91 0.76 -0.06 2.29 -7.23 -0.97 0.90 120.40 112.18 2qbf s VAL 37 Ca 0.36 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2qbf s VAL 37 Cb 0.07 -2.00 0.04 0.00 0.56 0.00 0.00 36.38 35.05 2qbf s VAL 37 CO 0.11 -0.59 0.11 -0.69 -0.31 0.00 0.00 175.10 173.73 2qbf s VAL 38 N -3.60 -0.18 0.03 1.32 1.01 0.12 -3.05 120.40 116.05 2qbf s VAL 38 Ca 0.21 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2qbf s VAL 38 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 2qbf s VAL 38 CO 0.02 0.16 -0.19 -0.83 0.00 0.00 0.00 175.10 174.26 2qbf s GLY 39 N 2.17 1.03 0.00 4.51 0.00 -0.83 0.09 107.32 114.28 2qbf s GLY 39 Ca 0.03 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.84 2qbf s GLY 39 CO -0.04 -0.90 1.17 2.09 0.00 0.00 0.00 173.10 175.41 2qbf n ASP 40 N 1.97 1.05 0.00 1.64 5.75 -0.36 -0.34 116.55 126.26 2qbf n ASP 40 Ca -0.17 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 2qbf n ASP 40 Cb 0.54 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2qbf n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbf n GLY 41 N 0.82 2.36 0.00 6.12 0.00 -0.59 -4.80 105.19 109.10 2qbf n GLY 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2qbf n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbf n ASN 42 N 0.00 0.00 -0.44 1.61 2.85 -1.26 -3.99 115.26 114.03 2qbf n ASN 42 Ca 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.49 2qbf n ASN 42 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 2qbf n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbf n GLY 43 N 3.26 1.25 3.12 8.20 0.00 -1.22 -4.00 105.19 115.80 2qbf n GLY 43 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2qbf n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbf s ARG 44 N -0.49 2.42 0.29 1.61 0.52 -1.25 -0.01 118.95 122.05 2qbf s ARG 44 Ca 0.06 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 2qbf s ARG 44 Cb 0.05 -1.91 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 2qbf s ARG 44 CO 0.00 0.08 -0.06 0.08 0.02 0.00 0.00 175.30 175.42 2qbf s VAL 45 N 0.58 1.70 -0.30 3.52 1.01 -0.91 -1.23 120.40 124.78 2qbf s VAL 45 Ca -0.15 -2.13 -0.14 0.00 0.00 0.00 0.00 61.98 59.57 2qbf s VAL 45 Cb -0.17 -2.50 0.18 0.00 0.00 0.00 0.00 36.38 33.89 2qbf s VAL 45 CO 0.05 -0.27 1.10 -0.83 0.00 0.00 0.00 175.10 175.15 2qbf s GLY 46 N -3.47 -0.61 0.39 4.51 0.00 0.11 0.35 107.32 108.61 2qbf s GLY 46 Ca 0.30 2.51 -0.17 0.00 0.00 0.00 0.00 44.72 47.36 2qbf s GLY 46 CO 0.13 4.03 0.85 -0.11 0.00 0.00 0.00 173.10 178.00 2qbf s PHE 47 N 2.97 3.36 0.02 1.90 -0.71 -1.26 0.15 117.98 124.40 2qbf s PHE 47 Ca 0.14 1.40 0.03 0.00 -1.04 0.00 0.00 56.93 57.46 2qbf s PHE 47 Cb -0.05 -2.69 -0.01 0.00 -1.21 0.00 0.00 43.02 39.06 2qbf s PHE 47 CO -0.17 -0.05 -0.08 0.20 -1.34 0.00 0.00 175.22 173.78 2qbf s GLY 48 N -2.36 0.47 -0.10 1.99 0.00 0.26 -4.28 107.32 103.29 2qbf s GLY 48 Ca 0.58 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 2qbf s GLY 48 CO 0.18 -0.55 -0.02 -0.47 0.00 0.00 0.00 173.10 172.24 2qbf s TYR 49 N -0.72 1.02 0.03 1.90 5.04 -1.25 -1.22 117.35 122.15 2qbf s TYR 49 Ca -0.02 -0.46 -0.00 0.00 -2.44 0.00 0.00 57.07 54.15 2qbf s TYR 49 Cb -0.06 -0.99 -0.03 0.00 0.35 0.00 0.00 41.96 41.23 2qbf s TYR 49 CO 0.00 -0.43 -0.03 0.20 -1.34 0.00 0.00 175.55 173.95 2qbf s GLY 50 N 1.86 0.32 0.07 8.97 0.00 -1.17 -4.82 107.32 112.55 2qbf s GLY 50 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 44.72 44.06 2qbf s GLY 50 CO -0.07 -0.83 -0.15 -1.59 0.00 0.00 0.00 173.10 170.46 2qbf s LYS 51 N -2.05 0.90 0.09 2.90 -2.85 -1.26 -1.89 119.74 115.58 2qbf s LYS 51 Ca -0.10 -0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 53.71 2qbf s LYS 51 Cb -0.06 -0.94 0.06 0.00 -2.06 0.00 0.00 37.83 34.83 2qbf s LYS 51 CO -0.03 0.22 0.54 0.00 0.10 0.00 0.00 175.35 176.18 2qbf s ALA 52 N -1.15 -1.39 -0.06 0.59 0.00 -0.89 -4.71 121.76 114.15 2qbf s ALA 52 Ca 0.00 0.50 0.24 0.00 0.00 0.00 0.00 51.96 52.71 2qbf s ALA 52 Cb -0.09 0.59 1.33 0.00 0.00 0.00 0.00 23.12 24.95 2qbf s ALA 52 CO 0.02 -0.62 1.75 -0.09 0.00 0.00 0.00 175.76 176.82 2qbf h ARG 53 N 2.43 0.00 -6.55 0.00 2.43 -1.91 -2.65 114.38 108.13 2qbf h ARG 53 Ca -0.32 