#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg s LYS 2 N 0.00 0.60 -0.30 0.00 0.00 -1.26 -5.13 119.74 113.65 2qbg s LYS 2 Ca 0.00 1.24 0.05 0.00 0.00 0.00 0.00 55.97 57.26 2qbg s LYS 2 Cb 0.00 0.39 0.18 0.00 0.00 0.00 0.00 37.83 38.40 2qbg s LYS 2 CO 0.00 -0.18 0.53 0.15 0.00 0.00 0.00 175.35 175.85 2qbg s LYS 3 N 2.12 0.53 0.04 1.78 3.01 -1.26 -5.16 119.74 120.81 2qbg s LYS 3 Ca -0.08 0.31 -0.05 0.00 -1.01 0.00 0.00 55.97 55.15 2qbg s LYS 3 Cb -0.08 0.03 -0.02 0.00 -1.01 0.00 0.00 37.83 36.75 2qbg s LYS 3 CO -0.18 -1.06 0.08 0.54 0.51 0.00 0.00 175.35 175.24 2qbg s VAL 4 N 2.63 0.14 0.95 3.17 0.11 -1.26 -5.17 120.40 120.98 2qbg s VAL 4 Ca 0.10 -1.19 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 2qbg s VAL 4 Cb -0.11 -0.98 -0.19 0.00 -1.53 0.00 0.00 36.38 33.58 2qbg s VAL 4 CO -0.26 -0.66 -1.46 0.00 -3.33 0.00 0.00 175.10 169.40 2qbg n GLN 5 N 0.66 0.00 0.00 1.54 10.64 -1.26 -4.92 117.38 124.04 2qbg n GLN 5 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 2qbg n GLN 5 Cb 0.59 -0.97 0.00 0.00 -0.86 0.00 0.00 30.24 29.00 2qbg n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qbg n ALA 6 N -3.37 -1.32 -2.98 2.61 0.00 -1.26 -5.01 120.51 109.18 2qbg n ALA 6 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2qbg n ALA 6 Cb 0.71 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 19.81 2qbg n ALA 6 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qbg n TYR 7 N -0.00 -3.31 -2.92 0.00 4.19 -1.26 -5.00 117.16 108.87 2qbg n TYR 7 Ca 0.00 1.35 -0.25 0.00 3.31 0.00 0.00 57.90 62.31 2qbg n TYR 7 Cb 0.00 -3.56 0.00 0.00 0.49 0.00 0.00 39.34 36.27 2qbg n TYR 7 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2qbg s VAL 8 N -2.27 4.59 -0.00 2.97 -7.23 0.89 -4.94 120.40 114.41 2qbg s VAL 8 Ca 0.25 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2qbg s VAL 8 Cb -0.06 -3.72 -0.00 0.00 0.56 0.00 0.00 36.38 33.16 2qbg s VAL 8 CO 0.78 -0.59 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.40 2qbg s LYS 9 N -4.59 0.31 -0.01 4.82 1.02 -1.26 -0.74 119.74 119.29 2qbg s LYS 9 Ca 0.46 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 2qbg s LYS 9 Cb -0.10 -0.31 0.07 0.00 -0.52 0.00 0.00 37.83 36.97 2qbg s LYS 9 CO 0.40 0.07 0.66 -0.48 -0.92 0.00 0.00 175.35 175.09 2qbg s LEU 10 N -0.03 -0.63 -0.49 3.17 0.05 -0.65 -5.00 118.68 115.10 2qbg s LEU 10 Ca 0.01 0.58 -0.08 0.00 0.05 0.00 0.00 54.13 54.68 2qbg s LEU 10 Cb -0.02 2.54 0.13 0.00 -2.05 0.00 0.00 46.19 46.78 2qbg s LEU 10 CO -0.00 -0.68 0.36 -1.10 -0.55 0.00 0.00 176.35 174.38 2qbg s GLN 11 N -1.68 2.47 0.08 1.48 -0.21 -1.26 -0.44 119.66 120.10 2qbg s GLN 11 Ca -0.09 -1.88 0.06 0.00 0.02 0.00 0.00 55.36 53.47 2qbg s GLN 11 Cb -0.00 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 2qbg s GLN 11 CO 0.06 -1.18 -0.05 0.54 -2.12 0.00 0.00 175.29 172.53 2qbg s VAL 12 N 1.15 3.68 1.02 1.09 0.11 -1.21 -4.92 120.40 121.33 2qbg s VAL 12 Ca 0.08 -1.08 