#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s LEU 10 N 0.00 -0.15 -0.29 -1.84 1.43 -1.25 -3.89 118.68 112.69 2qbb s LEU 10 Ca 0.00 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2qbb s LEU 10 Cb 0.00 0.44 -0.01 0.00 0.03 0.00 0.00 46.19 46.65 2qbb s LEU 10 CO 0.00 -0.28 0.11 -1.10 0.23 0.00 0.00 176.35 175.31 2qbb s GLN 11 N 2.34 3.39 -0.99 1.70 -0.21 0.13 -4.94 119.66 121.08 2qbb s GLN 11 Ca 0.04 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 2qbb s GLN 11 Cb -0.14 -3.45 0.28 0.00 1.00 0.00 0.00 33.01 30.70 2qbb s GLN 11 CO -0.09 -0.35 1.21 0.39 -2.12 0.00 0.00 175.29 174.32 2qbb n GLU 12 N 4.94 3.75 -2.61 2.91 1.02 -1.26 -2.17 120.64 127.23 2qbb n GLU 12 Ca -0.15 -4.55 -0.43 0.00 -0.02 0.00 0.00 57.16 52.02 2qbb n GLU 12 Cb 0.50 -2.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 2qbb n GLU 12 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2qbb s LYS 13 N -2.28 4.36 -0.55 3.49 2.47 -1.15 -4.96 119.74 121.13 2qbb s LYS 13 Ca 0.32 1.48 -0.26 0.00 -1.56 0.00 0.00 55.97 55.94 2qbb s LYS 13 Cb 0.02 -3.58 0.03 0.00 -1.46 0.00 0.00 37.83 32.84 2qbb s LYS 13 CO 0.02 -0.44 1.04 -1.17 0.16 0.00 0.00 175.35 174.97 2qbb s LEU 14 N 2.39 3.83 0.03 5.43 1.98 -1.26 -2.63 118.68 128.45 2qbb s LEU 14 Ca 0.50 -0.08 -0.19 0.00 -2.89 0.00 0.00 54.13 51.47 2qbb s LEU 14 Cb -0.19 -3.04 -0.10 0.00 0.66 0.00 0.00 46.19 43.51 2qbb s LEU 14 CO 0.16 -1.30 1.27 0.40 -1.89 0.00 0.00 176.35 175.00 2qbb h ILE 15 N 6.09 0.00 -2.34 6.68 2.04 -1.54 -3.49 117.51 124.95 2qbb h ILE 15 Ca -0.25 -0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.76 2qbb h ILE 15 Cb 1.07 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 2qbb h ILE 15 CO 1.12 0.00 0.48 0.00 0.00 0.00 0.00 178.15 179.75 2qbb s ALA 16 N -4.48 -1.68 -0.10 1.87 0.00 -0.72 -4.91 121.76 111.74 2qbb s ALA 16 Ca -0.10 0.30 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 2qbb s ALA 16 Cb 0.01 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.77 2qbb s ALA 16 CO 0.30 -0.97 0.24 0.54 0.00 0.00 0.00 175.76 175.86 2qbb s VAL 17 N -3.27 -0.02 0.27 0.00 0.11 -1.26 0.61 120.40 116.84 2qbb s VAL 17 Ca 0.11 0.08 0.12 0.00 -2.93 0.00 0.00 61.98 59.36 2qbb s VAL 17 Cb -0.01 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2qbb s VAL 17 CO -0.00 0.03 -0.20 0.20 -3.33 0.00 0.00 175.10 171.80 2qbb s ASN 18 N 0.76 3.54 0.00 3.54 -0.87 0.82 -4.97 114.94 117.77 2qbb s ASN 18 Ca -0.05 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 2qbb s ASN 18 Cb -0.07 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 2qbb s ASN 18 CO -0.05 0.05 0.12 -1.14 -2.57 0.00 0.00 177.10 173.51 2qbb n ARG 19 N -0.49 0.00 -0.38 -0.60 0.63 -1.26 -0.15 116.66 114.41 2qbb n ARG 19 Ca -0.06 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2qbb n ARG 19 Cb 0.59 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.65 2qbb n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qbb n VAL 20 N -1.36 -1.07 -4.15 5.15 0.31 -1.26 -2.21 118.33 113.76 2qbb n VAL 20 Ca 0.00 0.42 -0.16 0.00 -0.01 0.00 0.00 64.34 64.59 2qbb n VAL 20 Cb 0.00 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 2qbb n VAL 20 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qbb s SER 21 N -3.25 1.13 -0.28 4.52 1.04 -1.26 -1.32 113.70 114.28 2qbb s SER 21 Ca 0.00 -1.57 0.01 0.00 0.48 0.00 0.00 55.95 54.87 2qbb s SER 21 Cb 0.00 0.63 0.17 0.00 0.10 0.00 0.00 66.02 66.92 2qbb s SER 21 CO 0.00 -1.23 0.47 -0.75 0.98 0.00 0.00 173.24 172.71 2qbb s LYS 22 N -3.17 0.45 0.26 4.02 2.20 -0.57 -4.95 119.74 118.00 2qbb s LYS 22 Ca 0.34 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 2qbb s LYS 22 Cb 0.00 -0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 36.14 2qbb s LYS 22 CO 0.22 -0.87 1.14 -0.08 -0.36 0.00 0.00 175.35 175.40 2qbb s THR 23 N 2.66 3.45 0.31 3.43 -1.32 -1.26 -1.68 115.64 121.22 2qbb s THR 23 Ca 0.12 1.40 0.04 0.00 -1.21 0.00 0.00 61.69 62.04 2qbb s THR 23 Cb -0.13 -3.89 -0.03 0.00 -1.51 0.00 0.00 72.50 66.93 2qbb s THR 23 CO -0.24 0.31 0.19 0.68 -2.21 0.00 0.00 174.62 173.35 2qbb s VAL 24 N -0.90 0.21 0.37 5.08 -7.23 0.15 -4.93 120.40 113.14 2qbb s VAL 24 Ca 0.47 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.82 2qbb s VAL 24 Cb -0.33 -2.49 0.37 0.00 0.56 0.00 0.00 36.38 34.49 2qbb s VAL 24 CO 0.41 0.00 1.68 0.07 -0.31 0.00 0.00 175.10 176.95 2qbb h LYS 25 N 2.19 0.29 -0.18 4.82 2.10 -2.02 0.31 116.57 124.09 2qbb h LYS 25 Ca -0.31 -0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.11 2qbb h LYS 25 Cb 1.25 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2qbb h LYS 25 CO 0.47 0.19 -0.71 0.78 -2.00 0.00 0.00 179.45 178.18 2qbb h GLY 26 N 0.30 0.84 0.00 0.07 0.00 -2.00 -3.50 103.07 98.78 2qbb h GLY 26 Ca 0.73 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2qbb h GLY 26 CO -0.52 1.01 0.00 0.61 0.00 0.00 0.00 176.54 177.64 2qbb n GLY 27 N 0.59 -0.14 3.77 4.60 0.00 0.11 -5.12 105.19 109.00 2qbb n GLY 27 Ca -0.06 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 2qbb n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbb s ARG 28 N -2.00 4.30 -0.37 1.61 3.52 -1.26 0.32 118.95 