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.16 2qbf h ARG 53 Cb 1.25 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.57 2qbf h ARG 53 CO 0.41 0.00 -0.81 -1.21 -1.51 0.00 0.00 179.97 176.85 2qbf s GLU 54 N -3.63 2.12 0.18 0.20 2.02 -1.26 -4.73 118.70 113.61 2qbf s GLU 54 Ca -0.03 -0.94 -0.13 0.00 0.02 0.00 0.00 54.97 53.89 2qbf s GLU 54 Cb 0.07 -2.20 0.14 0.00 0.10 0.00 0.00 34.13 32.24 2qbf s GLU 54 CO 0.22 0.55 1.79 0.28 0.02 0.00 0.00 175.26 178.12 2qbf h VAL 55 N 4.04 0.96 0.06 2.63 2.07 -1.94 -2.66 116.25 121.42 2qbf h VAL 55 Ca -0.47 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2qbf h VAL 55 Cb 1.15 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2qbf h VAL 55 CO 0.48 0.09 -0.03 1.55 0.02 0.00 0.00 177.57 179.68 2qbf h PRO 56 N 0.51 -0.08 -0.92 1.57 0.13 -1.96 -3.20 132.00 128.05 2qbf h PRO 56 Ca 0.23 0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.60 2qbf h PRO 56 Cb 0.13 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.15 2qbf h PRO 56 CO -0.16 0.41 0.42 0.00 -0.23 0.00 0.00 178.00 178.44 2qbf h ALA 57 N 0.25 1.53 -0.26 -0.56 0.00 -1.92 0.32 119.26 118.61 2qbf h ALA 57 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qbf h ALA 57 Cb 0.53 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qbf h ALA 57 CO 0.01 -0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.02 2qbf h ALA 58 N 1.74 0.33 0.19 0.00 0.00 -1.53 -2.38 119.26 117.61 2qbf h ALA 58 Ca 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2qbf h ALA 58 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2qbf h ALA 58 CO -0.55 -0.14 -0.13 0.82 0.00 0.00 0.00 179.25 179.25 2qbf h ILE 59 N 0.31 0.72 -0.64 0.00 2.04 -0.97 0.50 117.51 119.47 2qbf h ILE 59 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 2qbf h ILE 59 Cb 0.06 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 2qbf h ILE 59 CO -0.01 0.00 0.27 -0.61 0.00 0.00 0.00 178.15 177.80 2qbf h GLN 60 N -0.32 0.46 0.00 2.37 5.75 -1.25 0.40 115.11 122.53 2qbf h GLN 60 Ca -0.01 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 2qbf h GLN 60 Cb 0.27 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2qbf h GLN 60 CO 0.01 0.31 -0.35 1.57 -2.65 0.00 0.00 178.83 177.71 2qbf h LYS 61 N 0.48 0.00 -0.17 1.69 2.10 -1.28 -2.72 116.57 116.66 2qbf h LYS 61 Ca 0.32 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.77 2qbf h LYS 61 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2qbf h LYS 61 CO -0.29 0.35 -0.69 0.00 -2.00 0.00 0.00 179.45 176.83 2qbf h ALA 62 N 1.65 0.46 -0.33 0.07 0.00 0.59 -2.73 119.26 118.97 2qbf h ALA 62 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2qbf h ALA 62 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2qbf h ALA 62 CO 0.05 0.70 -0.25 0.52 0.00 0.00 0.00 179.25 180.26 2qbf h MET 63 N 0.50 0.66 0.15 0.00 2.86 -0.90 -2.12 114.93 116.09 2qbf h MET 63 Ca -0.02 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2qbf h MET 63 Cb 1.29 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 2qbf h MET 63 CO 0.14 0.85 -0.24 1.49 1.06 0.00 0.00 176.91 180.21 2qbf h GLU 64 N 0.58 -0.44 -0.91 1.72 4.57 -1.38 -1.51 114.58 117.19 2qbf h GLU 64 Ca 0.08 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 2qbf h GLU 64 Cb 0.74 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.36 2qbf h GLU 64 CO 0.06 -0.29 0.58 0.87 -1.18 0.00 0.00 179.01 179.04 2qbf h LYS 65 N -0.46 1.02 -0.09 1.92 1.57 -1.36 -2.16 116.57 117.01 2qbf h LYS 65 Ca 0.02 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2qbf h LYS 65 Cb 0.46 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2qbf h LYS 65 CO -0.11 0.68 -0.06 0.00 -0.57 0.00 0.00 179.45 179.38 2qbf h ALA 66 N 1.42 0.01 -0.62 3.86 0.00 -0.80 -2.18 119.26 120.95 2qbf h ALA 66 Ca 0.40 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2qbf h ALA 66 Cb 0.17 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2qbf h ALA 66 CO -0.17 -0.53 0.33 0.00 0.00 0.00 0.00 179.25 178.88 2qbf h ARG 67 N -0.07 0.60 -6.25 0.00 3.08 -0.90 -3.40 114.38 107.44 2qbf h ARG 67 Ca 0.06 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.51 2qbf h ARG 67 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2qbf