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 2qbg s VAL 12 Cb -0.24 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.93 2qbg s VAL 12 CO -0.02 0.16 0.08 0.00 -3.33 0.00 0.00 175.10 171.99 2qbg n ALA 13 N 0.78 -3.56 -0.81 1.54 0.00 -1.26 -2.79 120.51 114.41 2qbg n ALA 13 Ca -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2qbg n ALA 13 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qbg n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg n ALA 14 N -3.86 -0.09 -3.09 0.00 0.00 -1.20 -4.23 120.51 108.05 2qbg n ALA 14 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2qbg n ALA 14 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qbg n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbg n GLY 15 N -0.54 5.00 3.65 0.00 0.00 -1.26 -4.56 105.19 107.47 2qbg n GLY 15 Ca 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 46.02 43.34 2qbg n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qbg s MET 16 N -2.53 0.14 0.04 1.61 -2.45 -1.26 -5.03 119.30 109.81 2qbg s MET 16 Ca 0.31 0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 54.66 2qbg s MET 16 Cb 0.03 0.05 0.10 0.00 1.25 0.00 0.00 34.83 36.26 2qbg s MET 16 CO 0.07 -0.02 1.16 0.00 1.05 0.00 0.00 175.02 177.27 2qbg s ALA 17 N 0.58 -2.01 0.00 4.11 0.00 -1.26 -4.39 121.76 118.79 2qbg s ALA 17 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2qbg s ALA 17 Cb -0.04 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.52 2qbg s ALA 17 CO -0.12 -1.02 0.00 -1.71 0.00 0.00 0.00 175.76 172.91 2qbg n ASN 18 N -0.46 0.00 -4.55 0.00 2.85 -1.26 -4.98 115.26 106.85 2qbg n ASN 18 Ca -0.07 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 2qbg n ASN 18 Cb 0.62 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.64 2qbg n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qbg n PRO 19 N -0.33 1.08 0.32 1.20 -0.02 -1.26 -4.29 135.00 131.70 2qbg n PRO 19 Ca 0.00 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 2qbg n PRO 19 Cb 0.00 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 2qbg n PRO 19 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbg h SER 20 N 1.50 -0.70 0.13 2.55 0.87 -1.97 -0.73 113.55 115.19 2qbg h SER 20 Ca -0.41 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2qbg h SER 20 Cb 1.36 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 2qbg h SER 20 CO 0.57 -0.35 -0.32 -0.65 -0.53 0.00 0.00 176.83 175.55 2qbg h PRO 21 N -1.09 -0.53 0.48 2.24 0.11 -1.99 -3.19 132.00 128.03 2qbg h PRO 21 Ca -0.08 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2qbg h PRO 21 Cb 0.68 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2qbg h PRO 21 CO 0.14 -0.35 -0.23 -1.35 -0.21 0.00 0.00 178.00 175.99 2qbg h PRO 22 N -0.55 -0.62 0.00 1.05 0.11 -1.96 -3.46 132.00 126.57 2qbg h PRO 22 Ca 0.03 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2qbg h PRO 22 Cb 0.58 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2qbg h PRO 22 CO -0.18 -0.35 0.00 0.28 -0.21 