125.06 2qbb s ARG 28 Ca 0.00 1.75 0.04 0.00 -0.13 0.00 0.00 55.73 57.39 2qbb s ARG 28 Cb 0.00 -2.83 0.11 0.00 -1.56 0.00 0.00 34.95 30.67 2qbb s ARG 28 CO 0.00 -0.08 0.09 0.42 -0.81 0.00 0.00 175.30 174.92 2qbb s ILE 29 N -1.38 2.24 1.00 4.11 1.01 -0.68 -4.90 121.20 122.59 2qbb s ILE 29 Ca 0.53 -2.47 -0.11 0.00 0.00 0.00 0.00 60.65 58.60 2qbb s ILE 29 Cb -0.29 -2.64 0.18 0.00 0.01 0.00 0.00 42.46 39.72 2qbb s ILE 29 CO 0.37 -0.64 1.02 2.22 0.00 0.00 0.00 174.94 177.91 2qbb n PHE 30 N 4.08 0.04 -3.66 3.97 1.16 -1.26 -1.51 117.46 120.28 2qbb n PHE 30 Ca 0.04 0.23 -0.04 0.00 -1.87 0.00 0.00 57.45 55.81 2qbb n PHE 30 Cb 0.40 -1.89 0.02 0.00 -1.61 0.00 0.00 39.48 36.40 2qbb n PHE 30 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2qbb n SER 31 N -4.14 -1.35 -3.70 5.98 2.88 -0.44 -4.85 113.62 108.00 2qbb n SER 31 Ca 0.09 -1.82 -0.11 0.00 -1.33 0.00 0.00 58.87 55.70 2qbb n SER 31 Cb 0.53 2.22 -0.11 0.00 -0.75 0.00 0.00 64.21 66.10 2qbb n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qbb s PHE 32 N -3.78 -0.57 -0.07 0.66 0.08 -0.89 -4.06 117.98 109.35 2qbb s PHE 32 Ca 0.14 1.24 0.04 0.00 0.12 0.00 0.00 56.93 58.47 2qbb s PHE 32 Cb -0.03 0.24 -0.00 0.00 -0.57 0.00 0.00 43.02 42.67 2qbb s PHE 32 CO 0.06 -0.32 -0.20 0.95 -0.10 0.00 0.00 175.22 175.60 2qbb s THR 33 N 1.24 1.71 -0.07 0.64 -4.23 0.79 -0.43 115.64 115.31 2qbb s THR 33 Ca -0.08 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.61 2qbb s THR 33 Cb -0.08 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2qbb s THR 33 CO -0.11 0.48 -0.17 0.00 -0.54 0.00 0.00 174.62 174.28 2qbb s ALA 34 N 0.19 1.59 -0.22 3.99 0.00 0.32 -0.13 121.76 127.50 2qbb s ALA 34 Ca -0.10 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 2qbb s ALA 34 Cb -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2qbb s ALA 34 CO 0.05 0.22 0.05 -1.17 0.00 0.00 0.00 175.76 174.91 2qbb s LEU 35 N 0.34 3.46 0.02 0.00 2.96 0.20 -2.36 118.68 123.29 2qbb s LEU 35 Ca -0.12 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2qbb s LEU 35 Cb -0.15 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 2qbb s LEU 35 CO 0.04 0.03 0.08 0.28 -1.32 0.00 0.00 176.35 175.47 2qbb s THR 36 N 1.20 0.11 0.23 3.68 -1.32 -1.21 -1.27 115.64 117.06 2qbb s THR 36 Ca 0.04 -0.89 0.11 0.00 -1.21 0.00 0.00 61.69 59.74 2qbb s THR 36 Cb -0.14 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.23 2qbb s THR 36 CO 0.03 -0.49 -0.21 0.68 -2.21 0.00 0.00 174.62 172.42 2qbb s VAL 37 N -1.85 2.33 -0.06 5.08 -7.23 -1.08 0.64 120.40 118.23 2qbb s VAL 37 Ca -0.11 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 2qbb s VAL 37 Cb -0.06 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.73 2qbb s VAL 37 CO -0.01 -0.30 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.73 2qbb s VAL 38 N -2.20 0.69 0.28 1.32 1.01 -0.60 -2.95 120.40 117.96 2qbb s VAL 38 Ca 0.25 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2qbb s VAL 38 Cb -0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.54 2qbb s VAL 38 CO 0.12 0.28 -0.01 -0.83 0.00 0.00 0.00 175.10 174.66 2qbb s GLY 39 N 1.20 1.82 -0.01 4.51 0.00 -0.92 -2.82 107.32 111.09 2qbb s GLY 39 Ca -0.06 -1.91 0.12 0.00 0.00 0.00 0.00 44.72 42.87 2qbb s GLY 39 CO -0.02 -1.78 0.29 2.09 0.00 0.00 0.00 173.10 173.68 2qbb n ASP 40 N -0.56 2.08 0.00 1.64 5.75 -0.95 0.20 116.55 124.72 2qbb n ASP 40 Ca -0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2qbb n ASP 40 Cb 0.64 1.49 0.00 0.00 -1.03 0.00 0.00 41.12 42.22 2qbb n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbb n GLY 41 N 1.76 0.74 0.00 6.12 0.00 -0.07 -3.51 105.19 110.24 2qbb n GLY 41 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qbb n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbb n ASN 42 N 0.00 3.48 0.00 1.61 4.05 -1.25 -4.47 115.26 118.69 2qbb n ASN 42 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2qbb n ASN 42 Cb 0.00 0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.05 2qbb n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qbb n GLY 43 N 3.14 0.00 3.05 8.20 0.00 -1.15 -4.80 105.19 113.63 2qbb n GLY 43 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2qbb n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbb s ARG 44 N 0.00 1.44 0.00 1.61 3.00 -1.25 -1.15 118.95 122.59 2qbb s ARG 44 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 55.73 55.29 2qbb s ARG 44 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 34.95 33.69 2qbb s ARG 44 CO 0.00 0.13 0.00 1.33 0.00 0.00 0.00 175.30 176.76 2qbb n VAL 45 N 3.38 0.00 0.00 3.52 0.24 -0.87 -2.23 118.33 122.38 2qbb n VAL 45 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2qbb n VAL 45 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2qbb n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbb n GLY 46 N 1.70 3.02 3.90 7.63 0.00 -1.13 -1.02 105.19 119.30 2qbb n GLY 46 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2qbb n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbb s PHE 47 N 0.00 3.55 -0.21 1.61 -0.71 -1.26 -1.56 117.98 119.39 2qbb s PHE 47 Ca 0.00 0.94 -0.04 0.00 -1.04 0.00 0.00 56.93 56.79 2qbb s PHE 47 