#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc n GLN 2 N 0.00 0.00 -1.79 2.12 6.02 -1.26 -0.41 117.38 122.06 2qbc n GLN 2 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2qbc n GLN 2 Cb 0.00 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.28 2qbc n GLN 2 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2qbc n VAL 3 N -1.51 -4.91 -2.40 5.09 0.24 -1.26 -4.05 118.33 109.53 2qbc n VAL 3 Ca 0.00 2.27 -0.37 0.00 -2.04 0.00 0.00 64.34 64.20 2qbc n VAL 3 Cb 0.00 -2.99 -0.02 0.00 -1.47 0.00 0.00 33.84 29.35 2qbc n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qbc s ILE 4 N -2.41 3.40 0.00 1.34 1.09 -0.10 -3.18 121.20 121.35 2qbc s ILE 4 Ca 0.00 1.07 0.00 0.00 -1.10 0.00 0.00 60.65 60.62 2qbc s ILE 4 Cb 0.00 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 2qbc s ILE 4 CO 0.00 0.00 0.00 0.18 -0.10 0.00 0.00 174.94 175.02 2qbc n LEU 5 N -0.25 0.00 0.00 2.97 4.77 0.15 -0.74 117.00 123.90 2qbc n LEU 5 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2qbc n LEU 5 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2qbc n LEU 5 CO 0.47 -0.60 0.00 -0.11 -1.33 0.00 0.00 177.39 175.81 2qbc n LEU 6 N 0.00 0.00 0.00 2.23 0.00 -1.03 -3.97 117.00 114.23 2qbc n LEU 6 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 56.01 55.95 2qbc n LEU 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2qbc n LEU 6 CO 0.00 0.18 0.00 -0.67 0.00 0.00 0.00 177.39 176.90 2qbc n ASP 7 N 0.00 0.98 0.00 1.96 2.03 -1.26 -4.77 116.55 115.49 2qbc n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qbc n ASP 7 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2qbc n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qbc n LYS 8 N 0.00 0.00 -1.97 -0.67 4.81 -1.26 -1.50 118.16 117.57 2qbc n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qbc n LYS 8 Cb 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 34.50 2qbc n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbc n VAL 9 N -0.05-12.12 0.00 3.15 0.31 -1.26 -2.87 118.33 105.49 2qbc n VAL 9 Ca 0.00 3.21 0.00 0.00 -0.01 0.00 0.00 64.34 67.54 2qbc n VAL 9 Cb 0.00 -5.13 0.00 0.00 -0.91 0.00 0.00 33.84 27.80 2qbc n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbc n ALA 10 N 1.64 0.00 0.03 3.52 0.00 -1.26 -2.01 120.51 122.42 2qbc n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbc n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbc n ASN 11 N 0.00 0.08 -1.04 0.00 4.13 -1.26 -1.77 115.26 115.39 2qbc n ASN 11 Ca 0.00 -0.06 -0.03 0.00 1.68 0.00 0.00 54.58 56.17 2qbc n ASN 11 Cb 0.00 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.21 2qbc n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbc n LEU 12 N 0.93 -0.55 -4.53 3.41 -0.00 -1.26 -5.15 117.00 109.85 2qbc n LEU 12 Ca 0.00 -1.24 -0.25 0.00 -0.00 0.00 0.00 56.01 54.53 2qbc n LEU 12 Cb 0.01 0.12 -0.11 0.00 -0.00 0.00 0.00 43.42 43.45 2qbc n LEU 12 CO 0.00 1.07 -0.32 -0.83 -0.00 0.00 0.00 177.39 177.31 2qbc s GLY 13 N -0.51 2.21 0.00 1.47 0.00 -0.73 -4.93 107.32 104.83 2qbc s GLY 13 Ca 0.01 -2.13 0.00 0.00 0.00 0.00 0.00 44.72 42.60 2qbc s GLY 13 CO -0.01 -1.97 0.00 -1.26 0.00 0.00 0.00 173.10 169.85 2qbc n SER 14 N -0.79 0.00 -2.13 1.64 2.88 -1.14 -4.94 113.62 109.14 2qbc n SER 14 Ca -0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.48 2qbc n SER 14 Cb 0.65 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 2qbc n SER 14 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qbc n LEU 15 N 0.00 -5.55 -2.23 2.46 -0.00 -0.56 -4.79 117.00 106.32 2qbc n LEU 15 Ca 0.00 2.14 -0.05 0.00 -0.00 0.00 0.00 56.01 58.10 2qbc n LEU 15 Cb 0.00 -2.77 0.02 0.00 -0.00 0.00 0.00 43.42 40.67 2qbc n LEU 15 CO 0.00 -2.52 0.05 0.61 -0.00 0.00 0.00 177.39 175.53 2qbc n GLY 16 N 1.41 -0.16 3.15 -3.96 0.00 -1.25 -4.85 105.19 99.53 2qbc n GLY 16 Ca -0.08 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2qbc n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbc s ASP 17 N -2.98 -0.04 -0.69 1.61 1.11 -1.26 -4.84 116.67 109.57 2qbc s ASP 17 Ca 0.15 0.79 -0.26 0.00 0.18 0.00 0.00 52.55 53.40 2qbc s ASP 17 Cb -0.02 0.95 0.04 0.00 1.07 0.00 0.00 42.92 44.96 2qbc s ASP 17 CO 0.32 -0.23 1.20 -1.58 1.18 0.00 0.00 175.17 176.06 2qbc s GLN 18 N 2.29 3.23 -0.07 8.23 0.74 -1.26 0.33 119.66 133.15 2qbc s GLN 18 Ca -0.02 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.16 2qbc s GLN 18 Cb -0.11 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.84 2qbc s GLN 18 CO -0.11 -1.99 -0.18 0.14 -0.55 0.00 0.00 175.29 172.61 2qbc s VAL 19 N 5.24 1.53 -0.02 1.34 -7.23 -1.19 -4.94 120.40 115.14 2qbc s VAL 19 Ca 0.34 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 2qbc s VAL 19 Cb -0.10 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 2qbc s VAL 19 CO 0.16 0.44 1.47 0.21 -0.31 0.00 0.00 175.10 177.07 2qbc s ASN 20 N 0.39 6.79 0.21 4.85 3.84 -1.26 -4.27 114.94 125.49 2qbc s ASN 20 Ca -0.13 2.14 0.01 0.00 0.21 0.00 0.00 52.86 55.09 2qbc s ASN 20 Cb -0.15 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 37.94 2qbc s ASN 20 CO 0.05 -0.78 0.07 0.54 -2.79 