h ARG 67 CO -0.13 0.40 1.20 1.03 -1.07 0.00 0.00 179.97 181.39 2qbf s ARG 68 N -6.11 3.83 -0.12 0.04 1.81 -0.82 -4.25 118.95 113.33 2qbf s ARG 68 Ca -0.13 2.00 -0.08 0.00 -1.72 0.00 0.00 55.73 55.80 2qbf s ARG 68 Cb 0.15 -4.10 0.03 0.00 -0.45 0.00 0.00 34.95 30.58 2qbf s ARG 68 CO 0.75 -1.27 0.17 0.09 -0.68 0.00 0.00 175.30 174.36 2qbf n ASN 69 N 8.52 -1.37 -0.89 0.23 4.13 -1.26 -4.88 115.26 119.74 2qbf n ASN 69 Ca 0.20 1.01 0.00 0.00 1.68 0.00 0.00 54.58 57.47 2qbf n ASN 69 Cb 0.44 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.60 2qbf n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2qbf n MET 70 N 1.24 2.93 -4.47 3.52 2.81 -1.26 -4.85 117.12 117.04 2qbf n MET 70 Ca -0.28 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.38 2qbf n MET 70 Cb 0.44 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.81 2qbf n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qbf s ILE 71 N 0.38 1.45 -0.62 2.02 2.07 0.16 -4.97 121.20 121.68 2qbf s ILE 71 Ca 0.00 -1.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.03 2qbf s ILE 71 Cb 0.00 -1.29 0.16 0.00 0.13 0.00 0.00 42.46 41.46 2qbf s ILE 71 CO 0.00 0.08 0.44 0.20 -1.91 0.00 0.00 174.94 173.75 2qbf s ASN 72 N -1.28 5.29 0.36 4.50 -0.87 -1.26 -2.14 114.94 119.55 2qbf s ASN 72 Ca 0.05 -2.81 -0.24 0.00 -1.57 0.00 0.00 52.86 48.28 2qbf s ASN 72 Cb -0.09 -1.87 -0.10 0.00 -0.02 0.00 0.00 41.25 39.18 2qbf s ASN 72 CO 0.02 -0.38 0.95 -0.69 -2.57 0.00 0.00 177.10 174.43 2qbf s VAL 73 N -0.00 4.24 -0.05 1.60 1.01 0.99 -4.93 120.40 123.26 2qbf s VAL 73 Ca 0.17 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2qbf s VAL 73 Cb -0.20 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2qbf s VAL 73 CO -0.04 -0.01 2.34 0.00 0.00 0.00 0.00 175.10 177.39 2qbf n ALA 74 N 0.13 4.64 -1.42 5.51 0.00 -1.26 -4.74 120.51 123.37 2qbf n ALA 74 Ca 0.04 -0.61 -0.50 0.00 0.00 0.00 0.00 53.44 52.37 2qbf n ALA 74 Cb 0.51 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 2qbf n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbf n LEU 75 N 1.55 1.47 -4.60 0.00 0.00 -1.26 -4.66 117.00 109.50 2qbf n LEU 75 Ca 0.13 0.34 -0.43 0.00 0.00 0.00 0.00 56.01 56.05 2qbf n LEU 75 Cb 0.59 -1.14 -0.02 0.00 0.00 0.00 0.00 43.42 42.85 2qbf n LEU 75 CO 0.07 -0.83 1.06 0.21 0.00 0.00 0.00 177.39 177.91 2qbf s ASN 76 N 7.82 6.60 1.56 1.96 2.47 -1.03 -4.78 114.94 129.53 2qbf s ASN 76 Ca 1.16 0.60 0.00 0.00 0.42 0.00 0.00 52.86 55.03 2qbf s ASN 76 Cb -1.02 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.23 2qbf s ASN 76 CO 0.51 -1.25 0.00 -3.20 -3.72 0.00 0.00 177.10 169.43 2qbf n ASN 77 N 7.94 0.00 0.00 -4.21 2.85 -1.26 -1.58 115.26 119.00 2qbf n ASN 77 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2qbf n ASN 77 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2qbf n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbf n GLY 78 N 0.00 -0.39 2.71 8.20 0.00 -1.26 -4.93 105.19 109.52 2qbf n GLY 78 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2qbf n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbf n THR 79 N -0.25 0.00 -1.79 2.61 5.66 -0.61 0.38 114.28 120.27 2qbf n THR 79 Ca 0.00 -1.79 -0.30 0.00 -3.05 0.00 0.00 64.05 58.91 2qbf n THR 79 Cb 0.03 0.36 0.06 0.00 -1.55 0.00 0.00 70.33 69.23 2qbf n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qbf s LEU 80 N 0.00 2.80 0.06 1.09 1.43 -1.26 -2.46 118.68 120.33 2qbf s LEU 80 Ca 0.00 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.11 2qbf s LEU 80 Cb 0.00 -3.89 -0.24 0.00 0.03 0.00 0.00 46.19 42.09 2qbf s LEU 80 CO 0.00 -1.54 1.16 -0.61 0.23 0.00 0.00 176.35 175.59 2qbf h GLN 81 N -0.80 0.64 -2.88 1.70 5.75 -1.87 -3.43 115.11 114.23 2qbf h GLN 81 Ca -0.46 -0.71 0.02 0.00 -0.15 0.00 0.00 58.65 57.36 2qbf h GLN 81 Cb 1.26 0.21 -0.11 0.00 1.07 0.00 0.00 27.48 29.91 2qbf h GLN 81 CO 0.63 1.30 0.26 -3.38 -2.65 0.00 0.00 178.83 174.98 2qbf s HIS 82 N -3.26 -0.42 -0.37 3.99 -3.43 -1.26 -4.97 115.29 105.56 2qbf s HIS 82 Ca -0.10 0.16 -0.27 0.00 -0.80 0.00 0.00 55.06 54.04 2qbf s HIS 82 Cb 0.06 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 2qbf s HIS 82 CO 0.91 -0.90 2.12 -1.25 -2.00 0.00 0.00 174.74 