Cb 0.00 -2.48 0.09 0.00 -1.21 0.00 0.00 43.02 39.41 2qbb s PHE 47 CO 0.00 -0.47 0.16 0.20 -1.34 0.00 0.00 175.22 173.77 2qbb s GLY 48 N -4.15 0.21 -0.17 1.99 0.00 0.21 -4.28 107.32 101.13 2qbb s GLY 48 Ca 0.50 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.79 2qbb s GLY 48 CO 0.48 2.02 0.56 -0.47 0.00 0.00 0.00 173.10 175.69 2qbb s TYR 49 N 2.22 3.42 -0.05 1.90 5.04 -1.26 -3.30 117.35 125.33 2qbb s TYR 49 Ca 0.06 0.90 -0.12 0.00 -2.44 0.00 0.00 57.07 55.47 2qbb s TYR 49 Cb -0.16 -2.70 0.02 0.00 0.35 0.00 0.00 41.96 39.47 2qbb s TYR 49 CO -0.17 -0.05 0.27 0.20 -1.34 0.00 0.00 175.55 174.46 2qbb s GLY 50 N 1.01 -0.14 0.09 8.97 0.00 -1.00 -4.79 107.32 111.47 2qbb s GLY 50 Ca 0.27 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.44 2qbb s GLY 50 CO 0.11 0.26 -0.09 -1.59 0.00 0.00 0.00 173.10 171.79 2qbb s LYS 51 N -0.79 0.80 0.17 2.90 -2.85 -1.26 -0.52 119.74 118.18 2qbb s LYS 51 Ca -0.09 -1.14 -0.24 0.00 -1.00 0.00 0.00 55.97 53.50 2qbb s LYS 51 Cb -0.05 -0.42 0.06 0.00 -2.06 0.00 0.00 37.83 35.36 2qbb s LYS 51 CO 0.02 0.05 0.83 0.00 0.10 0.00 0.00 175.35 176.36 2qbb s ALA 52 N -2.57 -1.53 0.47 0.59 0.00 0.43 -4.68 121.76 114.47 2qbb s ALA 52 Ca 0.05 0.15 0.17 0.00 0.00 0.00 0.00 51.96 52.32 2qbb s ALA 52 Cb -0.02 0.71 1.14 0.00 0.00 0.00 0.00 23.12 24.95 2qbb s ALA 52 CO -0.01 -0.96 2.00 -0.09 0.00 0.00 0.00 175.76 176.70 2qbb h ARG 53 N 2.00 0.26 -5.94 0.00 2.43 -1.92 -2.37 114.38 108.84 2qbb h ARG 53 Ca -0.23 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.28 2qbb h ARG 53 Cb 1.25 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 2qbb h ARG 53 CO 0.27 0.18 -0.54 -1.21 -1.51 0.00 0.00 179.97 177.16 2qbb s GLU 54 N -5.27 3.24 0.13 0.20 0.41 -1.26 -4.65 118.70 111.51 2qbb s GLU 54 Ca -0.07 -0.45 -0.18 0.00 -0.41 0.00 0.00 54.97 53.87 2qbb s GLU 54 Cb 0.19 -2.96 -0.02 0.00 -1.78 0.00 0.00 34.13 29.56 2qbb s GLU 54 CO 0.74 0.64 1.76 0.28 -0.49 0.00 0.00 175.26 178.19 2qbb h VAL 55 N 2.76 1.11 -0.08 2.63 2.07 -1.92 -2.98 116.25 119.84 2qbb h VAL 55 Ca -0.48 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 2qbb h VAL 55 Cb 1.18 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2qbb h VAL 55 CO 0.68 0.11 -0.24 1.55 0.02 0.00 0.00 177.57 179.68 2qbb h PRO 56 N 0.42 0.30 -0.78 1.57 0.13 -1.95 -3.31 132.00 128.38 2qbb h PRO 56 Ca 0.12 -0.22 0.18 0.00 -0.87 0.00 0.00 66.00 65.21 2qbb h PRO 56 Cb 0.01 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.04 2qbb h PRO 56 CO -0.02 0.84 0.02 0.00 -0.23 0.00 0.00 178.00 178.61 2qbb h ALA 57 N 0.46 0.84 -0.21 -0.56 0.00 -1.94 -0.61 119.26 117.24 2qbb h ALA 57 Ca -0.01 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2qbb h ALA 57 Cb 0.87 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2qbb h ALA 57 CO 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 179.25 178.74 2qbb h ALA 58 N 1.73 0.03 0.22 0.00 0.00 -1.61 -2.22 119.26 117.41 2qbb h ALA 58 Ca 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2qbb h ALA 58 Cb 0.78 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qbb h ALA 58 CO -0.68 -0.56 -0.13 0.82 0.00 0.00 0.00 179.25 178.70 2qbb h ILE 59 N -0.12 0.72 -0.56 0.00 2.04 -1.26 0.13 117.51 118.47 2qbb h ILE 59 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 2qbb h ILE 59 Cb 0.30 0.72 -0.11 0.00 -0.74 0.00 0.00 36.82 36.99 2qbb h ILE 59 CO -0.28 0.00 -0.34 -0.61 0.00 0.00 0.00 178.15 176.92 2qbb h GLN 60 N -0.33 -0.17 -0.26 2.37 5.75 -0.99 0.28 115.11 121.75 2qbb h GLN 60 Ca -0.02 0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 2qbb h GLN 60 Cb 0.28 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2qbb h GLN 60 CO 0.02 -0.11 -0.47 1.57 -2.65 0.00 0.00 178.83 177.19 2qbb h LYS 61 N -0.18 0.70 0.00 1.69 2.10 -1.31 -2.70 116.57 116.87 2qbb h LYS 61 Ca 0.22 -0.40 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 2qbb h LYS 61 Cb 0.55 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2qbb h LYS 61 CO -0.66 1.02 -0.03 0.00 -2.00 0.00 0.00 179.45 177.78 2qbb h ALA 62 N 0.92 1.12 0.19 0.07 0.00 0.72 -2.06 119.26 120.21 2qbb h ALA 62 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2qbb h ALA 62 Cb 1.02 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.84 2qbb h ALA 62 CO 0.10 0.04 -1.16 0.52 0.00 0.00 0.00 179.25 178.74 2qbb h MET 63 N 0.00 0.40 -0.87 0.00 2.86 -0.20 -2.80 114.93 114.32 2qbb h MET 63 Ca -0.00 -0.68 0.06 0.00 -2.06 0.00 0.00 59.70 57.02 2qbb h MET 63 Cb 0.20 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2qbb h MET 63 CO 0.00 1.32 0.54 1.05 1.06 0.00 0.00 176.91 180.89 2qbb h GLU 64 N -0.14 0.97 -0.73 1.72 -0.00 -1.15 -0.43 114.58 114.81 2qbb h GLU 64 Ca -0.21 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.36 59.04 2qbb h GLU 64 Cb 1.88 -0.22 -0.03 0.00 -0.00 0.00 0.00 28.75 30.38 2qbb h GLU 64 CO 0.20 0.64 0.25 0.87 -0.00 0.00 0.00 179.01 180.96 2qbb h LYS 65 N 1.00 1.13 0.00 1.06 1.79 -1.48 -1.55 116.57 118.52 2qbb h LYS 65 Ca 0.37 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2qbb h LYS 65 Cb 0.14 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2qbb h LYS 65 CO -0.16 0.96 0.00 