0.00 0.00 177.10 174.19 2qbc s VAL 21 N 2.84 0.47 0.25 -5.21 0.11 0.45 -4.90 120.40 114.43 2qbc s VAL 21 Ca 0.66 -1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 2qbc s VAL 21 Cb -0.32 -2.41 -0.10 0.00 -1.53 0.00 0.00 36.38 32.03 2qbc s VAL 21 CO 0.27 -0.18 1.36 -0.54 -3.33 0.00 0.00 175.10 172.67 2qbc s LYS 22 N -4.02 4.33 0.61 1.54 1.02 -1.26 -4.06 119.74 117.90 2qbc s LYS 22 Ca 0.33 2.19 0.41 0.00 0.02 0.00 0.00 55.97 58.91 2qbc s LYS 22 Cb 0.07 -3.13 2.21 0.00 -0.52 0.00 0.00 37.83 36.46 2qbc s LYS 22 CO 0.09 -0.30 2.25 0.00 -0.92 0.00 0.00 175.35 176.48 2qbc h ALA 23 N 4.75 1.00 0.00 5.17 0.00 -1.89 0.23 119.26 128.53 2qbc h ALA 23 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2qbc h ALA 23 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2qbc h ALA 23 CO 0.75 0.00 -0.46 0.78 0.00 0.00 0.00 179.25 180.31 2qbc h GLY 24 N 0.05 0.00 1.58 0.00 0.00 -1.97 -3.10 103.07 99.63 2qbc h GLY 24 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2qbc h GLY 24 CO 0.00 0.00 -0.97 -1.82 0.00 0.00 0.00 176.54 173.75 2qbc h TYR 25 N 0.00 0.56 -2.71 5.60 5.03 -0.92 -3.40 116.97 121.12 2qbc h TYR 25 Ca -0.00 -0.31 -0.45 0.00 2.58 0.00 0.00 58.73 60.55 2qbc h TYR 25 Cb 1.34 -0.06 0.06 0.00 1.55 0.00 0.00 36.73 39.62 2qbc h TYR 25 CO 0.00 1.14 0.04 0.00 -1.32 0.00 0.00 178.16 178.02 2qbc s ALA 26 N -3.19 3.71 -0.99 1.82 0.00 -0.93 0.04 121.76 122.21 2qbc s ALA 26 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2qbc s ALA 26 Cb 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2qbc s ALA 26 CO 0.86 -0.98 0.00 0.54 0.00 0.00 0.00 175.76 176.18 2qbc n ARG 27 N -2.54 -1.69 0.00 0.00 5.12 -1.26 -4.34 116.66 111.94 2qbc n ARG 27 Ca 0.09 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 2qbc n ARG 27 Cb 0.60 -4.90 0.00 0.00 -1.16 0.00 0.00 32.46 27.00 2qbc n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qbc n ASN 28 N -0.80 0.00 0.12 0.55 5.03 -1.26 -4.90 115.26 114.00 2qbc n ASN 28 Ca -0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.34 2qbc n ASN 28 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 2qbc n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qbc n PHE 29 N 0.00 -3.37 0.11 3.10 7.35 -0.93 -4.92 117.46 118.81 2qbc n PHE 29 Ca 0.00 0.81 0.07 0.00 -0.76 0.00 0.00 57.45 57.56 2qbc n PHE 29 Cb 0.00 2.21 0.35 0.00 0.35 0.00 0.00 39.48 42.39 2qbc n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2qbc n LEU 30 N -3.04 0.33 0.00 -2.13 4.77 0.11 -4.44 117.00 112.59 2qbc n LEU 30 Ca 0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 2qbc n LEU 30 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2qbc n LEU 30 CO 0.00 -0.73 0.00 0.52 -1.33 0.00 0.00 177.39 175.85 2qbc n VAL 31 N -1.95 0.00 0.00 4.08 0.31 -1.26 -0.48 118.33 119.03 2qbc n VAL 31 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2qbc n VAL 31 Cb 0.10 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 2qbc n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qbc n PRO 32 N 0.00 0.00 0.00 5.55 -0.02 -1.26 -1.68 135.00 137.59 2qbc n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qbc n PRO 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qbc n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qbc n GLN 33 N 0.00 0.00 0.00 -0.52 7.27 -1.26 -4.65 117.38 118.22 2qbc n GLN 33 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2qbc n GLN 33 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2qbc n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qbc n GLY 34 N 0.00 0.75 0.00 1.69 0.00 -0.68 -5.09 105.19 101.87 2qbc n GLY 34 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2qbc n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 35 N 0.00 0.00 -3.77 1.61 4.76 -1.16 -4.89 118.16 114.70 2qbc n LYS 35 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2qbc n LYS 35 Cb 0.00 -0.03 -0.00 0.00 -1.84 0.00 0.00 35.03 33.16 2qbc n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbc s ALA 36 N 0.00 -1.73 -0.13 7.82 0.00 0.36 -2.46 121.76 125.62 2qbc s ALA 36 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 2qbc s ALA 36 Cb 0.00 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.80 2qbc s ALA 36 CO 0.00 -1.05 0.32 0.54 0.00 0.00 0.00 175.76 175.57 2qbc s VAL 37 N -2.83 -0.02 0.18 0.00 0.11 0.08 -4.72 120.40 113.20 2qbc s VAL 37 Ca 0.15 0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.98 2qbc s VAL 37 Cb -0.01 -0.48 -0.16 0.00 -1.53 0.00 0.00 36.38 34.20 2qbc s VAL 37 CO 0.02 0.04 0.96 -2.65 -3.33 0.00 0.00 175.10 170.14 2qbc n PRO 38 N 3.87 0.78 -2.00 1.54 -0.02 -1.26 -0.92 135.00 136.99 2qbc n PRO 38 Ca -0.21 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2qbc n PRO 38 Cb 0.55 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2qbc n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbc n ALA 39 N 0.85 6.14 -0.78 3.55 0.00 -1.26 -4.54 120.51 124.47 2qbc n ALA 39 Ca 0.15 -4.08 -0.20 0.00 0.00 0.00 0.00 53.44 49.31 2qbc n ALA 39 Cb 0.24 -3.05 0.11 0.00 0.00 0.00 0.00 19.45 16.76 2qbc n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbc n THR 40 N 3.11 2.80 0.00 0.00 -2.24 -1.26 -4.82 114.28 111.87 2qbc n THR 40 Ca 0.54 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 2qbc n THR 40 Cb 0.31 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2qbc n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbc n LYS 41 N -0.60 0.00 -0.25 -0.78 4.76 -1.26 -4.23 118.16 115.79 2qbc n LYS 41 Ca 0.45 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.94 2qbc n LYS 41 Cb 1.16 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 34.53 2qbc n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2qbc h LYS 42 N 0.00 0.44 -0.05 1.97 3.64 -1.94 -0.77 116.57 119.86 2qbc h LYS 42 Ca 0.00 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 2qbc h LYS 42 Cb 0.00 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2qbc h LYS 42 CO 0.00 0.29 -0.74 -0.91 -2.27 0.00 0.00 179.45 175.82 2qbc h ASN 43 N 0.46 0.74 0.09 4.20 2.35 -1.84 -3.01 115.58 118.56 2qbc h ASN 43 Ca 0.40 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2qbc h ASN 43 Cb 0.58 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2qbc h ASN 43 CO -0.38 1.34 0.00 0.16 -1.65 0.00 0.00 177.43 176.89 2qbc h ILE 44 N 0.20 0.00 0.00 2.81 3.07 -1.64 -3.03 117.51 118.92 2qbc h ILE 44 Ca -0.08 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.30 2qbc h ILE 44 Cb 1.41 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2qbc h ILE 44 CO 0.15 0.00 0.00 1.21 -1.05 0.00 0.00 178.15 178.46 2qbc n GLU 45 N -2.39 0.00 -0.37 0.16 2.13 -0.35 -0.02 120.64 119.80 2qbc n GLU 45 Ca -0.01 0.48 0.02 0.00 0.66 0.00 0.00 57.16 58.30 2qbc n GLU 45 Cb 0.06 -1.41 0.08 0.00 0.27 0.00 0.00 31.44 30.44 2qbc n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2qbc n PHE 46 N -1.94 0.16 0.47 4.31 0.99 -1.15 0.15 117.46 120.45 2qbc n PHE 46 Ca 0.00 1.22 -0.18 0.00 -0.00 0.00 0.00 57.45 58.49 2qbc n PHE 46 Cb 0.00 -0.96 -0.09 0.00 -1.00 0.00 0.00 39.48 37.44 2qbc n PHE 46 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2qbc h PHE 47 N 0.00 -1.10 -0.62 1.38 0.05 -1.60 0.37 116.94 115.42 2qbc h PHE 47 Ca 0.40 -0.03 0.11 0.00 3.82 0.00 0.00 57.97 62.27 2qbc h PHE 47 Cb 0.65 0.36 -0.08 0.00 2.00 0.00 0.00 35.95 38.88 2qbc h PHE 47 CO -0.83 -0.69 0.18 1.49 -0.18 0.00 0.00 178.31 178.29 2qbc h GLU 48 N -1.22 0.33 -0.76 1.51 4.22 0.80 0.53 114.58 119.98 2qbc h GLU 48 Ca -0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.26 2qbc h GLU 48 Cb 0.91 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2qbc h GLU 48 CO 0.20 0.22 0.32 0.00 -2.18 0.00 0.00 179.01 177.56 2qbc h ALA 49 N 1.46 1.12 -0.51 2.92 0.00 0.14 -1.67 119.26 122.72 2qbc h ALA 49 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2qbc h ALA 49 Cb 0.45 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2qbc h ALA 49 CO -0.36 0.64 0.13 0.54 0.00 0.00 0.00 179.25 180.19 2qbc n ARG 50 N -4.29 3.41 -0.05 0.00 3.00 0.13 -3.74 116.66 115.12 2qbc n ARG 50 Ca 0.07 -2.33 -0.10 0.00 -0.01 0.00 0.00 57.85 55.48 2qbc n ARG 50 Cb 0.17 -2.03 -0.03 0.00 0.00 0.00 0.00 32.46 30.57 2qbc n ARG 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2qbc n ARG 51 N 0.16 0.34 -0.13 5.56 1.74 0.17 -3.74 116.66 120.75 2qbc n ARG 51 Ca 0.27 0.14 0.02 0.00 -0.77 0.00 0.00 57.85 57.51 2qbc n ARG 51 Cb 1.07 -1.09 0.08 0.00 -1.02 0.00 0.00 32.46 31.50 2qbc n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbc n ALA 52 N -3.98 2.62 0.00 7.54 0.00 -1.10 -3.09 120.51 122.50 2qbc n ALA 52 Ca -0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 2qbc n ALA 52 Cb 0.47 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 2qbc n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbc n GLU 53 N 0.05 0.13 0.11 0.00 0.00 -1.25 -4.31 120.64 115.37 2qbc n GLU 53 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 57.16 57.21 2qbc n GLU 53 Cb 0.28 -0.73 -0.03 0.00 0.00 0.00 0.00 31.44 30.96 2qbc n GLU 53 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2qbc h LEU 54 N -0.24 -0.47 -4.85 4.31 3.38 -1.65 0.73 115.31 116.52 2qbc h LEU 54 Ca -0.05 0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 2qbc h LEU 54 Cb 0.51 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 2qbc h LEU 54 CO -0.03 -0.23 1.22 -0.62 0.09 0.00 0.00 178.44 178.87 2qbc n GLU 55 N -3.36 3.16 0.08 1.13 1.02 -1.18 -2.60 120.64 118.88 2qbc n GLU 55 Ca -0.04 -2.49 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 2qbc n GLU 55 Cb 0.16 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 2qbc n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbc n ALA 56 N 1.62 0.00 -0.34 0.62 0.00 -1.14 -4.86 120.51 116.41 2qbc n ALA 56 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2qbc n ALA 56 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2qbc n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbc n LYS 57 N -2.84 0.00 -0.08 0.00 3.00 0.25 -1.98 118.16 116.51 2qbc n LYS 57 Ca 0.00 0.33 0.18 0.00 -0.00 0.00 0.00 58.31 58.82 2qbc n LYS 57 Cb 0.00 -0.87 0.60 0.00 0.00 0.00 0.00 35.03 34.76 2qbc n LYS 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2qbc