173.62 2qbf s PRO 83 N -3.69 2.83 0.47 -0.38 0.04 -1.26 -4.62 135.00 128.39 2qbf s PRO 83 Ca 0.04 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2qbf s PRO 83 Cb -0.02 -4.39 0.03 0.00 0.04 0.00 0.00 34.50 30.16 2qbf s PRO 83 CO -0.07 -2.45 0.61 0.14 0.04 0.00 0.00 177.00 175.26 2qbf s VAL 84 N 9.13 2.64 -0.41 -0.36 -7.23 -0.40 -4.93 120.40 118.84 2qbf s VAL 84 Ca 0.90 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.05 2qbf s VAL 84 Cb -0.23 -2.70 0.16 0.00 0.56 0.00 0.00 36.38 34.17 2qbf s VAL 84 CO 0.30 0.00 0.39 -0.75 -0.31 0.00 0.00 175.10 174.73 2qbf s LYS 85 N -4.42 0.81 0.91 4.82 2.20 -1.26 -0.85 119.74 121.95 2qbf s LYS 85 Ca 0.55 -1.53 -0.13 0.00 -0.36 0.00 0.00 55.97 54.51 2qbf s LYS 85 Cb -0.08 -1.02 0.14 0.00 -1.51 0.00 0.00 37.83 35.36 2qbf s LYS 85 CO 0.34 -1.31 1.16 0.20 -0.36 0.00 0.00 175.35 175.38 2qbf s GLY 86 N 0.67 1.59 -0.20 5.54 0.00 0.04 -4.85 107.32 110.11 2qbf s GLY 86 Ca 0.26 -0.62 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2qbf s GLY 86 CO -0.10 -0.05 1.15 0.54 0.00 0.00 0.00 173.10 174.64 2qbf s VAL 87 N -3.38 0.00 -0.28 1.40 0.11 -1.25 -1.05 120.40 115.95 2qbf s VAL 87 Ca 0.65 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.50 2qbf s VAL 87 Cb -0.13 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.83 2qbf s VAL 87 CO 0.52 0.00 0.87 -2.28 -3.33 0.00 0.00 175.10 170.89 2qbf s HIS 88 N -1.28 -0.71 0.00 1.54 2.46 -0.69 -4.75 115.29 111.85 2qbf s HIS 88 Ca 0.04 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.10 2qbf s HIS 88 Cb -0.01 0.42 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 2qbf s HIS 88 CO -0.03 -0.35 0.00 2.41 -2.47 0.00 0.00 174.74 174.30 2qbf n THR 89 N 3.33 0.00 -0.97 0.89 -1.04 -1.26 -1.46 114.28 113.76 2qbf n THR 89 Ca -0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2qbf n THR 89 Cb 0.57 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.37 2qbf n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbf n GLY 90 N 0.00 3.83 3.31 3.41 0.00 -1.26 -4.92 105.19 109.56 2qbf n GLY 90 Ca 0.00 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 2qbf n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbf s SER 91 N -1.71 5.34 -0.27 1.61 0.15 -0.54 -0.53 113.70 117.76 2qbf s SER 91 Ca 0.45 -1.01 -0.09 0.00 0.70 0.00 0.00 55.95 56.00 2qbf s SER 91 Cb 0.36 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 2qbf s SER 91 CO 0.10 -0.30 0.11 -0.13 1.20 0.00 0.00 173.24 174.22 2qbf s ARG 92 N 1.45 3.65 -0.07 5.44 0.52 -0.85 -1.71 118.95 127.38 2qbf s ARG 92 Ca -0.00 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 2qbf s ARG 92 Cb -0.19 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 2qbf s ARG 92 CO 0.03 -0.24 -0.25 0.08 0.02 0.00 0.00 175.30 174.95 2qbf s VAL 93 N 1.64 2.04 -0.22 3.52 1.01 -0.22 -1.72 120.40 126.45 2qbf s VAL 93 Ca 0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2qbf s VAL 93 Cb -0.16 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2qbf s VAL 93 CO 0.06 0.56 -0.11 0.12 0.00 0.00 0.00 175.10 175.73 2qbf s PHE 94 N -0.02 2.97 0.10 5.22 2.19 -0.75 -0.78 117.98 126.91 2qbf s PHE 94 Ca -0.08 -1.54 0.04 0.00 0.33 0.00 0.00 56.93 55.68 2qbf s PHE 94 Cb -0.15 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.51 2qbf s PHE 94 CO 0.05 -0.74 0.05 1.41 1.83 0.00 0.00 175.22 177.82 2qbf s MET 95 N 1.32 2.71 -0.18 10.12 1.75 -0.02 -1.57 119.30 133.43 2qbf s MET 95 Ca 0.02 -0.80 -0.12 0.00 -1.25 0.00 0.00 55.69 53.55 2qbf s MET 95 Cb -0.15 -2.62 0.06 0.00 2.84 0.00 0.00 34.83 34.96 2qbf s MET 95 CO -0.07 0.54 0.45 -1.14 -0.65 0.00 0.00 175.02 174.15 2qbf s GLN 96 N -2.47 0.46 0.20 4.11 0.74 -1.26 -1.28 119.66 120.17 2qbf s GLN 96 Ca 0.28 0.80 -0.31 0.00 0.05 0.00 0.00 55.36 56.18 2qbf s GLN 96 Cb -0.12 0.06 -0.10 0.00 1.10 0.00 0.00 33.01 33.96 2qbf s GLN 96 CO 0.20 -0.13 1.49 -1.25 -0.55 0.00 0.00 175.29 175.05 2qbf s PRO 97 N 1.13 4.25 0.56 1.67 0.04 -1.26 -2.34 135.00 139.05 2qbf s PRO 97 Ca -0.07 2.31 0.06 0.00 0.04 0.00 0.00 61.00 63.34 2qbf s PRO 97 Cb -0.07 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2qbf s PRO 97 CO -0.10 -0.50 0.50 0.00 0.04 0.00 0.00 177.00 176.94 2qbf