0.00 -1.08 0.00 0.00 179.45 179.16 2qbb h ALA 66 N 1.12 1.00 0.00 3.86 0.00 -0.81 -0.19 119.26 124.24 2qbb h ALA 66 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.83 2qbb h ALA 66 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2qbb h ALA 66 CO -0.01 0.00 -1.78 0.54 0.00 0.00 0.00 179.25 178.00 2qbb n ARG 67 N -2.58 0.57 -0.29 0.00 1.74 -0.70 -4.22 116.66 111.19 2qbb n ARG 67 Ca -0.02 0.44 0.18 0.00 -0.77 0.00 0.00 57.85 57.68 2qbb n ARG 67 Cb 0.06 -1.64 0.46 0.00 -1.02 0.00 0.00 32.46 30.33 2qbb n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbb h ARG 68 N -1.00 0.49 -4.16 5.56 2.47 -0.85 -3.29 114.38 113.60 2qbb h ARG 68 Ca -0.49 -0.03 -0.71 0.00 -1.26 0.00 0.00 59.98 57.49 2qbb h ARG 68 Cb 1.41 -0.11 -0.32 0.00 -1.65 0.00 0.00 29.97 29.30 2qbb h ARG 68 CO -0.29 0.32 -0.41 1.21 0.56 0.00 0.00 179.97 181.36 2qbb s ASN 69 N -5.53 5.50 0.00 7.04 2.47 -0.13 -5.06 114.94 119.23 2qbb s ASN 69 Ca -0.09 -2.23 0.00 0.00 0.42 0.00 0.00 52.86 50.96 2qbb s ASN 69 Cb 0.24 -1.92 0.00 0.00 -1.45 0.00 0.00 41.25 38.12 2qbb s ASN 69 CO 0.79 -0.56 0.00 0.23 -3.72 0.00 0.00 177.10 173.84 2qbb n MET 70 N 4.40 2.60 -3.57 0.43 2.81 -1.24 -4.31 117.12 118.24 2qbb n MET 70 Ca -0.01 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.81 2qbb n MET 70 Cb 0.41 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.88 2qbb n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qbb s ILE 71 N 0.03 0.00 -0.01 2.02 2.07 -0.19 -4.82 121.20 120.30 2qbb s ILE 71 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 2qbb s ILE 71 Cb 0.00 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2qbb s ILE 71 CO 0.00 0.00 -0.22 0.20 -1.91 0.00 0.00 174.94 173.01 2qbb s ASN 72 N -1.80 3.41 -0.03 4.50 -0.87 -1.26 -2.05 114.94 116.85 2qbb s ASN 72 Ca 0.04 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.94 2qbb s ASN 72 Cb -0.01 -0.50 0.02 0.00 -0.02 0.00 0.00 41.25 40.74 2qbb s ASN 72 CO -0.04 0.31 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.09 2qbb s VAL 73 N -0.70 0.29 -1.08 1.60 1.01 -0.30 -4.87 120.40 116.34 2qbb s VAL 73 Ca 0.11 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2qbb s VAL 73 Cb -0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 2qbb s VAL 73 CO 0.00 0.15 1.96 0.00 0.00 0.00 0.00 175.10 177.22 2qbb s ALA 74 N 0.79 1.64 -0.77 5.51 0.00 -1.26 -4.76 121.76 122.91 2qbb s ALA 74 Ca -0.09 -1.88 -0.23 0.00 0.00 0.00 0.00 51.96 49.77 2qbb s ALA 74 Cb -0.12 -4.64 0.07 0.00 0.00 0.00 0.00 23.12 18.43 2qbb s ALA 74 CO -0.01 -5.24 1.11 -0.51 0.00 0.00 0.00 175.76 171.12 2qbb s LEU 75 N 11.25 4.18 -0.48 0.00 1.43 -1.26 -4.31 118.68 129.49 2qbb s LEU 75 Ca 0.70 -1.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 2qbb s LEU 75 Cb -0.03 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2qbb s LEU 75 CO 0.09 -1.45 2.20 0.21 0.23 0.00 0.00 176.35 177.64 2qbb s ASN 76 N 3.84 4.86 1.44 2.29 2.47 -1.21 -4.60 114.94 124.04 2qbb s ASN 76 Ca 0.30 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.57 2qbb s ASN 76 Cb -0.11 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2qbb s ASN 76 CO 0.05 -2.57 0.00 -3.20 -3.72 0.00 0.00 177.10 167.66 2qbb n ASN 77 N 14.24 0.00 -0.17 -4.21 2.85 -1.26 -2.73 115.26 123.98 2qbb n ASN 77 Ca 0.31 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.80 2qbb n ASN 77 Cb 0.52 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.55 2qbb n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbb n GLY 78 N 0.00 -0.54 0.00 8.20 0.00 -1.26 -4.99 105.19 106.60 2qbb n GLY 78 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2qbb n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbb n THR 79 N -0.06 0.00 -2.77 2.61 5.66 -1.11 0.49 114.28 119.11 2qbb n THR 79 Ca 0.03 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.78 2qbb n THR 79 Cb 0.12 -0.29 0.02 0.00 -1.55 0.00 0.00 70.33 68.63 2qbb n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qbb s LEU 80 N 0.00 3.52 0.27 1.09 1.43 -1.26 -3.33 118.68 120.40 2qbb s LEU 80 Ca 0.00 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 2qbb s LEU 80 Cb 0.00 -3.37 0.35 0.00 0.03 0.00 0.00 46.19 43.20 2qbb s LEU 80 CO 0.00 -0.79 1.61 -0.61 0.23 0.00 0.00 176.35 176.79 2qbb h GLN 81 N 0.20 0.09 -1.19 1.70 5.75 -1.87 -3.42 115.11 116.37 2qbb h GLN 81 Ca -0.46 -0.06 0.36 0.00 -0.15 0.00 0.00 58.65 58.34 2qbb h GLN 81 Cb 1.25 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.66 2qbb h GLN 81 CO 0.59 0.65 0.93 -3.38 -2.65 0.00 0.00 178.83 174.97 2qbb s HIS 82 N -3.72 -0.02 0.19 3.99 -3.43 -1.26 -5.01 115.29 106.03 2qbb s HIS 82 Ca -0.02 -0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 53.91 2qbb s HIS 82 Cb 0.13 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.69 2qbb s HIS 82 CO 0.77 -0.11 1.53 -1.25 -2.00 0.00 0.00 174.74 173.68 2qbb s PRO 83 N -2.18 4.23 0.20 -0.38 0.04 -1.26 -4.58 135.00 131.06 2qbb s PRO 83 Ca 0.14 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2qbb s PRO 83 Cb 0.05 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 2qbb s PRO 83 CO -0.05 -0.56 0.01 1.33 0.04 0.00 0.00 177.00 177.77 2qbb n VAL 84 N 