h LEU 58 N 0.00 0.20 -0.77 3.14 3.38 -1.52 0.62 115.31 120.35 2qbc h LEU 58 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qbc h LEU 58 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qbc h LEU 58 CO 0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 2qbc h ALA 59 N 1.69 1.00 -0.01 1.53 0.00 -1.64 -2.59 119.26 119.23 2qbc h ALA 59 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qbc h ALA 59 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qbc h ALA 59 CO -0.06 0.00 -0.04 -1.91 0.00 0.00 0.00 179.25 177.24 2qbc n GLU 60 N -3.06 1.35 0.00 0.00 2.13 0.21 -3.64 120.64 117.63 2qbc n GLU 60 Ca 0.02 -0.66 0.04 0.00 0.66 0.00 0.00 57.16 57.22 2qbc n GLU 60 Cb 0.41 -1.49 0.20 0.00 0.27 0.00 0.00 31.44 30.83 2qbc n GLU 60 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2qbc n VAL 61 N -0.25 0.91 0.22 6.31 3.14 -0.98 -1.72 118.33 125.97 2qbc n VAL 61 Ca 0.19 0.23 0.13 0.00 -2.96 0.00 0.00 64.34 61.93 2qbc n VAL 61 Cb 0.30 -1.10 0.71 0.00 -1.06 0.00 0.00 33.84 32.70 2qbc n VAL 61 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2qbc h LEU 62 N 0.00 0.00 -0.15 6.55 -0.00 -1.80 -2.87 115.31 117.04 2qbc h LEU 62 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2qbc h LEU 62 Cb 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.70 2qbc h LEU 62 CO 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 178.44 178.15 2qbc h ALA 63 N 1.80 -0.61 -0.98 0.17 0.00 -1.67 0.40 119.26 118.38 2qbc h ALA 63 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 2qbc h ALA 63 Cb 0.17 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2qbc h ALA 63 CO 0.00 -0.73 0.61 0.00 0.00 0.00 0.00 179.25 179.14 2qbc h ALA 64 N -0.74 1.86 0.00 0.00 0.00 -1.80 0.64 119.26 119.23 2qbc h ALA 64 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbc h ALA 64 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qbc h ALA 64 CO -0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 179.25 178.77 2qbc h ALA 65 N 1.63 1.00 -0.02 0.00 0.00 -1.34 -3.20 119.26 117.33 2qbc h ALA 65 Ca 0.54 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 2qbc h ALA 65 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qbc h ALA 65 CO -0.30 0.00 -0.13 -0.91 0.00 0.00 0.00 179.25 177.91 2qbc h ASN 66 N 0.00 0.15 0.26 0.00 2.35 0.21 -3.24 115.58 115.32 2qbc h ASN 66 Ca -0.00 -0.68 -0.04 0.00 -0.55 0.00 0.00 56.30 55.03 2qbc h ASN 66 Cb 0.84 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2qbc h ASN 66 CO 0.00 0.81 -0.19 0.00 -1.65 0.00 0.00 177.43 176.39 2qbc h ALA 67 N 0.35 1.53 -0.27 -0.83 0.00 -1.61 -3.13 119.26 115.30 2qbc h ALA 67 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2qbc h ALA 67 Cb 0.81 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2qbc h ALA 67 CO 0.03 0.24 -0.40 0.00 0.00 0.00 0.00 179.25 179.12 2qbc h ARG 68 N 0.00 -0.37 -0.99 0.00 2.47 -1.57 -1.72 114.38 112.20 2qbc h ARG 68 Ca -0.00 0.03 0.20 0.00 -1.26 0.00 0.00 59.98 58.94 2qbc h ARG 68 Cb 0.38 0.08 -0.19 0.00 -1.65 0.00 0.00 29.97 28.59 2qbc h ARG 68 CO 0.03 -0.25 -0.23 0.00 0.56 0.00 0.00 179.97 180.07 2qbc n ALA 69 N -2.98 0.25 0.09 0.04 0.00 -1.18 -0.46 120.51 116.27 2qbc n ALA 69 Ca -0.02 1.08 -0.14 0.00 0.00 0.00 0.00 53.44 54.36 2qbc n ALA 69 Cb 0.35 -0.66 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 2qbc n ALA 69 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbc h GLU 70 N 0.00 0.29 -0.10 0.00 4.11 -1.64 -2.95 114.58 114.30 2qbc h GLU 70 Ca 0.48 -0.43 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 2qbc h GLU 70 Cb 0.74 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2qbc h GLU 70 CO -1.01 1.17 -0.10 0.87 0.07 0.00 0.00 179.01 180.01 2qbc h LYS 71 N 0.11 0.24 -0.95 1.06 1.57 -0.25 0.90 116.57 119.24 2qbc h LYS 71 Ca -0.11 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2qbc h LYS 71 Cb 1.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.10 2qbc h LYS 71 CO 0.19 0.66 0.57 0.82 -0.57 0.00 0.00 179.45 181.11 2qbc h ILE 72 N -0.17 1.26 -0.07 1.86 2.04 -0.90 -1.65 117.51 119.88 2qbc h ILE 72 Ca 0.02 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2qbc h ILE 72 Cb 0.61 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2qbc h ILE 72 CO 0.02 0.27 0.00 -3.20 0.00 0.00 0.00 178.15 175.25 2qbc n ASN 73 N -4.35 2.00 -0.03 1.72 5.15 -1.11 -4.11 115.26 114.53 2qbc n ASN 73 Ca 0.11 -1.68 0.22 0.00 -0.60 0.00 0.00 54.58 52.63 2qbc n ASN 73 Cb 0.06 -0.04 0.71 0.00 -0.53 0.00 0.00 39.78 39.98 2qbc n ASN 73 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qbc h ALA 74 N 4.39 2.52 -2.65 5.20 0.00 0.19 -3.39 119.26 125.52 2qbc h ALA 74 Ca 0.00 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 2qbc h ALA 74 Cb 0.64 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2qbc h ALA 74 CO 0.00 -0.77 -0.22 -0.48 0.00 0.00 0.00 179.25 177.79 2qbc s LEU 75 N -8.47 4.32 0.15 0.00 2.34 -1.26 -5.01 118.68 110.75 2qbc s LEU 75 Ca -0.05 0.83 -0.13 0.00 0.06 0.00 0.00 54.13 54.83 2qbc s LEU 75 Cb 0.19 -3.12 0.03 0.00 -0.56 0.00 0.00 46.19 42.73 2qbc s LEU 75 CO 