s ALA 98 N 0.57 4.54 0.77 8.56 0.00 -1.13 -4.84 121.76 130.22 2qbf s ALA 98 Ca 0.64 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 2qbf s ALA 98 Cb -0.42 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 21.91 2qbf s ALA 98 CO 0.37 -0.56 1.09 0.45 0.00 0.00 0.00 175.76 177.11 2qbf s SER 99 N -4.39 4.44 0.40 0.00 0.15 -1.26 -4.83 113.70 108.21 2qbf s SER 99 Ca 0.39 0.40 -0.26 0.00 0.70 0.00 0.00 55.95 57.18 2qbf s SER 99 Cb -0.03 -0.90 -0.09 0.00 -1.71 0.00 0.00 66.02 63.29 2qbf s SER 99 CO 0.25 -1.86 1.31 -1.61 1.20 0.00 0.00 173.24 172.53 2qbf s GLU 100 N -5.40 4.01 0.00 5.44 2.02 -1.26 -2.27 118.70 121.24 2qbf s GLU 100 Ca 0.63 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.81 2qbf s GLU 100 Cb -0.09 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2qbf s GLU 100 CO 0.47 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2qbf n GLY 101 N 0.67 2.53 0.37 -1.39 0.00 -1.26 -4.79 105.19 101.31 2qbf n GLY 101 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 2qbf n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbf h THR 102 N 0.00 0.21 -0.07 2.61 2.02 -1.81 -3.47 112.91 112.39 2qbf h THR 102 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2qbf h THR 102 Cb 0.00 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2qbf h THR 102 CO 0.00 0.00 -0.01 0.61 0.37 0.00 0.00 175.52 176.49 2qbf n GLY 103 N -1.38 -1.29 3.26 2.16 0.00 -1.26 -4.75 105.19 101.94 2qbf n GLY 103 Ca 0.03 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 2qbf n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbf s ILE 104 N -1.03 4.35 -0.59 -0.61 2.07 -0.94 -1.45 121.20 122.99 2qbf s ILE 104 Ca 0.00 -1.49 -0.14 0.00 -1.41 0.00 0.00 60.65 57.60 2qbf s ILE 104 Cb 0.00 -3.72 0.15 0.00 0.13 0.00 0.00 42.46 39.02 2qbf s ILE 104 CO 0.00 -0.61 0.53 -0.63 -1.91 0.00 0.00 174.94 172.32 2qbf s ILE 105 N 1.43 5.12 0.20 2.00 1.01 0.11 -4.93 121.20 126.14 2qbf s ILE 105 Ca 0.04 -1.78 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 2qbf s ILE 105 Cb -0.24 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2qbf s ILE 105 CO 0.02 -0.89 0.37 0.00 0.00 0.00 0.00 174.94 174.44 2qbf s ALA 106 N 1.23 -0.09 1.00 9.38 0.00 -1.26 -1.91 121.76 130.10 2qbf s ALA 106 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2qbf s ALA 106 Cb -0.25 0.99 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2qbf s ALA 106 CO -0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2qbf n GLY 107 N -0.30 -1.37 0.00 0.00 0.00 -1.26 -4.61 105.19 97.64 2qbf n GLY 107 Ca -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2qbf n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 108 N 3.64 -1.67 0.40 -0.02 0.00 -1.26 -2.27 105.19 104.01 2qbf n GLY 108 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 2qbf n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf h ALA 109 N -2.23 2.25 -0.31 4.61 0.00 -1.93 -1.58 119.26 120.06 2qbf h ALA 109 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qbf h ALA 109 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2qbf h ALA 109 CO 0.00 -0.78 -0.08 0.52 0.00 0.00 0.00 179.25 178.91 2qbf h MET 110 N 0.00 -0.00 0.06 0.00 2.07 -1.90 -3.05 114.93 112.10 2qbf h MET 110 Ca 0.24 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.87 2qbf h MET 110 Cb 1.28 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.01 2qbf h MET 110 CO -0.00 -0.00 -0.03 0.07 1.07 0.00 0.00 176.91 178.02 2qbf h ARG 111 N -0.00 -0.07 -0.85 1.72 0.11 -0.84 -3.25 114.38 111.20 2qbf h ARG 111 Ca 0.15 0.00 0.28 0.00 0.10 0.00 0.00 59.98 60.52 2qbf h ARG 111 Cb 0.23 0.02 -0.16 0.00 1.11 0.00 0.00 29.97 31.17 2qbf h ARG 111 CO -0.32 0.53 0.20 0.00 0.10 0.00 0.00 179.97 180.48 2qbf n ALA 112 N -2.58 0.62 -0.03 0.08 0.00 -1.16 -0.12 120.51 117.32 2qbf n ALA 112 Ca -0.08 0.89 -0.14 0.00 0.00 0.00 0.00 53.44 54.11 2qbf n ALA 112 Cb 0.31 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2qbf n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qbf h VAL 113 N 0.00 1.44 -0.57 0.00 -1.51 -1.65 -3.26 116.25 110.70 2qbf h VAL 113 Ca 0.60 -1.