#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s LEU 10 N 0.00 -0.43 -0.35 -1.84 1.43 -1.25 -4.03 118.68 112.21 2qbh s LEU 10 Ca 0.00 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2qbh s LEU 10 Cb 0.00 0.80 0.02 0.00 0.03 0.00 0.00 46.19 47.03 2qbh s LEU 10 CO 0.00 -0.33 0.18 -1.10 0.23 0.00 0.00 176.35 175.33 2qbh s GLN 11 N 2.45 2.98 -0.80 1.70 -0.21 -0.33 -4.96 119.66 120.48 2qbh s GLN 11 Ca 0.10 -0.97 -0.12 0.00 0.02 0.00 0.00 55.36 54.39 2qbh s GLN 11 Cb -0.15 -3.64 0.21 0.00 1.00 0.00 0.00 33.01 30.43 2qbh s GLN 11 CO -0.19 -0.60 0.72 -1.21 -2.12 0.00 0.00 175.29 171.89 2qbh s GLU 12 N 1.56 3.45 -0.22 2.91 2.02 -1.26 -2.64 118.70 124.52 2qbh s GLU 12 Ca 0.03 -2.50 -0.18 0.00 0.02 0.00 0.00 54.97 52.33 2qbh s GLU 12 Cb -0.18 -4.32 -0.03 0.00 0.10 0.00 0.00 34.13 29.70 2qbh s GLU 12 CO 0.06 -1.27 0.52 0.21 0.02 0.00 0.00 175.26 174.80 2qbh s LYS 13 N 0.08 4.15 -0.29 1.61 2.47 -1.16 -4.99 119.74 121.61 2qbh s LYS 13 Ca 0.18 0.38 -0.29 0.00 -1.56 0.00 0.00 55.97 54.68 2qbh s LYS 13 Cb -0.12 -3.59 0.01 0.00 -1.46 0.00 0.00 37.83 32.67 2qbh s LYS 13 CO -0.08 -0.22 1.06 -1.17 0.16 0.00 0.00 175.35 175.10 2qbh s LEU 14 N 1.89 3.99 -0.02 5.43 1.98 -1.26 -2.70 118.68 127.98 2qbh s LEU 14 Ca 0.23 1.15 -0.15 0.00 -2.89 0.00 0.00 54.13 52.47 2qbh s LEU 14 Cb -0.15 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.07 2qbh s LEU 14 CO 0.09 -0.81 0.72 0.40 -1.89 0.00 0.00 176.35 174.86 2qbh h ILE 15 N 5.64 0.00 -1.62 6.68 2.04 -1.52 -3.49 117.51 125.24 2qbh h ILE 15 Ca -0.20 -0.42 0.26 0.00 1.00 0.00 0.00 64.86 65.49 2qbh h ILE 15 Cb 1.06 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.99 2qbh h ILE 15 CO 1.01 0.00 0.76 0.00 0.00 0.00 0.00 178.15 179.92 2qbh s ALA 16 N -4.02 -2.07 -0.02 1.87 0.00 -1.10 -4.96 121.76 111.47 2qbh s ALA 16 Ca -0.08 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2qbh s ALA 16 Cb 0.01 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.29 2qbh s ALA 16 CO 0.24 -0.79 -0.04 0.54 0.00 0.00 0.00 175.76 175.71 2qbh s VAL 17 N -2.56 0.42 0.28 0.00 0.11 -1.26 -0.77 120.40 116.62 2qbh s VAL 17 Ca 0.11 -0.16 0.10 0.00 -2.93 0.00 0.00 61.98 59.10 2qbh s VAL 17 Cb 0.01 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2qbh s VAL 17 CO -0.04 0.15 -0.01 0.20 -3.33 0.00 0.00 175.10 172.06 2qbh s ASN 18 N 0.31 4.40 0.00 3.54 -0.87 0.73 -4.96 114.94 118.09 2qbh s ASN 18 Ca -0.03 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.51 2qbh s ASN 18 Cb -0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 41.25 40.42 2qbh s ASN 18 CO -0.00 -0.05 0.00 -1.14 -2.57 0.00 0.00 177.10 173.34 2qbh n ARG 19 N -0.89 0.00 -0.71 -0.60 0.63 -1.26 -1.00 116.66 112.84 2qbh n ARG 19 Ca -0.06 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2qbh n ARG 19 Cb 0.60 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.96 2qbh n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qbh n VAL 20 N -0.80 -1.66 -4.03 5.15 0.31 -1.26 -2.45 118.33 113.59 2qbh n VAL 20 Ca 0.00 0.75 -0.02 0.00 -0.01 0.00 0.00 64.34 65.06 2qbh n VAL 20 Cb 0.00 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 2qbh n VAL 20 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbh n SER 21 N -1.77 -0.04 -3.21 4.52 3.41 -1.26 -1.13 113.62 114.13 2qbh n SER 21 Ca 0.00 -1.20 -0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2qbh n SER 21 Cb 0.17 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 2qbh n SER 21 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2qbh s LYS 22 N -2.13 0.71 0.29 4.33 2.20 -0.66 -4.93 119.74 119.56 2qbh s LYS 22 Ca 0.04 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 2qbh s LYS 22 Cb 0.00 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.28 2qbh s LYS 22 CO 0.03 -1.14 1.17 -0.08 -0.36 0.00 0.00 175.35 174.96 2qbh s THR 23 N 2.14 3.25 0.33 3.43 -1.32 -1.26 -1.76 115.64 120.44 2qbh s THR 23 Ca 0.14 1.25 -0.06 0.00 -1.21 0.00 0.00 61.69 61.82 2qbh s THR 23 Cb -0.07 -3.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.13 2qbh s THR 23 CO -0.13 0.30 0.51 0.68 -2.21 0.00 0.00 174.62 173.76 2qbh s VAL 24 N -1.13 0.00 0.12 5.08 -7.23 0.23 -4.94 120.40 112.53 2qbh s VAL 24 Ca 0.46 -1.50 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 2qbh s VAL 24 Cb -0.34 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 2qbh s VAL 24 CO 0.45 0.00 1.09 2.29 -0.31 0.00 0.00 175.10 178.62 2qbh n LYS 25 N -0.53 -0.30 -0.06 4.82 2.85 -1.26 0.14 118.16 123.82 2qbh n LYS 25 Ca -0.01 1.07 -0.07 0.00 -1.05 0.00 0.00 58.31 58.25 2qbh n LYS 25 Cb 0.61 -1.58 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 2qbh n LYS 25 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2qbh h GLY 26 N 0.00 0.05 0.00 2.58 0.00 -2.00 -3.48 103.07 100.22 2qbh h GLY 26 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2qbh h GLY 26 CO -0.67 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 176.32 2qbh n GLY 27 N -1.32 -0.57 3.79 4.60 0.00 0.12 -5.13 105.19 106.69 2qbh n GLY 27 Ca -0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2qbh n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbh s ARG 28 N -1.56 4.41 -0.50 1.61 3.52 -1.26 0.74 118.95 125.90 2qbh s ARG 28 Ca 0.00 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 2qbh s ARG 28 Cb 0.00 -3.18 0.13 0.00 -1.56 0.00 0.00 34.95 30.34 2qbh s ARG 28 CO 0.00 0.55 0.26 0.42 -0.81 0.00 0.00 175.30 175.72 2qbh s ILE 29 N -1.22 2.85 0.99 4.11 1.01 -0.73 -4.91 121.20 123.31 2qbh s ILE 29 Ca 0.35 -2.97 -0.14 0.00 0.00 0.00 0.00 60.65 57.90 2qbh s ILE 29 Cb -0.21 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.34 2qbh s ILE 29 CO 0.23 -0.77 0.27 2.22 0.00 0.00 0.00 174.94 176.89 2qbh n PHE 30 N 3.51 -1.58 -3.39 3.97 1.16 -1.26 -1.65 117.46 118.22 2qbh n PHE 30 Ca 0.05 0.21 -0.03 0.00 -1.87 0.00 0.00 57.45 55.80 2qbh n PHE 30 Cb 0.36 -1.72 0.01 0.00 -1.61 0.00 0.00 39.48 36.52 2qbh n PHE 30 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2qbh n SER 31 N -1.20 -0.87 -3.67 5.98 2.88 -0.28 -4.81 113.62 111.63 2qbh n SER 31 Ca 0.05 -1.57 -0.11 0.00 -1.33 0.00 0.00 58.87 55.91 2qbh n SER 31 Cb 0.56 1.45 -0.09 0.00 -0.75 0.00 0.00 64.21 65.37 2qbh n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qbh s PHE 32 N -5.80 -0.75 -0.10 0.66 0.08 -1.03 -4.19 117.98 106.86 2qbh s PHE 32 Ca 0.07 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.78 2qbh s PHE 32 Cb -0.02 0.35 0.01 0.00 -0.57 0.00 0.00 43.02 42.80 2qbh s PHE 32 CO 0.04 -0.38 -0.16 0.95 -0.10 0.00 0.00 175.22 175.57 2qbh s THR 33 N 1.01 1.54 -0.09 0.64 -4.23 -0.17 -1.65 115.64 112.70 2qbh s THR 33 Ca -0.06 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 2qbh s THR 33 Cb -0.06 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2qbh s THR 33 CO -0.09 0.45 -0.20 0.00 -0.54 0.00 0.00 174.62 174.23 2qbh s ALA 34 N 0.77 1.88 -0.21 3.99 0.00 -0.65 -0.19 121.76 127.34 2qbh s ALA 34 Ca -0.11 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2qbh s ALA 34 Cb -0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2qbh s ALA 34 CO 0.02 0.24 0.07 -1.17 0.00 0.00 0.00 175.76 174.92 2qbh s LEU 35 N 0.41 3.62 -0.03 0.00 2.96 0.05 -2.54 118.68 123.16 2qbh s LEU 35 Ca -0.17 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 2qbh s LEU 35 Cb -0.17 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2qbh s LEU 35 CO 0.07 0.07 0.07 0.28 -1.32 0.00 0.00 176.35 175.52 2qbh s THR 36 N 0.97 -0.01 0.33 3.68 -1.32 -0.77 -1.19 115.64 117.33 2qbh s THR 36 Ca 0.04 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.64 2qbh s THR 36 Cb -0.14 -0.11 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 2qbh s THR 36 CO 0.03 0.02 0.33 0.68 -2.21 0.00 0.00 174.62 173.47 2qbh s VAL 37 N 0.31 3.79 -0.10 5.08 -7.23 -1.10 0.13 120.40 121.29 2qbh s VAL 37 Ca -0.02 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 2qbh s VAL 37 Cb -0.03 -3.28 0.05 0.00 0.56 0.00 0.00 36.38 33.67 2qbh s VAL 37 CO -0.01 -0.19 0.22 -0.69 -0.31 0.00 0.00 175.10 174.12 2qbh s VAL 38 N -2.25 -0.08 0.27 1.32 1.01 0.47 -2.97 120.40 118.17 2qbh s VAL 38 Ca 0.41 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.60 2qbh s VAL 38 Cb -0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 2qbh s VAL 38 CO 0.28 0.07 0.04 -0.83 0.00 0.00 0.00 175.10 174.65 2qbh s GLY 39 N 1.37 1.80 -0.02 4.51 0.00 -1.08 -0.52 107.32 113.38 2qbh s GLY 39 Ca -0.08 -1.91 0.18 0.00 0.00 0.00 0.00 44.72 42.91 2qbh s GLY 39 CO -0.08 -1.72 0.39 2.09 0.00 0.00 0.00 173.10 173.78 2qbh n ASP 40 N -0.54 0.95 0.00 1.64 5.75 -0.80 -1.19 116.55 122.37 2qbh n ASP 40 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2qbh n ASP 40 Cb 0.65 1.81 0.00 0.00 -1.03 0.00 0.00 41.12 42.55 2qbh n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbh n GLY 41 N 1.50 0.79 0.00 6.12 0.00 0.28 -3.26 105.19 110.62 2qbh n GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2qbh n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbh n ASN 42 N 0.00 1.70 0.00 1.61 2.85 -1.24 -4.44 115.26 115.73 2qbh n ASN 42 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qbh n ASN 42 Cb 0.00 0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.06 2qbh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbh n GLY 43 N 2.17 0.14 3.64 8.20 0.00 -1.19 -4.74 105.19 113.40 2qbh n GLY 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qbh n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbh s ARG 44 N 0.00 3.05 0.06 1.61 3.00 -1.26 -0.68 118.95 124.73 2qbh s ARG 44 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 55.73 55.25 2qbh s ARG 44 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 2qbh s ARG 44 CO 0.00 0.62 0.04 0.08 0.00 0.00 0.00 175.30 176.04 2qbh s VAL 45 N -0.67 0.18 0.00 3.52 1.01 -0.38 -1.90 120.40 122.16 2qbh s VAL 45 Ca 0.11 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2qbh s VAL 45 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2qbh s VAL 45 CO 0.02 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2qbh n GLY 46 N 0.25 0.37 3.92 4.51 0.00 0.32 0.73 105.19 115.29 2qbh n GLY 46 Ca -0.15 0.67 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 2qbh n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbh s PHE 47 N 0.00 3.26 -0.11 1.61 -0.71 -1.26 -0.39 117.98 120.37 2qbh s PHE 47 Ca 0.00 0.64 -0.05 0.00 -1.04 0.00 0.00 