0.71 0.13 1.66 -0.33 -1.06 0.00 0.00 176.35 177.46 2qbc h GLU 76 N 3.50 0.78 0.00 1.48 5.08 -1.92 -3.46 114.58 120.05 2qbc h GLU 76 Ca -0.48 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 57.66 2qbc h GLU 76 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2qbc h GLU 76 CO 0.67 0.75 0.01 0.25 -1.00 0.00 0.00 179.01 179.69 2qbc n THR 77 N -4.48 0.00 -4.06 1.13 -2.24 -1.25 -3.98 114.28 99.40 2qbc n THR 77 Ca 0.01 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2qbc n THR 77 Cb 0.21 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 2qbc n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbc s VAL 78 N -2.65 0.44 0.08 2.28 1.01 -1.24 -4.93 120.40 115.37 2qbc s VAL 78 Ca 0.04 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 2qbc s VAL 78 Cb -0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 2qbc s VAL 78 CO 0.03 -0.55 0.64 -0.89 0.00 0.00 0.00 175.10 174.33 2qbc s THR 79 N -2.02 4.68 0.75 3.92 2.01 -1.26 -3.27 115.64 120.44 2qbc s THR 79 Ca -0.06 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 2qbc s THR 79 Cb -0.06 -3.98 0.16 0.00 0.01 0.00 0.00 72.50 68.63 2qbc s THR 79 CO -0.02 0.50 1.02 2.30 -0.69 0.00 0.00 174.62 177.74 2qbc n ILE 80 N 1.99 0.00 -1.72 1.82 -6.64 -1.26 -4.94 119.36 108.60 2qbc n ILE 80 Ca -0.08 -1.32 0.00 0.00 -1.77 0.00 0.00 62.75 59.58 2qbc n ILE 80 Cb 0.50 -1.09 0.00 0.00 -1.44 0.00 0.00 39.64 37.61 2qbc n ILE 80 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2qbc n ALA 81 N -3.16 1.62 -2.39 -1.28 0.00 -1.26 -4.96 120.51 109.08 2qbc n ALA 81 Ca -0.17 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.47 2qbc n ALA 81 Cb 0.55 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 2qbc n ALA 81 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qbc s SER 82 N -0.44 4.97 0.34 0.00 0.01 -1.26 -5.00 113.70 112.31 2qbc s SER 82 Ca 0.00 -0.72 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2qbc s SER 82 Cb 0.00 -0.71 -0.07 0.00 0.21 0.00 0.00 66.02 65.46 2qbc s SER 82 CO 0.00 -0.48 -0.06 -1.59 0.41 0.00 0.00 173.24 171.52 2qbc s LYS 83 N -4.00 1.76 0.25 12.44 -2.85 -1.26 -4.14 119.74 121.93 2qbc s LYS 83 Ca 0.43 -1.92 0.02 0.00 -1.00 0.00 0.00 55.97 53.50 2qbc s LYS 83 Cb -0.03 -1.50 -0.01 0.00 -2.06 0.00 0.00 37.83 34.23 2qbc s LYS 83 CO 0.26 0.07 0.07 0.00 0.10 0.00 0.00 175.35 175.85 2qbc n ALA 84 N -0.76 0.32 0.02 0.59 0.00 -1.26 -1.99 120.51 117.43 2qbc n ALA 84 Ca -0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 53.44 52.16 2qbc n ALA 84 Cb 0.64 0.80 -0.00 0.00 0.00 0.00 0.00 19.45 20.89 2qbc n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 85 N 0.68 -0.06 0.00 0.00 0.00 -0.50 -4.74 105.19 100.58 2qbc n GLY 85 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2qbc n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbc n ASP 86 N -3.21 0.00 -3.48 1.61 8.00 -1.26 -4.81 116.55 113.40 2qbc n ASP 86 Ca -0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 2qbc n ASP 86 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2qbc n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qbc n GLU 87 N 0.00 4.83 0.00 -1.24 4.71 -1.26 -4.52 120.64 123.16 2qbc n GLU 87 Ca 0.00 -4.08 0.00 0.00 -0.01 0.00 0.00 57.16 53.07 2qbc n GLU 87 Cb 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 27.94 2qbc n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qbc n GLY 88 N 0.51 2.18 3.52 0.62 0.00 -1.26 -4.57 105.19 106.19 2qbc n GLY 88 Ca 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 2qbc n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 89 N -0.42 0.30 -1.59 1.61 4.01 -1.18 -1.42 118.16 119.47 2qbc n LYS 89 Ca 0.00 -0.51 -0.47 0.00 -0.51 0.00 0.00 58.31 56.83 2qbc n LYS 89 Cb 0.00 -2.54 -0.03 0.00 -0.51 0.00 0.00 35.03 31.96 2qbc n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2qbc n LEU 90 N 13.03 1.84 0.00 -0.35 7.94 -1.07 -1.41 117.00 136.98 2qbc n LEU 90 Ca 0.55 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.60 2qbc n LEU 90 Cb 0.31 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 42.99 2qbc n LEU 90 CO 0.77 -1.23 0.00 0.49 -1.11 0.00 0.00 177.39 176.31 2qbc n PHE 91 N 1.06 0.00 0.00 1.96 3.01 -0.84 -4.65 117.46 118.00 2qbc n PHE 91 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2qbc n PHE 91 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 2qbc n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbc n GLY 92 N 0.62 -2.44 0.00 1.37 0.00 -1.26 -5.02 105.19 98.46 2qbc n GLY 92 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qbc n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbc n SER 93 N -0.24 0.00 -4.36 1.61 7.64 -1.26 -5.05 113.62 111.95 2qbc n SER 93 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2qbc n SER 93 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2qbc n SER 93 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2qbc s ILE 94 N -0.52 2.18 0.00 0.44 1.10 -1.21 -5.05 121.20 118.15 2qbc s ILE 94 Ca 0.00 -1.55 0.00 0.00 -0.51 0.00 0.00 60.65 58.59 2qbc s ILE 94 Cb 0.00 -1.90 0.00 0.00 0.15 0.00 0.00 42.46 40.71 2qbc