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.41 2qbf h VAL 113 Cb 1.42 2.34 -0.03 0.00 -2.13 0.00 0.00 31.29 32.90 2qbf h VAL 113 CO -0.73 0.46 0.22 -0.07 -1.23 0.00 0.00 177.57 176.21 2qbf h LEU 114 N -0.28 0.80 -0.45 4.19 3.38 -0.55 -1.14 115.31 121.26 2qbf h LEU 114 Ca -0.01 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2qbf h LEU 114 Cb 0.85 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2qbf h LEU 114 CO 0.04 0.76 -0.17 -0.08 0.09 0.00 0.00 178.44 179.08 2qbf h GLU 115 N 0.79 -0.07 0.00 1.13 4.81 -0.68 -0.40 114.58 120.16 2qbf h GLU 115 Ca 0.19 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2qbf h GLU 115 Cb 0.21 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2qbf h GLU 115 CO -0.01 -0.05 -0.21 -0.39 -0.73 0.00 0.00 179.01 177.61 2qbf h VAL 116 N -0.07 0.39 0.00 0.32 -1.51 -1.58 -3.13 116.25 110.67 2qbf h VAL 116 Ca 0.22 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2qbf h VAL 116 Cb 0.41 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2qbf h VAL 116 CO -0.51 0.21 0.00 0.00 -1.23 0.00 0.00 177.57 176.04 2qbf h ALA 117 N 1.79 1.00 0.00 5.19 0.00 0.23 -1.55 119.26 125.91 2qbf h ALA 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbf h ALA 117 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qbf h ALA 117 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2qbf n GLY 118 N -0.32 1.56 3.71 0.00 0.00 -0.91 -3.37 105.19 105.87 2qbf n GLY 118 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qbf n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 119 N -2.18 3.22 -0.07 1.61 1.01 -0.90 -4.76 120.40 118.32 2qbf s VAL 119 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2qbf s VAL 119 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2qbf s VAL 119 CO 0.00 0.06 -0.02 1.41 0.00 0.00 0.00 175.10 176.55 2qbf n HIS 120 N 4.16 0.00 -3.84 5.22 -0.00 0.16 -4.21 115.22 116.71 2qbf n HIS 120 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.54 2qbf n HIS 120 Cb 0.42 -0.30 -0.15 0.00 -0.00 0.00 0.00 29.99 29.95 2qbf n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qbf s ASN 121 N -4.19 3.88 -0.11 0.41 0.01 -1.17 -2.22 114.94 111.55 2qbf s ASN 121 Ca -0.06 -1.42 -0.23 0.00 -0.71 0.00 0.00 52.86 50.43 2qbf s ASN 121 Cb 0.02 -1.02 0.05 0.00 0.41 0.00 0.00 41.25 40.72 2qbf s ASN 121 CO 0.22 -0.34 0.56 0.68 -1.51 0.00 0.00 177.10 176.71 2qbf s VAL 122 N 1.49 0.01 -0.46 1.60 -7.23 -0.53 -2.83 120.40 112.46 2qbf s VAL 122 Ca 0.03 -0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2qbf s VAL 122 Cb -0.18 -0.84 0.13 0.00 0.56 0.00 0.00 36.38 36.05 2qbf s VAL 122 CO -0.14 -0.06 0.22 -1.48 -0.31 0.00 0.00 175.10 173.34 2qbf s LEU 123 N -0.63 3.63 0.25 1.32 0.05 -0.99 0.05 118.68 122.37 2qbf s LEU 123 Ca -0.07 -2.72 0.10 0.00 0.05 0.00 0.00 54.13 51.49 2qbf s LEU 123 Cb -0.03 -1.37 -0.04 0.00 -2.05 0.00 0.00 46.19 42.70 2qbf s LEU 123 CO 0.05 -0.27 -0.04 0.00 -0.55 0.00 0.00 176.35 175.54 2qbf s ALA 124 N 0.16 3.09 -0.03 1.48 0.00 -0.80 -4.04 121.76 121.62 2qbf s ALA 124 Ca 0.16 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.53 2qbf s ALA 124 Cb -0.24 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2qbf s ALA 124 CO -0.02 0.31 -0.16 0.21 0.00 0.00 0.00 175.76 176.10 2qbf s LYS 125 N -3.49 1.55 -0.23 0.00 2.47 -0.61 -4.43 119.74 115.00 2qbf s LYS 125 Ca 0.30 -0.57 -0.03 0.00 -1.56 0.00 0.00 55.97 54.12 2qbf s LYS 125 Cb -0.07 -1.40 0.01 0.00 -1.46 0.00 0.00 37.83 34.92 2qbf s LYS 125 CO 0.19 0.26 -0.06 0.00 0.16 0.00 0.00 175.35 175.89 2qbf s ALA 126 N -0.06 2.73 0.02 3.13 0.00 -1.26 -1.81 121.76 124.50 2qbf s ALA 126 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2qbf s ALA 126 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2qbf s ALA 126 CO 0.01 -0.60 -0.04 1.52 0.00 0.00 0.00 175.76 176.65 2qbf s TYR 127 N 1.40 0.37 0.00 0.00 -0.00 -0.70 -4.93 117.35 113.49 2qbf s TYR 127 Ca 0.03 -0.46 0.00 0.00 -0.00 0.00 0.00 57.07 56.64 2qbf s TYR 127 Cb -0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 41.96 41.56 2qbf s TYR 127 CO -0.05 -0.14 0.00 0.41 -0.00 0.00 0.00 175.55 175.78 2qbf n GLY 128 N 1.72 2.26 2.85 5.49 0.00 -1.26 -2.02 105.19 114.23 2qbf n GLY 128 Ca -0.22 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2qbf