56.93 56.49 2qbh s PHE 47 Cb 0.00 -2.72 0.06 0.00 -1.21 0.00 0.00 43.02 39.14 2qbh s PHE 47 CO 0.00 -0.81 0.24 0.20 -1.34 0.00 0.00 175.22 173.51 2qbh s GLY 48 N -4.30 -0.09 -0.31 1.99 0.00 0.36 -3.64 107.32 101.32 2qbh s GLY 48 Ca 0.54 0.89 -0.06 0.00 0.00 0.00 0.00 44.72 46.09 2qbh s GLY 48 CO 0.45 1.70 0.07 -0.47 0.00 0.00 0.00 173.10 174.85 2qbh s TYR 49 N 2.05 3.19 -0.00 1.90 5.04 -1.26 -1.84 117.35 126.43 2qbh s TYR 49 Ca -0.02 -1.29 0.03 0.00 -2.44 0.00 0.00 57.07 53.35 2qbh s TYR 49 Cb -0.12 -2.23 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 2qbh s TYR 49 CO -0.08 -0.67 -0.10 0.20 -1.34 0.00 0.00 175.55 173.56 2qbh s GLY 50 N 1.42 0.50 -0.05 8.97 0.00 -1.05 -4.86 107.32 112.25 2qbh s GLY 50 Ca -0.00 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.30 2qbh s GLY 50 CO 0.01 -0.40 -0.15 -1.59 0.00 0.00 0.00 173.10 170.97 2qbh s LYS 51 N -0.34 1.72 0.11 2.90 -2.85 -1.26 -1.63 119.74 118.39 2qbh s LYS 51 Ca 0.03 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.41 2qbh s LYS 51 Cb -0.04 -1.47 -0.02 0.00 -2.06 0.00 0.00 37.83 34.23 2qbh s LYS 51 CO -0.00 0.18 0.13 0.00 0.10 0.00 0.00 175.35 175.76 2qbh s ALA 52 N 0.20 0.33 0.48 0.59 0.00 -0.66 -4.77 121.76 117.93 2qbh s ALA 52 Ca -0.07 -1.08 0.14 0.00 0.00 0.00 0.00 51.96 50.95 2qbh s ALA 52 Cb -0.12 0.66 1.14 0.00 0.00 0.00 0.00 23.12 24.79 2qbh s ALA 52 CO 0.03 -0.51 2.10 -0.09 0.00 0.00 0.00 175.76 177.29 2qbh h ARG 53 N 2.81 0.19 -5.35 0.00 2.43 -1.93 -2.97 114.38 109.57 2qbh h ARG 53 Ca -0.34 -0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.21 2qbh h ARG 53 Cb 1.19 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 2qbh h ARG 53 CO 0.57 0.13 -0.51 -1.21 -1.51 0.00 0.00 179.97 177.44 2qbh s GLU 54 N -5.22 4.00 0.25 0.20 0.41 -1.26 -4.67 118.70 112.41 2qbh s GLU 54 Ca -0.06 -0.23 -0.09 0.00 -0.41 0.00 0.00 54.97 54.18 2qbh s GLU 54 Cb 0.17 -3.33 0.40 0.00 -1.78 0.00 0.00 34.13 29.59 2qbh s GLU 54 CO 0.70 0.38 1.61 0.28 -0.49 0.00 0.00 175.26 177.74 2qbh h VAL 55 N 4.58 0.25 -0.05 2.63 2.07 -1.93 -1.98 116.25 121.82 2qbh h VAL 55 Ca -0.43 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2qbh h VAL 55 Cb 1.17 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2qbh h VAL 55 CO 0.72 0.01 -0.08 1.55 0.02 0.00 0.00 177.57 179.78 2qbh h PRO 56 N 0.04 0.15 -0.79 1.57 0.13 -1.94 -3.29 132.00 127.87 2qbh h PRO 56 Ca 0.40 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 65.55 2qbh h PRO 56 Cb 0.68 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.69 2qbh h PRO 56 CO -0.76 0.64 -0.48 0.00 -0.23 0.00 0.00 178.00 177.17 2qbh h ALA 57 N 0.50 -0.32 -0.34 -0.56 0.00 -1.74 -0.52 119.26 116.28 2qbh h ALA 57 Ca 0.01 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2qbh h ALA 57 Cb 0.63 1.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2qbh h ALA 57 CO 0.02 -0.84 -0.27 0.00 0.00 0.00 0.00 179.25 178.15 2qbh h ALA 58 N 0.70 -0.11 -0.95 0.00 0.00 -1.58 -0.66 119.26 116.67 2qbh h ALA 58 Ca 0.20 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2qbh h ALA 58 Cb 0.53 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2qbh h ALA 58 CO -0.83 -0.67 0.58 0.82 0.00 0.00 0.00 179.25 179.15 2qbh h ILE 59 N -0.23 0.91 0.47 0.00 2.04 -1.23 0.36 117.51 119.83 2qbh h ILE 59 Ca 0.17 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2qbh h ILE 59 Cb 0.50 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2qbh h ILE 59 CO -0.47 0.17 -0.23 -0.61 0.00 0.00 0.00 178.15 177.01 2qbh h GLN 60 N 0.92 -0.61 0.00 2.37 5.75 0.26 -2.10 115.11 121.70 2qbh h GLN 60 Ca 0.47 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.98 2qbh h GLN 60 Cb 0.46 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 2qbh h GLN 60 CO -0.27 -0.34 -0.16 1.57 -2.65 0.00 0.00 178.83 176.99 2qbh h LYS 61 N -0.79 0.00 -0.46 1.69 2.10 -0.96 -2.43 116.57 115.73 2qbh h LYS 61 Ca -0.07 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.51 2qbh h LYS 61 Cb 0.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 2qbh h LYS 61 CO 0.11 0.16 -0.01 0.00 -2.00 0.00 0.00 179.45 177.71 2qbh h ALA 62 N 1.84 0.61 -0.51 0.07 0.00 -0.77 -2.83 119.26 117.68 2qbh h ALA 62 Ca -0.00 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.72 2qbh h ALA 62 Cb 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 2qbh h ALA 62 CO 0.02 0.42 0.07 0.52 0.00 0.00 0.00 179.25 180.28 2qbh h MET 63 N 0.66 0.19 -0.61 0.00 2.86 -0.87 0.88 114.93 118.04 2qbh h MET 63 Ca 0.13 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 2qbh h MET 63 Cb 0.51 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 2qbh h MET 63 CO 0.03 0.12 0.20 1.49 1.06 0.00 0.00 176.91 179.81 2qbh h GLU 64 N 0.19 0.36 -0.17 1.72 4.57 -1.47 -0.69 114.58 119.09 2qbh h GLU 64 Ca 0.26 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 2qbh h GLU 64 Cb 0.37 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2qbh h GLU 64 CO -0.37 0.24 0.04 0.87 -1.18 0.00 0.00 179.01 178.61 2qbh h LYS 65 N 0.37 0.12 -0.56 1.92 1.79 -0.71 -2.46 116.57 117.03 2qbh h LYS 65 Ca 0.31 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.85 2qbh h LYS 65 Cb 0.41 