s ILE 94 CO 0.00 0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.68 2qbc n GLY 95 N 1.39 -0.67 4.33 1.50 0.00 -1.26 -4.01 105.19 106.46 2qbc n GLY 95 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2qbc n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbc n THR 96 N -1.02 0.00 0.03 2.61 5.66 -1.26 0.17 114.28 120.48 2qbc n THR 96 Ca 0.00 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.19 2qbc n THR 96 Cb 0.00 0.00 0.70 0.00 -1.55 0.00 0.00 70.33 69.48 2qbc n THR 96 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2qbc h ARG 97 N 0.00 0.00 0.29 1.09 0.11 -1.98 -0.49 114.38 113.39 2qbc h ARG 97 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2qbc h ARG 97 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2qbc h ARG 97 CO 0.00 0.00 -0.14 -0.44 0.10 0.00 0.00 179.97 179.49 2qbc h ASP 98 N 0.00 -0.33 -0.14 0.08 3.32 0.13 -3.17 116.42 116.32 2qbc h ASP 98 Ca 0.22 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.32 2qbc h ASP 98 Cb 0.91 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2qbc h ASP 98 CO -0.00 -0.07 0.20 0.16 -1.72 0.00 0.00 179.24 177.81 2qbc h ILE 99 N -0.72 0.32 0.00 0.35 3.07 -1.53 -3.01 117.51 115.99 2qbc h ILE 99 Ca -0.04 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.37 2qbc h ILE 99 Cb 0.30 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 2qbc h ILE 99 CO 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.16 2qbc n ALA 100 N -2.22 -0.30 -0.14 0.16 0.00 -0.21 -1.50 120.51 116.29 2qbc n ALA 100 Ca 0.01 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.73 2qbc n ALA 100 Cb 0.31 0.03 0.69 0.00 0.00 0.00 0.00 19.45 20.48 2qbc n ALA 100 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qbc h ASP 101 N 0.00 0.00 0.00 0.00 3.32 -1.51 0.13 116.42 118.36 2qbc h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qbc h ASP 101 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qbc h ASP 101 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2qbc n ALA 102 N -2.50 -0.26 0.26 3.45 0.00 -1.08 0.22 120.51 120.59 2qbc n ALA 102 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.80 2qbc n ALA 102 Cb 1.06 0.00 0.87 0.00 0.00 0.00 0.00 19.45 21.38 2qbc n ALA 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2qbc h VAL 103 N 0.00 0.20 0.01 0.00 3.04 -0.75 0.76 116.25 119.51 2qbc h VAL 103 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 2qbc h VAL 103 Cb 0.00 0.76 0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2qbc h VAL 103 CO 0.00 0.00 -0.50 0.74 -1.01 0.00 0.00 177.57 176.80 2qbc h THR 104 N 0.00 1.48 0.00 3.17 2.02 -0.70 -2.97 112.91 115.91 2qbc h THR 104 Ca 0.06 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2qbc h THR 104 Cb 0.60 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 2qbc h THR 104 CO -0.00 0.59 0.00 0.00 0.37 0.00 0.00 175.52 176.48 2qbc n ALA 105 N -2.58 1.38 -0.25 6.16 0.00 0.13 -3.15 120.51 122.20 2qbc n ALA 105 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qbc n ALA 105 Cb 0.63 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2qbc n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 106 N -1.35 0.00 0.16 0.00 0.00 -0.98 -5.06 120.51 113.29 2qbc n ALA 106 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2qbc n ALA 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2qbc n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 107 N 2.02 -1.52 3.79 0.00 0.00 -1.18 -5.13 105.19 103.16 2qbc n GLY 107 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 2qbc n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbc s VAL 108 N -1.69 3.55 0.00 1.61 1.01 -1.26 -4.97 120.40 118.64 2qbc s VAL 108 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2qbc s VAL 108 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2qbc s VAL 108 CO 0.00 -0.49 0.41 1.21 0.00 0.00 0.00 175.10 176.23 2qbc n GLU 109 N -2.50 0.00 -3.86 2.72 4.07 -1.26 -3.91 120.64 115.90 2qbc n GLU 109 Ca 0.09 0.16 -0.32 0.00 -0.06 0.00 0.00 57.16 57.03 2qbc n GLU 109 Cb 0.53 -0.97 0.01 0.00 -0.06 0.00 0.00 31.44 30.94 2qbc n GLU 109 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2qbc n VAL 110 N -0.98 -2.72 -3.20 6.31 3.14 -1.26 -4.24 118.33 115.38 2qbc n VAL 110 Ca 0.00 -0.24 -0.39 0.00 -2.96 0.00 0.00 64.34 60.75 2qbc n VAL 110 Cb 0.00 -2.38 -0.06 0.00 -1.06 0.00 0.00 33.84 30.34 2qbc n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbc s ALA 111 N -3.23 3.53 -0.06 1.55 0.00 -1.26 -4.77 121.76 117.53 2qbc s ALA 111 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 2qbc s ALA 111 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2qbc s ALA 111 CO 0.86 -0.43 0.26 0.36 0.00 0.00 0.00 175.76 176.81 2qbc n LYS 112 N 4.74 0.00 0.00 0.00 2.85 -1.26 -4.85 118.16 119.65 2qbc n LYS 112 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2qbc n LYS 112 Cb 0.50 -0.