n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbf s SER 129 N -4.00 3.54 0.00 1.61 0.15 0.31 -4.88 113.70 110.43 2qbf s SER 129 Ca 0.00 -1.11 0.11 0.00 0.70 0.00 0.00 55.95 55.65 2qbf s SER 129 Cb 0.00 -0.94 0.68 0.00 -1.71 0.00 0.00 66.02 64.05 2qbf s SER 129 CO 0.00 -0.28 1.22 0.35 1.20 0.00 0.00 173.24 175.72 2qbf n THR 130 N 4.82 0.00 -1.68 6.45 -2.24 -1.26 -4.44 114.28 115.93 2qbf n THR 130 Ca -0.10 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.20 2qbf n THR 130 Cb 0.45 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 2qbf n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qbf n ASN 131 N -0.75 3.22 -0.02 3.42 5.15 -1.26 -4.85 115.26 120.16 2qbf n ASN 131 Ca 0.09 1.01 -0.09 0.00 -0.60 0.00 0.00 54.58 54.99 2qbf n ASN 131 Cb 0.04 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 37.91 2qbf n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qbf h PRO 132 N 8.22 -0.14 -0.76 1.20 0.13 -1.99 0.93 132.00 139.59 2qbf h PRO 132 Ca -0.48 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2qbf h PRO 132 Cb 1.28 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 2qbf h PRO 132 CO 0.93 -0.09 0.15 0.82 -0.23 0.00 0.00 178.00 179.58 2qbf h ILE 133 N -0.14 0.45 0.00 -3.56 2.04 -1.98 -1.41 117.51 112.90 2qbf h ILE 133 Ca 0.10 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 2qbf h ILE 133 Cb 0.30 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2qbf h ILE 133 CO -0.26 0.04 -0.93 0.78 0.00 0.00 0.00 178.15 177.78 2qbf h ASN 134 N 0.23 0.00 0.11 1.72 2.35 -1.85 -3.27 115.58 114.86 2qbf h ASN 134 Ca 0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.18 2qbf h ASN 134 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2qbf h ASN 134 CO -0.56 0.38 -0.05 0.58 -1.65 0.00 0.00 177.43 176.13 2qbf h VAL 135 N 0.00 1.03 0.01 2.81 2.07 0.21 -1.48 116.25 120.90 2qbf h VAL 135 Ca -0.07 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2qbf h VAL 135 Cb 1.35 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2qbf h VAL 135 CO 0.04 0.13 -0.05 1.62 0.02 0.00 0.00 177.57 179.32 2qbf h VAL 136 N -0.38 0.86 -0.34 2.57 3.04 -1.49 0.46 116.25 120.97 2qbf h VAL 136 Ca -0.01 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 2qbf h VAL 136 Cb 0.32 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 2qbf h VAL 136 CO 0.02 0.00 0.23 -0.09 -1.01 0.00 0.00 177.57 176.72 2qbf h ARG 137 N -0.10 0.33 -0.04 4.17 2.43 -1.61 -0.11 114.38 119.46 2qbf h ARG 137 Ca 0.02 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2qbf h ARG 137 Cb 0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2qbf h ARG 137 CO -0.05 0.22 -0.30 0.00 -1.51 0.00 0.00 179.97 178.33 2qbf h ALA 138 N 1.81 0.08 -0.30 2.80 0.00 -0.55 -2.50 119.26 120.60 2qbf h ALA 138 Ca 0.14 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2qbf h ALA 138 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2qbf h ALA 138 CO -0.03 0.14 -0.13 1.15 0.00 0.00 0.00 179.25 180.38 2qbf h THR 139 N -0.30 0.58 0.02 0.00 2.02 0.73 -1.39 112.91 114.58 2qbf h THR 139 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2qbf h THR 139 Cb 0.99 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2qbf h THR 139 CO 0.06 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.21 2qbf h ILE 140 N -0.08 0.67 -1.00 3.11 2.04 -1.10 -1.74 117.51 119.41 2qbf h ILE 140 Ca 0.16 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.25 2qbf h ILE 140 Cb 0.32 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 2qbf h ILE 140 CO -0.36 0.00 0.64 -0.78 0.00 0.00 0.00 178.15 177.65 2qbf h ASP 141 N -0.24 0.52 0.36 1.72 1.82 -0.93 -0.27 116.42 119.41 2qbf h ASP 141 Ca 0.04 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2qbf h ASP 141 Cb 0.29 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2qbf h ASP 141 CO -0.12 0.15 -0.17 1.23 -1.61 0.00 0.00 179.24 178.72 2qbf h GLY 142 N 0.49 -0.51 0.37 -0.78 0.00 -0.40 -2.66 103.07 99.58 2qbf h GLY 142 Ca 0.56 0.19 0.18 0.00 0.00 0.00 0.00 47.33 48.26 2qbf h GLY 142 CO -0.30 -0.18 0.59 1.41 0.00 0.00 0.00 176.54 178.06 2qbf h LEU 143 N -0.73 0.56 -1.32 3.11 3.38 -0.65 -0.18 115.31 119.47 2qbf