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 2qbh h LYS 65 CO -0.33 0.08 0.23 0.00 -1.08 0.00 0.00 179.45 178.35 2qbh h ALA 66 N 1.11 0.72 -0.63 3.86 0.00 0.26 0.34 119.26 124.93 2qbh h ALA 66 Ca 0.07 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2qbh h ALA 66 Cb 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2qbh h ALA 66 CO -0.09 -0.16 0.42 0.00 0.00 0.00 0.00 179.25 179.42 2qbh h ARG 67 N 0.43 0.58 -7.14 0.00 3.08 -0.86 -3.40 114.38 107.07 2qbh h ARG 67 Ca 0.27 -0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.79 2qbh h ARG 67 Cb 0.29 -0.13 0.05 0.00 0.08 0.00 0.00 29.97 30.25 2qbh h ARG 67 CO -0.25 0.38 0.26 1.03 -1.07 0.00 0.00 179.97 180.32 2qbh s ARG 68 N -5.54 3.57 -1.17 0.04 1.81 0.11 -4.37 118.95 113.40 2qbh s ARG 68 Ca -0.09 0.47 -0.22 0.00 -1.72 0.00 0.00 55.73 54.18 2qbh s ARG 68 Cb 0.19 -2.23 -0.00 0.00 -0.45 0.00 0.00 34.95 32.46 2qbh s ARG 68 CO 0.76 -0.39 0.76 -1.71 -0.68 0.00 0.00 175.30 174.04 2qbh n ASN 69 N -2.50 -4.84 -1.76 0.23 5.15 -1.26 -4.82 115.26 105.46 2qbh n ASN 69 Ca 0.03 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2qbh n ASN 69 Cb 0.55 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.68 2qbh n ASN 69 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2qbh n MET 70 N -4.33 1.54 -3.57 1.20 2.81 -1.26 -4.67 117.12 108.83 2qbh n MET 70 Ca -0.11 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.62 2qbh n MET 70 Cb 0.59 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.04 2qbh n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qbh s ILE 71 N 0.64 0.02 -0.18 2.02 2.07 0.23 -4.91 121.20 121.08 2qbh s ILE 71 Ca 0.00 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 2qbh s ILE 71 Cb 0.00 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.67 2qbh s ILE 71 CO 0.00 -0.09 -0.14 0.20 -1.91 0.00 0.00 174.94 173.00 2qbh s ASN 72 N -1.53 3.62 0.10 4.50 -0.87 -1.25 -1.25 114.94 118.25 2qbh s ASN 72 Ca -0.09 -0.52 0.05 0.00 -1.57 0.00 0.00 52.86 50.73 2qbh s ASN 72 Cb -0.01 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.60 2qbh s ASN 72 CO 0.04 0.02 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.88 2qbh s VAL 73 N 1.20 3.84 -1.38 1.60 1.01 0.14 -4.95 120.40 121.87 2qbh s VAL 73 Ca 0.02 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 2qbh s VAL 73 Cb -0.14 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.51 2qbh s VAL 73 CO -0.06 0.11 2.15 0.00 0.00 0.00 0.00 175.10 177.30 2qbh n ALA 74 N 0.58 5.78 -2.22 5.51 0.00 -1.26 -4.74 120.51 124.15 2qbh n ALA 74 Ca -0.11 -4.07 -0.32 0.00 0.00 0.00 0.00 53.44 48.94 2qbh n ALA 74 Cb 0.52 -3.20 -0.04 0.00 0.00 0.00 0.00 19.45 16.73 2qbh n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbh s LEU 75 N 0.53 3.28 -0.21 0.00 1.43 -1.26 -4.18 118.68 118.27 2qbh s LEU 75 Ca 0.46 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 2qbh s LEU 75 Cb 0.13 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 2qbh s LEU 75 CO -0.04 -2.38 2.19 -3.20 0.23 0.00 0.00 176.35 173.15 2qbh n ASN 76 N 12.36 3.18 0.00 2.29 5.15 -1.18 -4.37 115.26 132.69 2qbh n ASN 76 Ca 0.40 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.69 2qbh n ASN 76 Cb 0.48 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 2qbh n ASN 76 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2qbh n ASN 77 N 10.98 0.00 -0.24 1.20 2.85 -1.26 -2.11 115.26 126.68 2qbh n ASN 77 Ca 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2qbh n ASN 77 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 2qbh n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbh n GLY 78 N 0.00 -1.27 0.00 8.20 0.00 -1.26 -5.02 105.19 105.84 2qbh n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbh n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbh n THR 79 N 0.00 0.00 -3.10 2.61 5.66 -0.90 -0.64 114.28 117.90 2qbh n THR 79 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2qbh n THR 79 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2qbh n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qbh s LEU 80 N 0.00 3.76 0.29 1.09 1.43 -1.26 -3.10 118.68 120.89 2qbh s LEU 80 Ca 0.00 0.33 0.14 0.00 -1.03 0.00 0.00 54.13 53.57 2qbh s LEU 80 Cb 0.00 -3.21 0.36 0.00 0.03 0.00 0.00 46.19 43.38 2qbh s LEU 80 CO 0.00 -0.57 1.59 -0.61 0.23 0.00 0.00 176.35 176.98 2qbh h GLN 81 N 0.51 0.00 -1.33 1.70 5.75 -1.90 -3.42 115.11 116.43 2qbh h GLN 81 Ca -0.47 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.33 2qbh h GLN 81 Cb 1.24 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 29.62 2qbh h GLN 81 CO 0.58 0.56 0.87 -3.38 -2.65 0.00 0.00 178.83 174.81 2qbh s HIS 82 N -3.38 -0.07 -0.14 3.99 -3.43 -1.26 -5.02 115.29 105.98 2qbh s HIS 82 Ca 0.00 0.03 -0.29 0.00 -0.80 0.00 0.00 55.06 54.00 2qbh s HIS 82 Cb 0.11 0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 31.72 2qbh s HIS 82 CO 0.74 -0.16 1.91 -1.25 -2.00 0.00 0.00 174.74 173.98 2qbh s PRO 83 N -2.29 3.71 0.43 -0.38 0.04 -1.26 -4.65 135.00 130.59 2qbh s PRO 83 Ca 0.11 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.30 2qbh s PRO 83 Cb 0.01 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 2qbh s PRO 83 CO -0.04 -1.43 0.28 