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2qbc n LYS 112 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2qbc n SER 113 N 0.56 0.00 0.00 -5.58 7.64 -1.26 -4.99 113.62 110.00 2qbc n SER 113 Ca 0.05 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.97 2qbc n SER 113 Cb -0.00 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.44 2qbc n SER 113 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2qbc n GLU 114 N 0.00 0.34 -1.31 1.43 0.28 -1.26 -4.87 120.64 115.25 2qbc n GLU 114 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 2qbc n GLU 114 Cb 0.00 -1.37 0.02 0.00 1.43 0.00 0.00 31.44 31.51 2qbc n GLU 114 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2qbc n VAL 115 N -0.87 0.64 0.30 3.84 3.14 -1.26 -4.59 118.33 119.53 2qbc n VAL 115 Ca 0.06 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.95 2qbc n VAL 115 Cb 0.03 -0.19 0.14 0.00 -1.06 0.00 0.00 33.84 32.76 2qbc n VAL 115 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2qbc n ARG 116 N 1.07 2.30 -0.78 1.45 0.63 -1.26 -4.87 116.66 115.20 2qbc n ARG 116 Ca 0.09 -1.14 -0.37 0.00 -0.92 0.00 0.00 57.85 55.52 2qbc n ARG 116 Cb 0.47 -1.74 -0.08 0.00 0.45 0.00 0.00 32.46 31.57 2qbc n ARG 116 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2qbc n LEU 117 N 0.19 0.45 -0.29 6.15 7.94 -1.26 -4.78 117.00 125.40 2qbc n LEU 117 Ca 0.12 0.41 0.11 0.00 -1.11 0.00 0.00 56.01 55.53 2qbc n LEU 117 Cb 0.64 -0.56 0.27 0.00 0.53 0.00 0.00 43.42 44.30 2qbc n LEU 117 CO 0.13 -0.48 1.02 -0.65 -1.11 0.00 0.00 177.39 176.31 2qbc h PRO 118 N 5.68 0.38 0.00 1.96 0.11 -1.95 -3.45 132.00 134.73 2qbc h PRO 118 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2qbc h PRO 118 Cb 0.88 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2qbc h PRO 118 CO 0.69 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 179.00 2qbc n ASN 119 N -5.06 0.00 -4.57 -2.05 0.23 -1.26 -5.07 115.26 97.49 2qbc n ASN 119 Ca 0.20 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.96 2qbc n ASN 119 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 2qbc n ASN 119 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2qbc s GLY 120 N 0.00 0.35 0.00 4.83 0.00 -1.26 -4.72 107.32 106.52 2qbc s GLY 120 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2qbc s GLY 120 CO 0.00 3.39 0.00 3.33 0.00 0.00 0.00 173.10 179.82 2qbc n VAL 121 N 7.70 0.00 -1.59 1.40 0.24 -1.26 -4.84 118.33 119.97 2qbc n VAL 121 Ca 0.41 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.53 2qbc n VAL 121 Cb 0.47 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 2qbc n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbc n LEU 122 N 0.00 -1.35 -1.49 1.34 7.99 -1.26 -3.28 117.00 118.95 2qbc n LEU 122 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.40 2qbc n LEU 122 Cb 0.00 -2.53 0.00 0.00 -0.11 0.00 0.00 43.42 40.78 2qbc n LEU 122 CO 0.00 -0.87 0.86 0.54 -1.51 0.00 0.00 177.39 176.41 2qbc n ARG 123 N -2.50 0.91 -3.62 3.23 3.00 -1.26 -4.34 116.66 112.07 2qbc n ARG 123 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.56 2qbc n ARG 123 Cb 0.59 -1.05 -0.07 0.00 0.00 0.00 0.00 32.46 31.94 2qbc n ARG 123 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2qbc s THR 124 N 0.17 0.00 0.43 0.55 -1.32 -0.51 -2.59 115.64 112.37 2qbc s THR 124 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 2qbc s THR 124 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2qbc s THR 124 CO 0.00 0.00 0.90 0.42 -2.21 0.00 0.00 174.62 173.73 2qbc s THR 125 N 0.02 4.51 0.00 5.08 -4.23 -1.16 -4.75 115.64 115.11 2qbc s THR 125 Ca 0.02 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2qbc s THR 125 Cb -0.04 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2qbc s THR 125 CO -0.04 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2qbc n GLY 126 N -0.86 1.85 3.77 3.99 0.00 0.15 -4.82 105.19 109.27 2qbc n GLY 126 Ca 0.06 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2qbc n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qbc s GLU 127 N -1.56 3.71 -0.17 1.61 1.03 -1.25 0.19 118.70 122.26 2qbc s GLU 127 Ca 0.00 1.77 -0.08 0.00 0.03 0.00 0.00 54.97 56.69 2qbc s GLU 127 Cb 0.00 -2.37 0.07 0.00 -0.80 0.00 0.00 34.13 31.03 2qbc s GLU 127 CO 0.00 -0.59 0.38 -1.01 -1.33 0.00 0.00 175.26 172.71 2qbc s HIS 128 N -1.56 -0.60 -0.02 4.83 3.76 0.24 -4.86 115.29 117.08 2qbc s HIS 128 Ca 0.64 1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 56.52 2qbc s HIS 128 Cb -0.28 0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 2qbc s HIS 128 CO 0.34 -0.36 1.18 -1.83 -0.85 0.00 0.00 174.74 173.22 2qbc s GLU 129 N 1.75 4.39 -0.19 1.40 4.04 -1.26 0.16 118.70 128.99 2qbc s GLU 129 Ca -0.07 1.69 -0.04 0.00 0.04 0.00 0.00 54.97 56.58 2qbc s GLU 129 Cb -0.10 -3.49 0.08 0.00 0.02 0.00 0.00 34.13 30.65 2qbc s GLU 129 CO -0.12 -0.36 0.19 0.08 -1.84 0.00 0.00 175.26 173.20 2qbc s VAL 130 N 1.78 -0.26 0.00 1.83 1.01 0.83 -4.90 120.40 120.68 2qbc s VAL 130 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2qbc s VAL 130 Cb -0.26 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2qbc s VAL 130 CO 0.25 -0.20 0.00 -0.24 0.00 0.00 0.00 175.10 174.90 2qbc n SER 131 N 5.31 0.00 -3.16 3.32 2.88 -1.26 -1.69 113.62 119.03 2qbc n SER 131 Ca -0.06 -0.65 0.05 0.00 -1.33 0.00 