0.00 0.00 178.00 177.53 2qbg n VAL 23 N -5.32 0.00 0.00 3.15 0.31 -0.32 -4.80 118.33 111.35 2qbg n VAL 23 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qbg n VAL 23 Cb 0.30 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 2qbg n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbg n GLY 24 N 5.00 1.88 0.47 2.92 0.00 -0.95 -1.61 105.19 112.91 2qbg n GLY 24 Ca 0.00 0.54 0.36 0.00 0.00 0.00 0.00 46.02 46.91 2qbg n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbg h PRO 25 N 0.00 0.12 -0.05 1.61 0.11 -1.87 0.19 132.00 132.10 2qbg h PRO 25 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 2qbg h PRO 25 Cb 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2qbg h PRO 25 CO 0.00 0.08 -0.05 0.00 -0.21 0.00 0.00 178.00 177.82 2qbg h ALA 26 N 1.56 -0.24 0.00 -0.75 0.00 -1.55 -2.60 119.26 115.68 2qbg h ALA 26 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.69 2qbg h ALA 26 Cb 2.47 0.84 0.00 0.00 0.00 0.00 0.00 17.79 21.09 2qbg h ALA 26 CO -0.36 -0.27 -0.79 1.47 0.00 0.00 0.00 179.25 179.30 2qbg n LEU 27 N -3.02 0.65 0.03 0.00 -0.00 -1.07 -4.05 117.00 109.53 2qbg n LEU 27 Ca -0.00 0.12 0.13 0.00 -0.00 0.00 0.00 56.01 56.25 2qbg n LEU 27 Cb 0.03 -0.15 0.58 0.00 -0.00 0.00 0.00 43.42 43.88 2qbg n LEU 27 CO -0.00 -0.01 1.16 1.23 -0.00 0.00 0.00 177.39 179.77 2qbg h GLY 28 N 4.54 0.28 0.96 1.47 0.00 -0.32 -1.35 103.07 108.64 2qbg h GLY 28 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2qbg h GLY 28 CO 0.00 0.06 0.19 1.46 0.00 0.00 0.00 176.54 178.25 2qbg h GLN 29 N 0.21 0.51 -0.18 4.80 4.20 -1.62 -2.20 115.11 120.84 2qbg h GLN 29 Ca 0.20 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.89 2qbg h GLN 29 Cb 0.51 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2qbg h GLN 29 CO -0.03 0.44 0.15 1.96 -0.67 0.00 0.00 178.83 180.67 2qbg h GLN 30 N 0.46 0.00 0.00 1.46 1.08 -1.49 -3.45 115.11 113.16 2qbg h GLN 30 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2qbg h GLN 30 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2qbg h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qbg n GLY 31 N -1.51 1.61 3.81 3.46 0.00 -0.82 -5.02 105.19 106.73 2qbg n GLY 31 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2qbg n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbg s VAL 32 N -2.00 4.08 -0.74 1.61 1.01 -1.16 -4.83 120.40 118.37 2qbg s VAL 32 Ca 0.00 1.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.91 2qbg s VAL 32 Cb 0.00 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.97 2qbg s VAL 32 CO 0.00 -0.46 0.91 0.20 0.00 0.00 0.00 175.10 175.75 2qbg s ASN 33 N -2.55 6.39 0.06 3.32 0.02 -1.26 -4.67 114.94 116.24 2qbg s ASN 33 Ca 0.63 -1.67 -0.12 0.00 -1.02 0.00 0.00 52.86 50.68 2qbg s ASN 33 Cb -0.13 -2.35 -0.03 0.00 0.02 0.00 0.00 41.25 38.75 2qbg s ASN 33 CO 0.27 -1.12 1.21 0.40 0.02 0.00 0.00 177.10 177.88 2qbg h ILE 34 N 5.79 0.00 -0.58 0.60 1.08 -1.94 -2.35 117.51 120.11 2qbg h ILE 34 Ca -0.10 