0.14 0.04 0.00 0.00 177.00 175.99 2qbh s VAL 84 N 5.90 2.38 -0.33 -0.36 -7.23 -0.88 -4.92 120.40 114.97 2qbh s VAL 84 Ca 0.86 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 2qbh s VAL 84 Cb -0.33 -2.91 0.12 0.00 0.56 0.00 0.00 36.38 33.82 2qbh s VAL 84 CO 0.35 0.00 0.17 -0.75 -0.31 0.00 0.00 175.10 174.56 2qbh s LYS 85 N -4.04 0.46 0.37 4.82 2.20 -1.26 0.01 119.74 122.30 2qbh s LYS 85 Ca 0.43 -1.01 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 2qbh s LYS 85 Cb 0.00 -1.37 -0.05 0.00 -1.51 0.00 0.00 37.83 34.91 2qbh s LYS 85 CO 0.24 -1.11 0.66 0.20 -0.36 0.00 0.00 175.35 174.99 2qbh s GLY 86 N 1.51 1.68 0.10 5.54 0.00 -0.92 -4.88 107.32 110.36 2qbh s GLY 86 Ca 0.13 -0.54 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 2qbh s GLY 86 CO -0.18 -0.41 0.63 0.54 0.00 0.00 0.00 173.10 173.69 2qbh s VAL 87 N -2.36 0.00 -0.29 1.40 0.11 -1.25 0.98 120.40 118.99 2qbh s VAL 87 Ca 0.46 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.30 2qbh s VAL 87 Cb -0.10 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.92 2qbh s VAL 87 CO 0.35 0.00 1.21 -2.28 -3.33 0.00 0.00 175.10 171.05 2qbh s HIS 88 N -3.09 -0.25 0.00 1.54 2.46 -0.60 -4.73 115.29 110.62 2qbh s HIS 88 Ca -0.02 0.56 0.00 0.00 0.47 0.00 0.00 55.06 56.07 2qbh s HIS 88 Cb -0.01 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 2qbh s HIS 88 CO -0.07 -0.12 0.00 2.41 -2.47 0.00 0.00 174.74 174.48 2qbh n THR 89 N 2.58 0.00 -0.09 0.89 -1.04 -1.26 -1.48 114.28 113.88 2qbh n THR 89 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2qbh n THR 89 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2qbh n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbh n GLY 90 N 0.00 1.47 3.53 3.41 0.00 -1.26 -4.99 105.19 107.35 2qbh n GLY 90 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qbh n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbh s SER 91 N -0.67 6.12 -0.25 1.61 0.15 -0.55 -0.08 113.70 120.03 2qbh s SER 91 Ca 0.00 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.22 2qbh s SER 91 Cb 0.00 -2.17 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 2qbh s SER 91 CO 0.00 -0.31 -0.01 -0.13 1.20 0.00 0.00 173.24 173.99 2qbh s ARG 92 N 1.87 3.11 0.19 5.44 0.52 -0.60 -1.56 118.95 127.93 2qbh s ARG 92 Ca 0.09 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 2qbh s ARG 92 Cb -0.17 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2qbh s ARG 92 CO 0.11 -0.34 0.12 0.08 0.02 0.00 0.00 175.30 175.29 2qbh s VAL 93 N 1.44 4.29 -0.31 3.52 1.01 0.28 -0.82 120.40 129.79 2qbh s VAL 93 Ca 0.03 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 2qbh s VAL 93 Cb -0.16 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.10 2qbh s VAL 93 CO -0.02 -0.18 0.11 0.12 0.00 0.00 0.00 175.10 175.13 2qbh s PHE 94 N -1.87 1.63 0.45 5.22 2.19 -1.19 -2.16 117.98 122.26 2qbh s PHE 94 Ca 0.31 -1.72 -0.09 0.00 0.33 0.00 0.00 56.93 55.76 2qbh s PHE 94 Cb -0.09 -1.67 -0.05 0.00 -1.31 0.00 0.00 43.02 39.90 2qbh s PHE 94 CO 0.23 -0.87 0.80 1.41 1.83 0.00 0.00 175.22 178.62 2qbh s MET 95 N 1.58 3.69 -0.29 10.12 1.75 0.10 -2.09 119.30 134.17 2qbh s MET 95 Ca 0.10 0.41 -0.18 0.00 -1.25 0.00 0.00 55.69 54.78 2qbh s MET 95 Cb -0.18 -2.35 0.14 0.00 2.84 0.00 0.00 34.83 35.29 2qbh s MET 95 CO -0.25 -0.14 1.00 -1.14 -0.65 0.00 0.00 175.02 173.84 2qbh s GLN 96 N -4.27 0.39 0.16 4.11 0.74 -1.26 -2.07 119.66 117.47 2qbh s GLN 96 Ca 0.50 0.63 -0.31 0.00 0.05 0.00 0.00 55.36 56.23 2qbh s GLN 96 Cb -0.10 0.10 -0.09 0.00 1.10 0.00 0.00 33.01 34.02 2qbh s GLN 96 CO 0.38 -0.07 1.48 -1.25 -0.55 0.00 0.00 175.29 175.28 2qbh s PRO 97 N 1.12 4.26 0.00 1.67 0.04 -1.26 -2.04 135.00 138.79 2qbh s PRO 97 Ca -0.07 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2qbh s PRO 97 Cb -0.04 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2qbh s PRO 97 CO -0.13 -0.51 0.00 0.00 0.04 0.00 0.00 177.00 176.39 2qbh n ALA 98 N 3.68 0.00 -2.16 8.56 0.00 -0.77 -4.80 120.51 125.01 2qbh n ALA 98 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 2qbh n ALA 98 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 2qbh n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qbh s SER 99 N -0.99 6.06 0.00 0.00 0.15 -1.26 -4.88 113.70 112.78 2qbh s SER 99 Ca 0.00 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2qbh s SER 99 Cb 0.00 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2qbh s SER 99 CO 0.00 -0.76 0.42 -0.62 1.20 0.00 0.00 173.24 173.48 2qbh n GLU 100 N -2.42 0.45 0.00 5.44 1.02 -1.26 -2.37 120.64 121.50 2qbh n GLU 100 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2qbh n GLU 100 Cb 0.56 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2qbh n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbh n GLY 101 N 0.72 0.02 0.30 0.62 0.00 -1.26 -4.94 105.19 100.65 2qbh n GLY 101 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2qbh n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbh h THR 102 N 0.00 0.78 0.00 2.61 2.02 -1.84 -3.48 112.91 113.00 2qbh h THR 102 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2qbh h THR 102 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2qbh h THR 102 