3.45 0.00 -2.98 -0.36 0.24 -0.90 -4.95 118.33 112.84 2qbb n VAL 84 Ca 0.12 -0.98 -0.07 0.00 -2.04 0.00 0.00 64.34 61.36 2qbb n VAL 84 Cb 0.39 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.97 2qbb n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2qbb s LYS 85 N -2.73 0.97 0.70 7.34 2.20 -1.26 -1.96 119.74 125.01 2qbb s LYS 85 Ca 0.02 -1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 54.46 2qbb s LYS 85 Cb 0.00 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.06 2qbb s LYS 85 CO 0.01 -1.30 1.07 0.20 -0.36 0.00 0.00 175.35 174.97 2qbb s GLY 86 N 0.97 1.64 -0.05 5.54 0.00 -0.73 -4.84 107.32 109.85 2qbb s GLY 86 Ca 0.27 -0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 2qbb s GLY 86 CO -0.07 0.15 0.79 0.54 0.00 0.00 0.00 173.10 174.51 2qbb s VAL 87 N -3.23 0.00 -0.29 1.40 0.11 -1.25 -0.13 120.40 117.01 2qbb s VAL 87 Ca 0.58 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 2qbb s VAL 87 Cb -0.12 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.88 2qbb s VAL 87 CO 0.53 0.00 0.98 -2.28 -3.33 0.00 0.00 175.10 171.00 2qbb s HIS 88 N -1.75 -0.61 0.00 1.54 2.46 0.61 -4.76 115.29 112.78 2qbb s HIS 88 Ca -0.04 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2qbb s HIS 88 Cb -0.00 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2qbb s HIS 88 CO 0.02 -0.30 0.00 2.41 -2.47 0.00 0.00 174.74 174.40 2qbb n THR 89 N 4.16 0.00 -0.26 0.89 -1.04 -1.26 -1.17 114.28 115.60 2qbb n THR 89 Ca -0.15 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.92 2qbb n THR 89 Cb 0.56 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.35 2qbb n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbb n GLY 90 N 0.00 2.38 3.33 3.41 0.00 -1.26 -4.84 105.19 108.21 2qbb n GLY 90 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2qbb n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbb s SER 91 N -0.65 4.83 -0.12 1.61 0.15 -0.31 0.13 113.70 119.32 2qbb s SER 91 Ca 0.39 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.47 2qbb s SER 91 Cb 0.28 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 2qbb s SER 91 CO 0.14 -0.12 -0.20 -0.13 1.20 0.00 0.00 173.24 174.13 2qbb s ARG 92 N 1.48 2.74 0.17 5.44 0.52 -0.91 -0.28 118.95 128.12 2qbb s ARG 92 Ca 0.03 -0.75 0.10 0.00 -0.52 0.00 0.00 55.73 54.59 2qbb s ARG 92 Cb -0.16 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 2qbb s ARG 92 CO 0.00 -0.01 -0.21 0.08 0.02 0.00 0.00 175.30 175.18 2qbb s VAL 93 N 0.82 2.05 -0.29 3.52 1.01 0.82 0.11 120.40 128.44 2qbb s VAL 93 Ca -0.08 -1.91 -0.01 0.00 0.00 0.00 0.00 61.98 59.98 2qbb s VAL 93 Cb -0.16 -1.93 0.09 0.00 0.00 0.00 0.00 36.38 34.38 2qbb s VAL 93 CO -0.01 -0.18 0.08 0.12 0.00 0.00 0.00 175.10 175.11 2qbb s PHE 94 N -1.73 1.67 0.56 5.22 2.19 -0.63 -1.78 117.98 123.48 2qbb s PHE 94 Ca 0.17 -1.62 -0.06 0.00 0.33 0.00 0.00 56.93 55.75 2qbb s PHE 94 Cb -0.07 -1.62 -0.01 0.00 -1.31 0.00 0.00 43.02 40.01 2qbb s PHE 94 CO 0.08 -0.83 0.87 -1.64 1.83 0.00 0.00 175.22 175.52 2qbb s MET 95 N 1.63 3.13 -0.29 10.12 -1.94 -0.83 -1.73 119.30 129.39 2qbb s MET 95 Ca 0.07 0.07 -0.18 0.00 -1.71 0.00 0.00 55.69 53.94 2qbb s MET 95 Cb -0.17 -2.30 0.14 0.00 2.01 0.00 0.00 34.83 34.50 2qbb s MET 95 CO -0.22 -0.54 0.98 -1.14 -0.01 0.00 0.00 175.02 174.09 2qbb s GLN 96 N -4.91 0.41 0.13 2.03 0.74 -1.26 -2.11 119.66 114.68 2qbb s GLN 96 Ca 0.52 0.66 -0.31 0.00 0.05 0.00 0.00 55.36 56.28 2qbb s GLN 96 Cb -0.10 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.03 2qbb s GLN 96 CO 0.45 -0.08 1.49 -1.25 -0.55 0.00 0.00 175.29 175.36 2qbb s PRO 97 N 1.13 4.26 0.51 1.67 0.04 -1.26 -2.48 135.00 138.86 2qbb s PRO 97 Ca -0.07 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.28 2qbb s PRO 97 Cb -0.04 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.30 2qbb s PRO 97 CO -0.14 -0.54 0.58 0.00 0.04 0.00 0.00 177.00 176.95 2qbb s ALA 98 N 1.26 4.49 0.81 8.56 0.00 -0.90 -4.88 121.76 131.11 2qbb s ALA 98 Ca 0.68 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 2qbb s ALA 98 Cb -0.40 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.55 2qbb s ALA 98 CO 0.31 -0.53 1.09 0.45 0.00 0.00 0.00 175.76 177.07 2qbb s SER 99 N -4.42 4.30 0.00 0.00 0.15 -1.26 -4.78 113.70 107.69 2qbb s SER 99 Ca 0.52 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.62 2qbb s SER 99 Cb -0.05 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2qbb s SER 99 CO 0.32 -2.11 0.57 -0.62 1.20 0.00 0.00 173.24 172.60 2qbb n GLU 100 N -3.54 0.53 0.00 5.44 1.02 -1.26 -2.44 120.64 120.40 2qbb n GLU 100 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2qbb n GLU 100 Cb 0.55 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2qbb n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbb n GLY 101 N 0.04 0.00 0.00 0.62 0.00 -1.26 -4.94 105.19 99.64 2qbb n GLY 101 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qbb n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qbb n THR 102 N -1.32 0.00 0.00 2.61 -1.04 -1.02 -5.07 114.28 108.44 2qbb n THR 102 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2qbb n THR 102 Cb 0.03 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 