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2qbg h ILE 34 Cb 1.06 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.70 2qbg h ILE 34 CO 1.09 0.00 -0.45 -0.03 -0.69 0.00 0.00 178.15 178.06 2qbg h MET 35 N -0.05 -0.23 -0.31 2.37 4.05 -1.97 -0.33 114.93 118.47 2qbg h MET 35 Ca 0.05 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 2qbg h MET 35 Cb 0.18 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 2qbg h MET 35 CO -0.32 -0.15 -0.25 1.49 0.23 0.00 0.00 176.91 177.91 2qbg h GLU 36 N -0.24 -0.21 -0.49 0.39 4.81 -1.90 -2.12 114.58 114.81 2qbg h GLU 36 Ca 0.17 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2qbg h GLU 36 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2qbg h GLU 36 CO -0.69 -0.14 0.30 0.35 -0.73 0.00 0.00 179.01 178.10 2qbg h PHE 37 N -0.22 0.64 -0.37 0.92 3.57 -0.89 0.16 116.94 120.75 2qbg h PHE 37 Ca 0.16 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2qbg h PHE 37 Cb 0.47 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.91 2qbg h PHE 37 CO -0.43 0.43 -0.40 0.00 -2.23 0.00 0.00 178.31 175.68 2qbg h LYS 39 N -0.33 0.77 0.04 0.00 1.79 -1.35 -2.72 116.57 114.76 2qbg h LYS 39 Ca 0.14 -0.49 0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2qbg h LYS 39 Cb 0.58 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2qbg h LYS 39 CO -0.54 1.11 -0.07 0.00 -1.08 0.00 0.00 179.45 178.87 2qbg h ALA 40 N 0.65 -0.11 0.34 3.86 0.00 0.00 -1.00 119.26 123.00 2qbg h ALA 40 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qbg h ALA 40 Cb 1.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qbg h ALA 40 CO 0.11 -0.58 -0.17 0.35 0.00 0.00 0.00 179.25 178.96 2qbg h PHE 41 N -0.14 -0.45 0.00 0.00 3.57 0.71 -2.68 116.94 117.95 2qbg h PHE 41 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qbg h PHE 41 Cb 0.15 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2qbg h PHE 41 CO -0.12 -0.27 0.31 -0.91 -2.23 0.00 0.00 178.31 175.09 2qbg h ASN 42 N -0.47 0.00 0.36 0.41 2.35 -1.53 -1.46 115.58 115.26 2qbg h ASN 42 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2qbg h ASN 42 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2qbg h ASN 42 CO 0.07 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.68 2qbg h ALA 43 N 1.26 -0.49 0.00 -0.83 0.00 -0.81 -3.08 119.26 115.30 2qbg h ALA 43 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2qbg h ALA 43 Cb 0.61 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2qbg h ALA 43 CO 0.00 -0.64 -0.49 0.87 0.00 0.00 0.00 179.25 179.00 2qbg h LYS 44 N -0.77 0.00 0.00 0.00 1.57 -1.31 -3.17 116.57 112.89 2qbg h LYS 44 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qbg h LYS 44 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2qbg h LYS 44 CO 0.08 0.49 0.00 1.79 -0.57 0.00 0.00 179.45 181.24 2qbg h THR 45 N 0.00 0.00 -0.25 -0.16 1.35 -1.33 -1.84 112.91 110.68 2qbg h THR 45 Ca -0.00 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 2qbg h THR 45 