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2qbh n GLY 103 N -1.32 -1.80 3.85 2.16 0.00 -1.25 -4.93 105.19 101.89 2qbh n GLY 103 Ca 0.15 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 2qbh n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbh s ILE 104 N 0.00 5.28 -0.34 -0.61 2.07 -0.92 -1.38 121.20 125.32 2qbh s ILE 104 Ca 0.00 0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 2qbh s ILE 104 Cb 0.00 -3.55 0.14 0.00 0.13 0.00 0.00 42.46 39.17 2qbh s ILE 104 CO 0.00 0.58 0.27 -0.63 -1.91 0.00 0.00 174.94 173.25 2qbh s ILE 105 N -0.92 -0.15 0.16 2.00 1.01 -0.50 -4.95 121.20 117.86 2qbh s ILE 105 Ca 0.19 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 2qbh s ILE 105 Cb -0.14 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.42 2qbh s ILE 105 CO 0.08 -0.72 0.39 0.00 0.00 0.00 0.00 174.94 174.69 2qbh s ALA 106 N 1.61 -0.56 0.00 9.38 0.00 -1.26 -2.47 121.76 128.45 2qbh s ALA 106 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2qbh s ALA 106 Cb -0.18 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2qbh s ALA 106 CO -0.13 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2qbh n GLY 107 N -0.25 -0.52 0.00 0.00 0.00 -1.26 -4.61 105.19 98.55 2qbh n GLY 107 Ca -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2qbh n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbh n GLY 108 N 3.44 -2.51 0.42 -0.02 0.00 -1.26 -3.66 105.19 101.60 2qbh n GLY 108 Ca 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.10 2qbh n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbh h ALA 109 N -2.10 2.24 -0.87 4.61 0.00 -1.93 -2.06 119.26 119.16 2qbh h ALA 109 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.09 2qbh h ALA 109 Cb 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.67 2qbh h ALA 109 CO 0.00 -0.92 -0.08 0.52 0.00 0.00 0.00 179.25 178.76 2qbh h MET 110 N 0.00 0.03 0.21 0.00 2.07 -1.92 -1.96 114.93 113.37 2qbh h MET 110 Ca 0.24 -0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.55 2qbh h MET 110 Cb 1.56 -0.01 0.03 0.00 -1.87 0.00 0.00 31.60 31.31 2qbh h MET 110 CO -0.00 0.02 -1.47 0.07 1.07 0.00 0.00 176.91 176.60 2qbh h ARG 111 N 0.04 0.45 -1.00 1.72 0.11 -1.44 -3.33 114.38 110.93 2qbh h ARG 111 Ca 0.46 -0.77 0.24 0.00 0.10 0.00 0.00 59.98 60.01 2qbh h ARG 111 Cb 0.82 0.29 -0.19 0.00 1.11 0.00 0.00 29.97 32.00 2qbh h ARG 111 CO -0.83 1.37 -0.10 0.00 0.10 0.00 0.00 179.97 180.51 2qbh h ALA 112 N 0.11 0.94 -0.11 0.08 0.00 -1.43 0.48 119.26 119.33 2qbh h ALA 112 Ca -0.27 0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2qbh h ALA 112 Cb 2.06 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 20.52 2qbh h ALA 112 CO 0.22 -0.49 -0.64 -0.39 0.00 0.00 0.00 179.25 177.95 2qbh h VAL 113 N 0.00 1.36 -0.22 0.00 -1.51 -1.68 -3.19 116.25 111.02 2qbh h VAL 113 Ca 0.55 -1.98 -0.13 0.00 -1.23 0.00 0.00 66.70 63.91 2qbh h VAL 113 Cb 1.02 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 2qbh h VAL 113 CO -0.98 0.60 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.47 2qbh h LEU 114 N 0.31 0.56 -0.23 4.19 3.38 -0.34 -0.31 115.31 122.88 2qbh h LEU 114 Ca -0.01 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2qbh h LEU 114 Cb 1.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2qbh h LEU 114 CO 0.11 0.91 0.10 -0.08 0.09 0.00 0.00 178.44 179.57 2qbh h GLU 115 N 0.43 0.22 0.05 1.13 4.81 -0.61 -1.35 114.58 119.25 2qbh h GLU 115 Ca 0.04 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 2qbh h GLU 115 Cb 0.91 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2qbh h GLU 115 CO 0.08 0.14 -1.21 -0.39 -0.73 0.00 0.00 179.01 176.90 2qbh h VAL 116 N 0.22 1.49 -0.04 0.32 -1.51 -1.56 -3.27 116.25 111.90 2qbh h VAL 116 Ca 0.09 -3.18 0.01 0.00 -1.23 0.00 0.00 66.70 62.40 2qbh h VAL 116 Cb 0.03 2.81 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 2qbh h VAL 116 CO -0.07 0.88 0.07 0.00 -1.23 0.00 0.00 177.57 177.22 2qbh h ALA 117 N 0.83 1.43 0.00 5.19 0.00 -0.95 0.89 119.26 126.65 2qbh h ALA 117 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qbh h ALA 117 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2qbh h ALA 117 CO 0.15 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2qbh n GLY 118 N -1.27 0.70 3.75 0.00 0.00 -1.09 -3.15 105.19 104.14 2qbh n GLY 118 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2qbh n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbh s VAL 119 N -2.00 3.52 0.00 1.61 1.01 -0.53 -4.83 120.40 119.17 2qbh s VAL 119 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2qbh s VAL 119 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2qbh s VAL 119 CO 0.00 0.26 0.00 1.41 0.00 0.00 0.00 175.10 176.77 2qbh n HIS 120 N 2.01 0.00 -3.60 5.22 -0.00 0.18 -4.34 115.22 114.69 2qbh n HIS 120 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.45 2qbh n HIS 120 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.31 2qbh n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qbh s ASN 121 N -1.40 3.31 -0.06 0.41 0.01 -1.00 -2.15 114.94 114.05 2qbh s ASN 121 Ca 0.00 -2.47 -0.10 0.00 -0.71 0.00 0.00 52.86 49.58 2qbh s ASN 121 Cb 0.00 -0.76 0.02 0.00 0.41 0.00 0.00 