2qbb n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbb n GLY 103 N 0.00 1.40 3.74 3.41 0.00 -1.26 -5.03 105.19 107.45 2qbb n GLY 103 Ca 0.00 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 2qbb n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbb s ILE 104 N -1.18 3.08 -0.35 -0.61 2.07 -0.80 -1.88 121.20 121.52 2qbb s ILE 104 Ca 0.00 0.89 0.02 0.00 -1.41 0.00 0.00 60.65 60.15 2qbb s ILE 104 Cb 0.00 -3.57 0.15 0.00 0.13 0.00 0.00 42.46 39.17 2qbb s ILE 104 CO 0.00 0.14 0.33 -0.63 -1.91 0.00 0.00 174.94 172.87 2qbb s ILE 105 N 0.07 -0.26 0.30 2.00 1.01 -1.15 -4.91 121.20 118.27 2qbb s ILE 105 Ca 0.57 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 2qbb s ILE 105 Cb -0.38 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2qbb s ILE 105 CO 0.39 -0.64 0.59 0.00 0.00 0.00 0.00 174.94 175.28 2qbb s ALA 106 N 1.51 -0.34 0.83 9.38 0.00 -1.26 -2.81 121.76 129.08 2qbb s ALA 106 Ca 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2qbb s ALA 106 Cb -0.16 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2qbb s ALA 106 CO -0.07 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2qbb n GLY 107 N -0.46 0.53 0.00 0.00 0.00 -1.26 -4.59 105.19 99.41 2qbb n GLY 107 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2qbb n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbb n GLY 108 N 4.55 -2.11 0.26 -0.02 0.00 -1.26 -2.64 105.19 103.97 2qbb n GLY 108 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2qbb n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbb h ALA 109 N -2.03 1.31 0.06 4.61 0.00 -1.92 -1.47 119.26 119.83 2qbb h ALA 109 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbb h ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qbb h ALA 109 CO 0.00 -0.31 -0.03 0.52 0.00 0.00 0.00 179.25 179.43 2qbb h MET 110 N 0.00 -0.07 0.10 0.00 2.07 -1.90 -3.23 114.93 111.90 2qbb h MET 110 Ca 0.00 0.01 -0.27 0.00 -2.07 0.00 0.00 59.70 57.36 2qbb h MET 110 Cb 0.73 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.46 2qbb h MET 110 CO 0.00 -0.05 -1.30 0.07 1.07 0.00 0.00 176.91 176.70 2qbb h ARG 111 N -0.08 0.20 -0.96 1.72 0.11 -1.02 -3.31 114.38 111.05 2qbb h ARG 111 Ca -0.01 -0.35 0.28 0.00 0.10 0.00 0.00 59.98 60.00 2qbb h ARG 111 Cb 0.06 0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 2qbb h ARG 111 CO 0.01 1.11 0.83 0.00 0.10 0.00 0.00 179.97 182.03 2qbb h ALA 112 N 0.65 2.82 0.06 0.08 0.00 -1.54 -0.90 119.26 120.44 2qbb h ALA 112 Ca -0.15 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.40 2qbb h ALA 112 Cb 1.95 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2qbb h ALA 112 CO 0.17 -1.32 -1.82 1.33 0.00 0.00 0.00 179.25 177.61 2qbb n VAL 113 N -3.83 1.66 -0.12 0.00 0.24 -1.23 -3.95 118.33 111.09 2qbb n VAL 113 Ca 0.20 -0.41 0.10 0.00 -2.04 0.00 0.00 64.34 62.19 2qbb n VAL 113 Cb 1.15 -1.83 0.44 0.00 -1.47 0.00 0.00 33.84 32.13 2qbb n VAL 113 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qbb h LEU 114 N -0.39 0.48 0.44 1.34 3.38 -1.30 0.50 115.31 119.77 2qbb h LEU 114 Ca -0.43 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2qbb h LEU 114 Cb 1.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2qbb h LEU 114 CO -0.07 0.30 -0.21 -0.08 0.09 0.00 0.00 178.44 178.47 2qbb h GLU 115 N 0.54 -0.57 0.00 1.13 4.81 -1.41 -0.88 114.58 118.20 2qbb h GLU 115 Ca 0.29 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.40 2qbb h GLU 115 Cb 0.43 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2qbb h GLU 115 CO -0.09 -0.32 -0.74 -0.39 -0.73 0.00 0.00 179.01 176.74 2qbb h VAL 116 N -0.71 1.51 0.00 0.32 -1.51 -1.57 -3.14 116.25 111.15 2qbb h VAL 116 Ca -0.06 -2.56 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 2qbb h VAL 116 Cb 0.51 2.39 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2qbb h VAL 116 CO 0.10 0.73 -0.04 0.00 -1.23 0.00 0.00 177.57 177.12 2qbb h ALA 117 N 1.26 1.46 0.00 5.19 0.00 -0.01 -0.07 119.26 127.09 2qbb h ALA 117 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qbb h ALA 117 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2qbb h ALA 117 CO 0.10 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2qbb n GLY 118 N -1.12 0.80 3.75 0.00 0.00 -1.14 -2.94 105.19 104.54 2qbb n GLY 118 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2qbb n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbb s VAL 119 N -2.00 3.42 0.00 1.61 1.01 -0.35 -4.81 120.40 119.27 2qbb s VAL 119 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2qbb s VAL 119 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2qbb s VAL 119 CO 0.00 0.27 0.00 1.41 0.00 0.00 0.00 175.10 176.78 2qbb n HIS 120 N 1.70 0.00 -3.79 5.22 -0.00 0.18 -4.31 115.22 114.22 2qbb n HIS 120 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.44 2qbb n HIS 120 Cb 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.28 2qbb n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qbb s ASN 121 N -2.69 3.58 0.29 0.41 0.01 -1.20 -1.90 114.94 113.43 2qbb s ASN 121 Ca 0.00 -1.23 -0.09 0.00 -0.71 0.00 0.00 52.86 50.83 2qbb s ASN 121 Cb 0.00 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.82 