Cb 1.31 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 2qbg h THR 45 CO 0.06 0.00 0.01 0.44 -0.25 0.00 0.00 175.52 175.78 2qbg h ASP 46 N 0.00 0.42 -0.25 5.36 3.32 -1.51 -3.07 116.42 120.69 2qbg h ASP 46 Ca 0.00 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 2qbg h ASP 46 Cb 0.14 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qbg h ASP 46 CO 0.00 0.62 -0.04 0.28 -1.72 0.00 0.00 179.24 178.38 2qbg h SER 47 N 0.21 0.47 -4.27 6.45 0.02 -1.55 -3.43 113.55 111.44 2qbg h SER 47 Ca 0.07 -0.34 -0.51 0.00 -0.84 0.00 0.00 61.79 60.16 2qbg h SER 47 Cb 0.40 -0.13 0.13 0.00 0.14 0.00 0.00 62.40 62.94 2qbg h SER 47 CO 0.01 0.70 0.33 -0.51 -1.14 0.00 0.00 176.83 176.22 2qbg s ILE 48 N -4.85 3.13 -0.40 3.27 2.07 -1.02 -4.83 121.20 118.57 2qbg s ILE 48 Ca -0.14 0.42 -0.42 0.00 -1.41 0.00 0.00 60.65 59.10 2qbg s ILE 48 Cb 0.07 -2.87 -0.17 0.00 0.13 0.00 0.00 42.46 39.62 2qbg s ILE 48 CO 0.76 -0.43 1.87 -0.62 -1.91 0.00 0.00 174.94 174.60 2qbg n GLU 49 N -3.24 0.56 -2.86 3.50 -0.58 -1.26 -4.85 120.64 111.91 2qbg n GLU 49 Ca 0.10 0.19 -0.38 0.00 -0.42 0.00 0.00 57.16 56.64 2qbg n GLU 49 Cb 0.52 -1.86 -0.06 0.00 -0.57 0.00 0.00 31.44 29.48 2qbg n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2qbg s LYS 50 N 4.38 4.63 0.00 3.49 1.02 -1.26 -3.51 119.74 128.49 2qbg s LYS 50 Ca 1.07 1.28 0.00 0.00 0.02 0.00 0.00 55.97 58.34 2qbg s LYS 50 Cb -1.25 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 2qbg s LYS 50 CO 0.68 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.96 2qbg n GLY 51 N 1.14 1.15 3.45 -3.33 0.00 -1.26 -5.02 105.19 101.32 2qbg n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qbg n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 52 N 0.00 3.30 -0.26 0.99 1.43 -1.23 -4.86 118.68 118.05 2qbg s LEU 52 Ca 0.00 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2qbg s LEU 52 Cb 0.00 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qbg s LEU 52 CO 0.00 0.06 1.96 -2.16 0.23 0.00 0.00 176.35 176.44 2qbg s PRO 53 N 1.04 3.32 -0.19 1.29 0.04 -1.26 -3.22 135.00 136.02 2qbg s PRO 53 Ca 0.02 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 2qbg s PRO 53 Cb -0.14 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.13 2qbg s PRO 53 CO 0.02 -1.88 -0.06 -1.50 0.04 0.00 0.00 177.00 173.61 2qbg s ILE 54 N 7.24 3.42 -0.14 0.56 -1.16 -1.12 -4.21 121.20 125.79 2qbg s ILE 54 Ca 0.88 -0.50 -0.29 0.00 -0.51 0.00 0.00 60.65 60.22 2qbg s ILE 54 Cb -0.28 -2.52 -0.01 0.00 0.61 0.00 0.00 42.46 40.26 2qbg s ILE 54 CO 0.34 0.46 1.20 -2.16 -2.81 0.00 0.00 174.94 171.97 2qbg s PRO 55 N 0.99 4.28 0.01 3.50 0.04 -1.26 -3.33 135.00 139.22 2qbg s PRO 55 Ca -0.00 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2qbg s PRO 55 Cb -0.15 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.68 2qbg s PRO 55 CO 0.00 -0.61 -0.16 0.54 0.04 0.00 0.00 177.00 176.82 2qbg s VAL 56 N 3.04 2.95 -0.29 -0.36 0.11 0.41 -3.52 120.40 122.75 2qbg s VAL 