41.25 40.92 2qbh s ASN 121 CO 0.00 -0.28 0.25 0.68 -1.51 0.00 0.00 177.10 176.24 2qbh s VAL 122 N 0.62 0.03 -0.71 1.60 -7.23 -0.48 -1.85 120.40 112.38 2qbh s VAL 122 Ca 0.18 -0.23 0.04 0.00 -1.81 0.00 0.00 61.98 60.17 2qbh s VAL 122 Cb -0.23 -0.43 0.23 0.00 0.56 0.00 0.00 36.38 36.51 2qbh s VAL 122 CO -0.00 -0.13 0.73 0.00 -0.31 0.00 0.00 175.10 175.39 2qbh n LEU 123 N 2.31 3.78 -4.84 1.32 -0.00 -0.86 -1.41 117.00 117.29 2qbh n LEU 123 Ca -0.16 -5.34 -0.37 0.00 -0.00 0.00 0.00 56.01 50.13 2qbh n LEU 123 Cb 0.57 -0.77 -0.06 0.00 -0.00 0.00 0.00 43.42 43.16 2qbh n LEU 123 CO 0.19 1.90 0.09 0.00 -0.00 0.00 0.00 177.39 179.58 2qbh s ALA 124 N -2.12 3.71 -0.26 1.47 0.00 -1.03 -4.40 121.76 119.12 2qbh s ALA 124 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2qbh s ALA 124 Cb 0.07 -2.35 0.08 0.00 0.00 0.00 0.00 23.12 20.92 2qbh s ALA 124 CO -0.06 0.50 0.06 0.21 0.00 0.00 0.00 175.76 176.47 2qbh s LYS 125 N -1.26 0.81 0.12 0.00 2.47 -0.89 -4.30 119.74 116.70 2qbh s LYS 125 Ca 0.25 -0.86 -0.08 0.00 -1.56 0.00 0.00 55.97 53.72 2qbh s LYS 125 Cb -0.16 -2.11 -0.06 0.00 -1.46 0.00 0.00 37.83 34.05 2qbh s LYS 125 CO 0.14 -0.83 0.41 0.00 0.16 0.00 0.00 175.35 175.23 2qbh s ALA 126 N 1.66 3.72 0.08 3.13 0.00 -1.26 -3.18 121.76 125.91 2qbh s ALA 126 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2qbh s ALA 126 Cb -0.17 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 2qbh s ALA 126 CO -0.17 0.59 0.11 2.48 0.00 0.00 0.00 175.76 178.76 2qbh n TYR 127 N 0.53 -0.56 0.00 0.00 -0.00 -0.01 -4.98 117.16 112.15 2qbh n TYR 127 Ca -0.05 -0.60 0.00 0.00 -0.00 0.00 0.00 57.90 57.25 2qbh n TYR 127 Cb 0.52 0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.98 2qbh n TYR 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qbh n GLY 128 N -0.14 1.60 3.89 -7.48 0.00 -1.26 -1.56 105.19 100.23 2qbh n GLY 128 Ca 0.01 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2qbh n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbh s SER 129 N -4.00 6.43 0.00 1.61 0.15 0.88 -4.95 113.70 113.82 2qbh s SER 129 Ca 0.00 0.47 0.08 0.00 0.70 0.00 0.00 55.95 57.20 2qbh s SER 129 Cb 0.00 -2.06 0.19 0.00 -1.71 0.00 0.00 66.02 62.44 2qbh s SER 129 CO 0.00 0.31 1.10 0.35 1.20 0.00 0.00 173.24 176.20 2qbh n THR 130 N 1.38 0.81 -1.73 6.45 -2.24 -1.26 -4.45 114.28 113.24 2qbh n THR 130 Ca -0.14 -0.90 -0.42 0.00 -2.27 0.00 0.00 64.05 60.31 2qbh n THR 130 Cb 0.53 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 2qbh n THR 130 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qbh s ASN 131 N -0.94 6.44 0.11 3.42 2.47 -1.26 -4.85 114.94 120.33 2qbh s ASN 131 Ca 0.15 2.73 -0.26 0.00 0.42 0.00 0.00 52.86 55.90 2qbh s ASN 131 Cb 0.08 -2.56 -0.08 0.00 -1.45 0.00 0.00 41.25 37.24 2qbh s ASN 131 CO 0.11 -1.00 1.65 1.55 -3.72 0.00 0.00 177.10 175.69 2qbh h PRO 132 N 8.69 -0.38 -1.45 0.43 0.13 -1.98 0.12 132.00 137.55 2qbh h PRO 132 Ca -0.46 0.03 0.43 0.00 -0.87 0.00 0.00 66.00 65.13 2qbh h PRO 132 Cb 1.22 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 2qbh h PRO 132 CO 0.95 -0.25 1.02 0.82 -0.23 0.00 0.00 178.00 180.30 2qbh h ILE 133 N -0.40 0.23 0.00 -3.56 2.04 -1.99 -2.18 117.51 111.65 2qbh h ILE 133 Ca 0.04 -0.02 -0.42 0.00 1.00 0.00 0.00 64.86 65.46 2qbh h ILE 133 Cb 0.43 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2qbh h ILE 133 CO -0.15 0.01 -2.50 0.59 0.00 0.00 0.00 178.15 176.11 2qbh n ASN 134 N -4.25 1.97 -0.11 1.72 3.02 -0.93 -4.24 115.26 112.44 2qbh n ASN 134 Ca 0.34 0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.85 2qbh n ASN 134 Cb 1.50 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 40.07 2qbh n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qbh h VAL 135 N -0.37 0.17 -0.56 2.41 2.07 -0.19 0.56 116.25 120.33 2qbh h VAL 135 Ca -0.62 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.01 2qbh h VAL 135 Cb 1.79 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.64 2qbh h VAL 135 CO -0.21 0.00 -0.02 1.62 0.02 0.00 0.00 177.57 178.97 2qbh h VAL 136 N -0.31 0.52 -0.21 2.57 3.04 -1.67 0.41 116.25 120.62 2qbh h VAL 136 Ca 0.15 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.80 2qbh h VAL 136 Cb 0.57 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 2qbh h VAL 136 CO -0.54 0.02 0.11 -0.09 -1.01 0.00 0.00 177.57 176.06 2qbh h ARG 137 N 0.10 0.29 -0.91 4.17 2.43 -1.44 0.44 114.38 119.45 2qbh h ARG 137 Ca 0.29 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 2qbh h ARG 137 Cb 0.45 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 2qbh h ARG 137 CO -0.50 0.28 0.59 0.00 -1.51 0.00 0.00 179.97 178.83 2qbh h ALA 138 N 1.00 1.21 0.07 2.80 0.00 0.01 -1.39 119.26 122.96 2qbh h ALA 138 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qbh h ALA 138 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qbh h ALA 138 CO -0.01 0.46 -0.09 1.15 0.00 0.00 0.00 179.25 180.76 2qbh h THR 139 N 1.15 0.80 0.12 0.00 2.02 0.38 -2.14 112.91 115.25 2qbh h THR 139 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2qbh h THR 139 Cb 0.00 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2qbh h THR 139 CO -0.12 0.00 -0.30 0.40 0.37 0.00 0.00 175.52 175.87 2qbh h ILE 140 N -0.19 0.00 -1.18 3.11 2.04 -0.23 -1.42 117.51 119.63 2qbh h ILE 140 Ca 0.01 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.25 2qbh h ILE 140 Cb 0.