0.00 58.87 56.88 2qbc n SER 131 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2qbc n SER 131 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2qbc s PHE 132 N -0.13 -0.49 -0.61 0.66 5.36 -1.22 -4.72 117.98 116.82 2qbc s PHE 132 Ca 0.00 0.54 -0.24 0.00 -0.96 0.00 0.00 56.93 56.27 2qbc s PHE 132 Cb 0.00 0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.91 2qbc s PHE 132 CO 0.00 -0.27 0.97 1.14 -1.46 0.00 0.00 175.22 175.60 2qbc s GLN 133 N 2.93 3.22 0.06 10.12 0.00 -1.25 -3.35 119.66 131.40 2qbc s GLN 133 Ca -0.02 -0.51 0.26 0.00 -0.00 0.00 0.00 55.36 55.08 2qbc s GLN 133 Cb -0.10 -4.14 0.60 0.00 0.00 0.00 0.00 33.01 29.38 2qbc s GLN 133 CO -0.11 -1.67 1.50 0.28 0.00 0.00 0.00 175.29 175.30 2qbc n VAL 134 N 6.08 0.18 -4.05 3.63 0.31 0.12 -4.01 118.33 120.58 2qbc n VAL 134 Ca -0.01 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 2qbc n VAL 134 Cb 0.47 -0.09 -0.03 0.00 -0.91 0.00 0.00 33.84 33.27 2qbc n VAL 134 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2qbc s HIS 135 N -3.07 0.95 0.22 3.52 5.65 -1.10 -4.95 115.29 116.50 2qbc s HIS 135 Ca 0.10 -1.23 -0.10 0.00 0.25 0.00 0.00 55.06 54.08 2qbc s HIS 135 Cb 0.16 0.03 0.32 0.00 -1.18 0.00 0.00 32.58 31.90 2qbc s HIS 135 CO 0.67 -1.19 1.68 0.77 -0.65 0.00 0.00 174.74 176.02 2qbc h SER 136 N 2.10 -0.17 0.00 9.88 0.02 -2.02 -2.90 113.55 120.46 2qbc h SER 136 Ca -0.29 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2qbc h SER 136 Cb 1.24 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2qbc h SER 136 CO 0.39 -0.07 -0.05 -0.62 -1.14 0.00 0.00 176.83 175.33 2qbc n GLU 137 N -5.23 1.29 -3.76 3.45 4.71 -1.26 -5.00 120.64 114.83 2qbc n GLU 137 Ca 0.10 -2.29 -0.37 0.00 -0.01 0.00 0.00 57.16 54.59 2qbc n GLU 137 Cb 0.36 -1.34 -0.13 0.00 -1.01 0.00 0.00 31.44 29.33 2qbc n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qbc s VAL 138 N -2.36 4.04 -0.25 2.62 1.01 -1.09 -5.06 120.40 119.30 2qbc s VAL 138 Ca 0.25 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 2qbc s VAL 138 Cb 0.22 -3.01 0.13 0.00 0.00 0.00 0.00 36.38 33.72 2qbc s VAL 138 CO 0.02 0.17 1.08 0.72 0.00 0.00 0.00 175.10 177.09 2qbc s PHE 139 N 1.53 -0.38 -0.08 5.22 -0.12 -1.25 0.10 117.98 123.00 2qbc s PHE 139 Ca 0.04 0.86 -0.01 0.00 -0.05 0.00 0.00 56.93 57.76 2qbc s PHE 139 Cb -0.16 0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.66 2qbc s PHE 139 CO 0.02 -0.23 0.00 0.00 -0.05 0.00 0.00 175.22 174.97 2qbc s ALA 140 N -0.23 0.73 -0.99 1.99 0.00 -1.21 -4.85 121.76 117.20 2qbc s ALA 140 Ca 0.02 -0.18 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 2qbc s ALA 140 Cb -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2qbc s ALA 140 CO -0.05 -0.52 1.87 0.15 0.00 0.00 0.00 175.76 177.21 2qbc s LYS 141 N 1.96 2.73 -0.22 0.00 3.01 -1.26 -3.46 119.74 122.50 2qbc s LYS 141 Ca 0.05 -0.63 -0.14 0.00 -1.01 0.00 0.00 55.97 54.23 2qbc s LYS 141 Cb -0.13 -5.15 -0.04 0.00 -1.01 0.00 0.00 37.83 31.50 2qbc s LYS 141 CO -0.06 -3.30 0.33 0.08 0.51 0.00 0.00 175.35 172.91 2qbc s VAL 142 N 9.39 5.24 0.37 3.17 1.01 -0.68 -4.74 120.40 134.16 2qbc s VAL 142 Ca 0.66 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 2qbc s VAL 142 Cb -0.04 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 2qbc s VAL 142 CO 0.01 0.26 0.85 -0.63 0.00 0.00 0.00 175.10 175.59 2qbc s ILE 143 N 1.38 4.51 -0.11 2.22 1.01 -1.26 -0.12 121.20 128.84 2qbc s ILE 143 Ca 0.15 1.28 0.01 0.00 0.00 0.00 0.00 60.65 62.09 2qbc s ILE 143 Cb -0.15 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2qbc s ILE 143 CO 0.07 -0.21 -0.12 0.68 0.00 0.00 0.00 174.94 175.37 2qbc s VAL 144 N -2.03 1.25 -0.37 2.92 -7.23 0.42 -3.72 120.40 111.64 2qbc s VAL 144 Ca 0.57 -0.47 -0.22 0.00 -1.81 0.00 0.00 61.98 60.05 2qbc s VAL 144 Cb -0.11 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.65 2qbc s VAL 144 CO 0.16 0.40 0.72 0.21 -0.31 0.00 0.00 175.10 176.27 2qbc s ASN 145 N 1.25 6.47 0.15 4.85 3.84 -1.20 0.80 114.94 131.11 2qbc s ASN 145 Ca -0.02 0.18 -0.28 0.00 0.21 0.00 0.00 52.86 52.95 2qbc s ASN 145 Cb -0.14 -2.36 -0.07 0.00 -0.55 0.00 0.00 41.25 38.12 2qbc s ASN 145 CO -0.04 -0.70 0.87 -0.69 -2.79 0.00 0.00 177.10 173.75 2qbc s VAL 146 N 2.95 4.37 0.29 -5.21 1.01 0.49 -4.26 120.40 120.04 2qbc s VAL 146 Ca 0.28 1.90 0.05 0.00 0.00 0.00 0.00 61.98 64.21 2qbc s VAL 146 Cb -0.14 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2qbc s VAL 146 CO 0.17 0.44 0.17 0.52 0.00 0.00 0.00 175.10 176.39 2qbc n VAL 147 N 2.06 0.00 0.00 2.92 0.31 -1.26 0.32 118.33 122.68 2qbc n VAL 147 Ca -0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 64.34 62.42 2qbc n VAL 147 Cb 0.49 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 34.22 2qbc n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbc n ALA 148 N -1.35 0.00 1.47 3.52 0.00 -1.26 -4.78 120.51 118.11 2qbc n ALA 148 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.47 2qbc n ALA 148 Cb 0.48 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.43 2qbc n ALA 148 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89