56 Ca 0.53 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2qbg s VAL 56 Cb -0.21 -2.21 0.03 0.00 -1.53 0.00 0.00 36.38 32.46 2qbg s VAL 56 CO 0.15 0.43 0.01 -0.69 -3.33 0.00 0.00 175.10 171.68 2qbg s VAL 57 N -0.86 3.30 -0.09 2.04 1.01 -1.23 -1.64 120.40 122.93 2qbg s VAL 57 Ca 0.14 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2qbg s VAL 57 Cb -0.11 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2qbg s VAL 57 CO 0.04 0.04 0.33 -0.63 0.00 0.00 0.00 175.10 174.88 2qbg s ILE 58 N 1.36 5.22 -0.21 2.22 1.01 0.08 -2.97 121.20 127.92 2qbg s ILE 58 Ca -0.01 0.65 0.01 0.00 0.00 0.00 0.00 60.65 61.31 2qbg s ILE 58 Cb -0.18 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2qbg s ILE 58 CO -0.01 0.48 -0.12 0.28 0.00 0.00 0.00 174.94 175.57 2qbg s THR 59 N -0.26 1.80 0.14 2.92 -1.32 -0.24 -0.08 115.64 118.61 2qbg s THR 59 Ca 0.20 -1.11 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 2qbg s THR 59 Cb -0.14 -1.84 -0.06 0.00 -1.51 0.00 0.00 72.50 68.94 2qbg s THR 59 CO 0.08 0.19 0.43 -0.69 -2.21 0.00 0.00 174.62 172.43 2qbg s VAL 60 N 1.33 5.08 0.54 5.08 1.01 -1.26 -2.41 120.40 129.76 2qbg s VAL 60 Ca -0.02 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.32 2qbg s VAL 60 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qbg s VAL 60 CO -0.08 0.10 0.41 -0.31 0.00 0.00 0.00 175.10 175.22 2qbg s TYR 61 N -1.61 1.62 0.49 5.22 2.02 -0.77 -4.67 117.35 119.66 2qbg s TYR 61 Ca 0.40 -0.84 0.21 0.00 -0.37 0.00 0.00 57.07 56.47 2qbg s TYR 61 Cb -0.13 -1.92 1.35 0.00 -0.40 0.00 0.00 41.96 40.86 2qbg s TYR 61 CO 0.21 -0.49 2.11 0.00 -1.57 0.00 0.00 175.55 175.82 2qbg h ALA 62 N 0.74 1.66 0.00 3.71 0.00 -1.99 0.32 119.26 123.69 2qbg h ALA 62 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qbg h ALA 62 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qbg h ALA 62 CO 0.57 0.10 0.00 -3.47 0.00 0.00 0.00 179.25 176.45 2qbg n ASP 63 N -4.14 0.00 0.00 0.00 -0.08 -1.26 -4.79 116.55 106.28 2qbg n ASP 63 Ca -0.03 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2qbg n ASP 63 Cb 0.17 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.14 2qbg n ASP 63 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qbg n ARG 64 N -1.49 0.00 -1.29 -0.67 1.74 0.11 -4.98 116.66 110.08 2qbg n ARG 64 Ca 0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 2qbg n ARG 64 Cb 0.12 -2.39 0.22 0.00 -1.02 0.00 0.00 32.46 29.39 2qbg n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qbg n SER 65 N 0.00 -1.23 -3.54 0.55 2.88 -1.26 -4.57 113.62 106.46 2qbg n SER 65 Ca 0.00 -1.26 -0.08 0.00 -1.33 0.00 0.00 58.87 56.20 2qbg n SER 65 Cb 0.00 -0.96 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 2qbg n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qbg s PHE 66 N -3.21 -0.34 0.09 0.66 -0.71 -1.26 -1.84 117.98 111.38 2qbg s PHE 66 Ca 0.69 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.76 2qbg s PHE 66 Cb -0.05 