2qbb s ASN 121 CO 0.00 -0.33 0.49 0.68 -1.51 0.00 0.00 177.10 176.42 2qbb s VAL 122 N 1.65 0.00 -0.48 1.60 -7.23 -0.79 -2.11 120.40 113.04 2qbb s VAL 122 Ca 0.02 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 2qbb s VAL 122 Cb -0.18 -2.42 0.25 0.00 0.56 0.00 0.00 36.38 34.59 2qbb s VAL 122 CO -0.14 0.00 0.85 0.00 -0.31 0.00 0.00 175.10 175.50 2qbb n LEU 123 N -0.45 -2.48 -4.96 1.32 -0.00 -1.04 -2.92 117.00 106.48 2qbb n LEU 123 Ca -0.01 -3.51 -0.22 0.00 -0.00 0.00 0.00 56.01 52.26 2qbb n LEU 123 Cb 0.62 0.82 0.01 0.00 -0.00 0.00 0.00 43.42 44.87 2qbb n LEU 123 CO 0.26 2.01 0.28 0.00 -0.00 0.00 0.00 177.39 179.94 2qbb s ALA 124 N 0.43 3.81 0.06 1.47 0.00 -1.12 -4.50 121.76 121.90 2qbb s ALA 124 Ca 0.32 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2qbb s ALA 124 Cb 0.23 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2qbb s ALA 124 CO -0.22 -0.41 -0.18 0.21 0.00 0.00 0.00 175.76 175.16 2qbb s LYS 125 N -4.56 1.15 -0.22 0.00 2.47 -0.71 -4.60 119.74 113.27 2qbb s LYS 125 Ca 0.49 -0.93 -0.08 0.00 -1.56 0.00 0.00 55.97 53.89 2qbb s LYS 125 Cb -0.10 -1.26 -0.04 0.00 -1.46 0.00 0.00 37.83 34.97 2qbb s LYS 125 CO 0.38 0.31 0.08 0.00 0.16 0.00 0.00 175.35 176.27 2qbb s ALA 126 N -0.93 3.30 0.44 3.13 0.00 -1.26 -1.61 121.76 124.84 2qbb s ALA 126 Ca 0.05 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2qbb s ALA 126 Cb -0.09 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 2qbb s ALA 126 CO 0.02 -0.20 0.11 0.71 0.00 0.00 0.00 175.76 176.40 2qbb s TYR 127 N 1.09 2.36 0.00 0.00 2.02 0.29 -5.01 117.35 118.10 2qbb s TYR 127 Ca 0.05 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 2qbb s TYR 127 Cb -0.14 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2qbb s TYR 127 CO 0.03 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 2qbb n GLY 128 N -1.19 1.11 3.77 0.71 0.00 -1.26 -2.13 105.19 106.19 2qbb n GLY 128 Ca -0.06 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 2qbb n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbb s SER 129 N -4.00 7.37 -0.44 1.61 1.04 0.34 -4.92 113.70 114.69 2qbb s SER 129 Ca 0.00 1.98 0.04 0.00 0.48 0.00 0.00 55.95 58.46 2qbb s SER 129 Cb 0.00 -2.60 0.66 0.00 0.10 0.00 0.00 66.02 64.17 2qbb s SER 129 CO 0.00 -0.05 1.89 0.35 0.98 0.00 0.00 173.24 176.40 2qbb n THR 130 N 0.94 3.16 -1.72 2.02 -2.24 -1.26 -4.13 114.28 111.05 2qbb n THR 130 Ca 0.00 -2.00 -0.42 0.00 -2.27 0.00 0.00 64.05 59.36 2qbb n THR 130 Cb 0.48 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 2qbb n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qbb n ASN 131 N -1.15 3.73 0.34 3.42 5.15 -1.26 -4.77 115.26 120.72 2qbb n ASN 131 Ca 0.58 1.11 -0.18 0.00 -0.60 0.00 0.00 54.58 55.49 2qbb n ASN 131 Cb 1.62 -1.56 -0.09 0.00 -0.53 0.00 0.00 39.78 39.22 2qbb n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qbb h PRO 132 N 5.47 -0.95 -1.43 1.20 0.13 -1.98 0.65 132.00 135.09 2qbb h PRO 132 Ca -0.45 0.06 0.41 0.00 -0.87 0.00 0.00 66.00 65.16 2qbb h PRO 132 Cb 1.22 0.22 -0.06 0.00 0.13 0.00 0.00 31.00 32.51 2qbb h PRO 132 CO 0.85 -0.63 1.10 0.82 -0.23 0.00 0.00 178.00 179.90 2qbb h ILE 133 N -0.99 0.20 0.00 -3.56 2.04 -2.00 -1.43 117.51 111.78 2qbb h ILE 133 Ca -0.07 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.48 2qbb h ILE 133 Cb 0.82 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2qbb h ILE 133 CO 0.03 0.00 -2.17 0.59 0.00 0.00 0.00 178.15 176.60 2qbb n ASN 134 N -3.94 1.86 0.05 1.72 3.02 -0.99 -4.35 115.26 112.63 2qbb n ASN 134 Ca 0.32 -0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.66 2qbb n ASN 134 Cb 1.54 0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 40.75 2qbb n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qbb h VAL 135 N 0.00 0.13 -0.24 2.41 2.07 0.14 0.33 116.25 121.09 2qbb h VAL 135 Ca -0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.12 2qbb h VAL 135 Cb 1.83 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2qbb h VAL 135 CO -0.04 0.00 -0.31 1.62 0.02 0.00 0.00 177.57 178.86 2qbb h VAL 136 N -0.58 0.28 -0.94 2.57 3.04 -1.72 0.20 116.25 119.11 2qbb h VAL 136 Ca 0.05 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.82 2qbb h VAL 136 Cb 0.66 0.28 -0.07 0.00 -2.01 0.00 0.00 31.29 30.16 2qbb h VAL 136 CO -0.34 0.00 0.61 -0.09 -1.01 0.00 0.00 177.57 176.74 2qbb h ARG 137 N -0.32 0.98 -0.54 4.17 2.43 -1.68 0.38 114.38 119.80 2qbb h ARG 137 Ca 0.13 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2qbb h ARG 137 Cb 0.53 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2qbb h ARG 137 CO -0.42 0.65 0.08 0.00 -1.51 0.00 0.00 179.97 178.77 2qbb h ALA 138 N 1.52 0.72 0.38 2.80 0.00 0.37 -1.16 119.26 123.88 2qbb h ALA 138 Ca 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qbb h ALA 138 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qbb h ALA 138 CO -0.18 0.47 -0.18 1.15 0.00 0.00 0.00 179.25 180.50 2qbb h THR 139 N 0.79 0.64 -0.04 0.00 2.02 0.11 -2.40 112.91 114.02 2qbb h THR 139 Ca 0.16 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.14 2qbb h THR 139 Cb 0.42 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2qbb