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.14 2qbh h ILE 140 CO -0.04 0.00 0.74 -0.78 0.00 0.00 0.00 178.15 178.08 2qbh h ASP 141 N -0.47 0.34 0.27 1.72 1.82 -1.24 -0.93 116.42 117.93 2qbh h ASP 141 Ca -0.01 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2qbh h ASP 141 Cb 0.45 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 2qbh h ASP 141 CO -0.13 -0.14 -0.18 1.23 -1.61 0.00 0.00 179.24 178.41 2qbh h GLY 142 N 0.18 -0.71 -0.27 -0.78 0.00 -0.57 -1.52 103.07 99.41 2qbh h GLY 142 Ca 0.76 0.30 0.25 0.00 0.00 0.00 0.00 47.33 48.65 2qbh h GLY 142 CO -0.45 -0.25 0.50 1.41 0.00 0.00 0.00 176.54 177.75 2qbh h LEU 143 N -0.42 0.48 -2.16 3.11 3.38 -0.86 0.54 115.31 119.39 2qbh h LEU 143 Ca -0.04 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qbh h LEU 143 Cb 0.34 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qbh h LEU 143 CO 0.03 -0.00 -0.06 -0.08 0.09 0.00 0.00 178.44 178.41 2qbh h GLU 144 N 0.44 0.00 0.07 1.13 4.81 -0.98 -3.02 114.58 117.03 2qbh h GLU 144 Ca 0.63 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.64 2qbh h GLU 144 Cb 1.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.67 2qbh h GLU 144 CO -0.54 0.06 -0.91 -0.97 -0.73 0.00 0.00 179.01 175.93 2qbh h ASN 145 N 0.00 0.67 -2.61 1.04 -1.24 0.11 -3.46 115.58 110.10 2qbh h ASN 145 Ca -0.00 -0.82 -0.60 0.00 0.71 0.00 0.00 56.30 55.59 2qbh h ASN 145 Cb 0.24 -0.21 0.09 0.00 0.73 0.00 0.00 38.32 39.17 2qbh h ASN 145 CO 0.01 1.42 0.40 1.15 -1.29 0.00 0.00 177.43 179.13 2qbh n MET 146 N -4.02 1.72 -4.48 6.67 0.00 -1.14 -4.99 117.12 110.87 2qbh n MET 146 Ca -0.12 0.61 -0.31 0.00 0.00 0.00 0.00 57.70 57.87 2qbh n MET 146 Cb 0.83 -2.15 -0.11 0.00 0.00 0.00 0.00 33.22 31.79 2qbh n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qbh s ASN 147 N -0.10 4.19 0.64 3.17 2.20 -1.26 -4.73 114.94 119.06 2qbh s ASN 147 Ca 0.64 -0.34 -0.12 0.00 -0.94 0.00 0.00 52.86 52.11 2qbh s ASN 147 Cb -0.68 -0.80 -0.02 0.00 -2.00 0.00 0.00 41.25 37.74 2qbh s ASN 147 CO 0.55 0.24 1.04 -0.94 -2.94 0.00 0.00 177.10 175.06 2qbh s SER 148 N -1.64 5.82 0.12 3.54 1.04 -1.26 -4.85 113.70 116.48 2qbh s SER 148 Ca 0.17 1.56 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 2qbh s SER 148 Cb -0.11 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 2qbh s SER 148 CO 0.08 -1.15 1.78 1.55 0.98 0.00 0.00 173.24 176.48 2qbh h PRO 149 N -0.34 0.29 -0.44 4.02 0.13 -1.97 -0.20 132.00 133.49 2qbh h PRO 149 Ca -0.44 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 2qbh h PRO 149 Cb 1.20 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2qbh h PRO 149 CO 0.59 0.19 0.33 1.05 -0.23 0.00 0.00 178.00 179.93 2qbh h GLU 150 N 0.30 0.00 -0.01 0.86 9.09 -1.97 0.31 114.58 123.15 2qbh h GLU 150 Ca 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.45 2qbh h GLU 150 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2qbh h GLU 150 CO -0.02 0.00 -0.16 1.98 0.05 0.00 0.00 179.01 180.87 2qbh h MET 151 N 0.00 0.13 -0.62 1.06 4.05 -1.61 -2.02 114.93 115.92 2qbh h MET 151 Ca 0.21 -0.12 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 2qbh h MET 151 Cb 0.86 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 2qbh h MET 151 CO -0.00 0.84 0.41 0.28 0.23 0.00 0.00 176.91 178.66 2qbh h VAL 152 N -0.54 1.08 0.00 -5.77 2.07 0.55 0.36 116.25 114.01 2qbh h VAL 152 Ca -0.02 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qbh h VAL 152 Cb 0.88 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2qbh h VAL 152 CO 0.03 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2qbh n ALA 153 N -2.46 2.20 -0.00 1.67 0.00 0.92 -3.03 120.51 119.82 2qbh n ALA 153 Ca 0.07 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2qbh n ALA 153 Cb 0.13 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 2qbh n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbh h ALA 154 N 2.79 0.12 0.00 0.00 0.00 0.43 -3.37 119.26 119.23 2qbh h ALA 154 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 54.91 53.95 2qbh h ALA 154 Cb 0.52 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2qbh h ALA 154 CO 0.00 0.67 -0.14 0.87 0.00 0.00 0.00 179.25 180.65 2qbh h LYS 155 N -0.44 -0.23 -6.38 0.00 1.57 -1.15 -3.42 116.57 106.52 2qbh h LYS 155 Ca -0.25 0.02 -0.44 0.00 -1.87 0.00 0.00 60.65 58.11 2qbh h LYS 155 Cb 1.63 0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.00 2qbh h LYS 155 CO 0.04 -0.15 -0.29 -0.98 -0.57 0.00 0.00 179.45 177.50 2qbh s ARG 156 N -6.14 2.82 1.47 3.15 1.70 -1.17 -4.81 118.95 115.97 2qbh s ARG 156 Ca -0.14 -1.26 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 2qbh s ARG 156 Cb 0.08 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.76 2qbh s ARG 156 CO 0.66 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 175.09 2qbh n GLY 157 N -1.77 1.42 3.66 3.88 0.00 -1.26 -4.72 105.19 106.40 2qbh n GLY 157 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2qbh n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60