h LEU 143 Ca -0.05 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2qbf h LEU 143 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qbf h LEU 143 CO 0.08 0.24 -0.26 -0.08 0.09 0.00 0.00 178.44 178.51 2qbf h GLU 144 N 0.57 0.12 -0.12 1.13 4.81 -0.90 -3.18 114.58 117.00 2qbf h GLU 144 Ca 0.48 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2qbf h GLU 144 Cb 0.95 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 2qbf h GLU 144 CO -0.22 0.38 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.41 2qbf h ASN 145 N 0.11 0.31 -2.35 1.04 2.35 -0.68 -3.45 115.58 112.91 2qbf h ASN 145 Ca 0.02 -0.48 -0.61 0.00 -0.55 0.00 0.00 56.30 54.68 2qbf h ASN 145 Cb 0.53 -0.09 0.08 0.00 0.05 0.00 0.00 38.32 38.89 2qbf h ASN 145 CO 0.04 0.73 0.51 1.15 -1.65 0.00 0.00 177.43 178.20 2qbf n MET 146 N -4.61 1.71 -5.01 0.81 0.00 -1.18 -4.99 117.12 103.86 2qbf n MET 146 Ca -0.07 0.61 -0.27 0.00 0.00 0.00 0.00 57.70 57.97 2qbf n MET 146 Cb 0.34 -2.22 -0.16 0.00 0.00 0.00 0.00 33.22 31.18 2qbf n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qbf s ASN 147 N 0.25 2.43 0.88 3.17 2.20 -1.26 -4.61 114.94 118.00 2qbf s ASN 147 Ca 0.71 -0.38 -0.11 0.00 -0.94 0.00 0.00 52.86 52.14 2qbf s ASN 147 Cb -0.73 -0.35 0.12 0.00 -2.00 0.00 0.00 41.25 38.28 2qbf s ASN 147 CO 0.49 0.24 1.11 -1.54 -2.94 0.00 0.00 177.10 174.46 2qbf n SER 148 N 2.67 0.37 -0.04 3.54 3.41 -1.26 -4.74 113.62 117.58 2qbf n SER 148 Ca -0.16 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 58.96 2qbf n SER 148 Cb 0.53 -1.47 0.39 0.00 -0.26 0.00 0.00 64.21 63.40 2qbf n SER 148 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qbf h PRO 149 N -1.54 0.62 -0.59 4.33 0.13 -1.97 -0.94 132.00 132.05 2qbf h PRO 149 Ca -0.44 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qbf h PRO 149 Cb 1.28 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2qbf h PRO 149 CO 0.42 0.42 0.00 1.05 -0.23 0.00 0.00 178.00 179.66 2qbf h GLU 150 N 0.64 1.04 -0.60 0.86 9.09 -1.98 -0.80 114.58 122.83 2qbf h GLU 150 Ca 0.17 -0.33 -0.07 0.00 0.05 0.00 0.00 59.36 59.19 2qbf h GLU 150 Cb -0.07 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 26.92 2qbf h GLU 150 CO -0.04 1.02 0.11 1.98 0.05 0.00 0.00 179.01 182.13 2qbf h MET 151 N 0.93 0.95 -0.20 1.06 4.05 -1.65 0.32 114.93 120.39 2qbf h MET 151 Ca 0.17 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2qbf h MET 151 Cb 0.55 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2qbf h MET 151 CO 0.03 0.87 0.07 0.28 0.23 0.00 0.00 176.91 178.39 2qbf h VAL 152 N 0.90 1.18 -0.03 -5.77 2.07 -0.84 -2.37 116.25 111.39 2qbf h VAL 152 Ca 0.19 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2qbf h VAL 152 Cb 0.37 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2qbf h VAL 152 CO 0.01 0.18 -0.31 0.00 0.02 0.00 0.00 177.57 177.46 2qbf h ALA 153 N 0.90 1.43 0.32 1.67 0.00 -0.82 -3.04 119.26 119.73 2qbf h ALA 153 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qbf h ALA 153 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2qbf h ALA 153 CO -0.00 0.42 -0.44 0.00 0.00 0.00 0.00 179.25 179.23 2qbf h ALA 154 N 1.64 -0.90 -0.30 0.00 0.00 0.14 -2.95 119.26 116.88 2qbf h ALA 154 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qbf h ALA 154 Cb 0.58 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2qbf h ALA 154 CO 0.04 -1.06 -0.40 0.87 0.00 0.00 0.00 179.25 178.71 2qbf h LYS 155 N -0.81 -0.27 0.00 0.00 1.57 -1.37 -3.43 116.57 112.27 2qbf h LYS 155 Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qbf h LYS 155 Cb 0.75 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2qbf h LYS 155 CO -0.13 -0.18 0.00 2.89 -0.57 0.00 0.00 179.45 181.46 2qbf n ARG 156 N -4.60 3.31 0.00 3.15 1.85 -1.12 -4.80 116.66 114.45 2qbf n ARG 156 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2qbf n ARG 156 Cb 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.65 2qbf n ARG 156 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbf n GLY 157 N 5.00 1.00 3.97 2.89 0.00 -1.22 -4.91 105.19 111.92 2qbf n GLY 157 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2qbf n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60