h THR 139 CO 0.01 0.04 -0.45 0.40 0.37 0.00 0.00 175.52 175.89 2qbb h ILE 140 N -0.63 0.00 -1.17 3.11 2.04 -0.23 -0.08 117.51 120.54 2qbb h ILE 140 Ca -0.05 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.14 2qbb h ILE 140 Cb 0.46 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.46 2qbb h ILE 140 CO 0.09 0.00 0.79 -0.78 0.00 0.00 0.00 178.15 178.24 2qbb h ASP 141 N -0.54 0.25 0.41 1.72 1.82 -1.22 0.46 116.42 119.32 2qbb h ASP 141 Ca 0.02 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2qbb h ASP 141 Cb 0.59 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2qbb h ASP 141 CO -0.32 0.01 -0.22 1.23 -1.61 0.00 0.00 179.24 178.33 2qbb h GLY 142 N 0.20 -0.61 0.67 -0.78 0.00 -0.48 -2.00 103.07 100.07 2qbb h GLY 142 Ca 0.64 0.24 0.05 0.00 0.00 0.00 0.00 47.33 48.26 2qbb h GLY 142 CO -0.21 -0.23 0.25 1.41 0.00 0.00 0.00 176.54 177.77 2qbb h LEU 143 N -0.58 0.35 -0.24 3.11 3.38 -0.61 -0.36 115.31 120.35 2qbb h LEU 143 Ca -0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qbb h LEU 143 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2qbb h LEU 143 CO 0.08 0.24 0.00 1.21 0.09 0.00 0.00 178.44 180.06 2qbb n GLU 144 N -4.90 0.03 -0.02 1.13 2.13 -0.75 -2.28 120.64 115.99 2qbb n GLU 144 Ca 0.05 0.44 -0.07 0.00 0.66 0.00 0.00 57.16 58.24 2qbb n GLU 144 Cb 0.16 -1.59 -0.13 0.00 0.27 0.00 0.00 31.44 30.15 2qbb n GLU 144 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2qbb n ASN 145 N -1.65 0.79 -4.77 4.31 5.15 -0.15 -4.92 115.26 114.01 2qbb n ASN 145 Ca 0.01 0.37 -0.38 0.00 -0.60 0.00 0.00 54.58 53.98 2qbb n ASN 145 Cb 0.07 0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.35 2qbb n ASN 145 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qbb s MET 146 N -2.64 4.22 -0.03 1.20 0.23 -0.97 -5.05 119.30 116.26 2qbb s MET 146 Ca -0.05 1.70 0.06 0.00 -1.03 0.00 0.00 55.69 56.38 2qbb s MET 146 Cb 0.08 -2.73 -0.01 0.00 -1.53 0.00 0.00 34.83 30.64 2qbb s MET 146 CO 0.82 -0.14 -0.23 0.54 -2.03 0.00 0.00 175.02 173.99 2qbb s ASN 147 N -1.25 2.72 0.96 -1.18 2.20 -1.26 -4.77 114.94 112.36 2qbb s ASN 147 Ca 0.55 -0.43 -0.11 0.00 -0.94 0.00 0.00 52.86 51.92 2qbb s ASN 147 Cb -0.27 -0.52 0.17 0.00 -2.00 0.00 0.00 41.25 38.63 2qbb s ASN 147 CO 0.35 0.25 1.09 -0.94 -2.94 0.00 0.00 177.10 174.91 2qbb s SER 148 N -0.33 2.77 0.13 3.54 1.04 -1.26 -4.85 113.70 114.74 2qbb s SER 148 Ca 0.03 1.72 -0.18 0.00 0.48 0.00 0.00 55.95 58.00 2qbb s SER 148 Cb -0.11 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2qbb s SER 148 CO 0.01 -3.12 1.72 1.55 0.98 0.00 0.00 173.24 174.39 2qbb h PRO 149 N -1.88 0.43 -0.01 4.02 0.13 -1.97 -1.30 132.00 131.42 2qbb h PRO 149 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2qbb h PRO 149 Cb 1.29 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qbb h PRO 149 CO 0.50 0.37 0.02 1.05 -0.23 0.00 0.00 178.00 179.71 2qbb h GLU 150 N 0.37 0.00 -0.01 0.86 9.09 -1.98 0.23 114.58 123.15 2qbb h GLU 150 Ca 0.11 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.36 2qbb h GLU 150 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.15 2qbb h GLU 150 CO -0.02 0.00 -0.74 0.52 0.05 0.00 0.00 179.01 178.83 2qbb h MET 151 N 0.00 0.07 0.09 1.06 2.86 -1.59 -2.66 114.93 114.75 2qbb h MET 151 Ca 0.01 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 2qbb h MET 151 Cb 0.05 0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.74 2qbb h MET 151 CO -0.00 0.77 -0.71 0.28 1.06 0.00 0.00 176.91 178.32 2qbb h VAL 152 N 0.05 1.49 0.00 -2.22 2.07 -0.21 -2.61 116.25 114.82 2qbb h VAL 152 Ca -0.01 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2qbb h VAL 152 Cb 1.30 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2qbb h VAL 152 CO 0.10 0.67 0.00 0.00 0.02 0.00 0.00 177.57 178.36 2qbb h ALA 153 N 0.16 1.00 0.13 1.67 0.00 -1.03 -0.25 119.26 120.94 2qbb h ALA 153 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 2qbb h ALA 153 Cb 1.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2qbb h ALA 153 CO 0.13 0.00 -1.90 0.00 0.00 0.00 0.00 179.25 177.49 2qbb h ALA 154 N 2.02 0.38 -0.83 0.00 0.00 -1.41 -3.35 119.26 116.07 2qbb h ALA 154 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 54.91 53.63 2qbb h ALA 154 Cb 0.04 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2qbb h ALA 154 CO 0.00 1.25 0.54 0.87 0.00 0.00 0.00 179.25 181.91 2qbb h LYS 155 N 0.08 0.97 -5.28 0.00 1.57 -0.66 -3.44 116.57 109.80 2qbb h LYS 155 Ca -0.39 -0.06 -0.45 0.00 -1.87 0.00 0.00 60.65 57.88 2qbb h LYS 155 Cb 2.05 -0.22 -0.14 0.00 0.08 0.00 0.00 32.23 34.00 2qbb h LYS 155 CO 0.12 0.64 -0.65 -0.98 -0.57 0.00 0.00 179.45 178.01 2qbb s ARG 156 N -5.86 1.52 0.05 3.15 1.70 -0.91 -4.97 118.95 113.63 2qbb s ARG 156 Ca -0.11 -1.80 0.00 0.00 -0.47 0.00 0.00 55.73 53.35 2qbb s ARG 156 Cb 0.19 -0.89 0.00 0.00 -0.57 0.00 0.00 34.95 33.68 2qbb s ARG 156 CO 0.79 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 175.34 2qbb n GLY 157 N -0.57 0.69 3.52 3.88 0.00 -1.26 -4.65 105.19 106.81 2qbb n GLY 157 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2qbb n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60