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2qbg s PHE 66 CO 0.51 -0.64 -0.07 0.95 -1.34 0.00 0.00 175.22 174.63 2qbg s THR 67 N -3.24 0.72 -0.07 -4.49 -4.23 -1.01 -4.97 115.64 98.34 2qbg s THR 67 Ca 0.06 -1.82 -0.12 0.00 -1.18 0.00 0.00 61.69 58.62 2qbg s THR 67 Cb -0.01 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.31 2qbg s THR 67 CO -0.08 -0.79 0.31 0.72 -0.54 0.00 0.00 174.62 174.24 2qbg s PHE 68 N -3.26 -0.26 -0.27 3.99 -0.71 -1.26 -1.07 117.98 115.13 2qbg s PHE 68 Ca 0.09 0.57 -0.05 0.00 -1.04 0.00 0.00 56.93 56.50 2qbg s PHE 68 Cb 0.03 0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.95 2qbg s PHE 68 CO -0.04 -0.26 0.03 0.14 -1.34 0.00 0.00 175.22 173.75 2qbg s VAL 69 N -0.51 3.61 -0.34 -2.49 -7.23 -1.16 -4.96 120.40 107.31 2qbg s VAL 69 Ca -0.06 -0.75 -0.25 0.00 -1.81 0.00 0.00 61.98 59.11 2qbg s VAL 69 Cb -0.04 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 34.09 2qbg s VAL 69 CO 0.02 0.16 0.89 0.28 -0.31 0.00 0.00 175.10 176.14 2qbg s THR 70 N 1.45 4.65 0.00 5.32 -1.32 -1.26 -3.47 115.64 121.02 2qbg s THR 70 Ca 0.02 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.73 2qbg s THR 70 Cb -0.17 -4.27 0.00 0.00 -1.51 0.00 0.00 72.50 66.55 2qbg s THR 70 CO -0.00 -0.43 0.00 0.29 -2.21 0.00 0.00 174.62 172.27 2qbg n LYS 71 N 6.57 3.74 -4.10 7.08 5.02 -1.23 -5.08 118.16 130.17 2qbg n LYS 71 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 2qbg n LYS 71 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2qbg n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qbg s THR 72 N 2.32 4.64 0.58 -0.18 -1.32 -1.26 -4.82 115.64 115.60 2qbg s THR 72 Ca 0.00 -0.52 -0.19 0.00 -1.21 0.00 0.00 61.69 59.77 2qbg s THR 72 Cb 0.00 -3.15 -0.05 0.00 -1.51 0.00 0.00 72.50 67.79 2qbg s THR 72 CO 0.00 0.29 0.98 -0.81 -2.21 0.00 0.00 174.62 172.87 2qbg n PRO 73 N 0.98 0.97 -1.47 7.08 -0.04 -1.26 -4.54 135.00 136.72 2qbg n PRO 73 Ca -0.12 0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 2qbg n PRO 73 Cb 0.52 -2.17 0.03 0.00 -0.04 0.00 0.00 33.50 31.84 2qbg n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qbg n PRO 74 N -0.90 0.57 -0.19 0.54 -0.02 -1.26 -4.75 135.00 128.99 2qbg n PRO 74 Ca 0.13 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2qbg n PRO 74 Cb 0.46 -1.67 0.12 0.00 -0.02 0.00 0.00 33.50 32.40 2qbg n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbg h ALA 75 N 0.45 1.09 -0.29 3.55 0.00 -1.98 -1.30 119.26 120.77 2qbg h ALA 75 Ca -0.44 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2qbg h ALA 75 Cb 1.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2qbg h ALA 75 CO 0.49 0.61 0.10 0.00 0.00 0.00 0.00 179.25 180.44 2qbg h ALA 76 N 1.22 0.33 -0.05 0.00 0.00 -1.92 0.74 119.26 119.58 2qbg h ALA 76 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qbg h ALA 76 Cb 0.34 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qbg h ALA 76 CO 0.00 -0.30 0.02 0.28 0.00 0.00 0.00 179.25 179.25 2qbg h VAL 77 N 0.23 1.12 -0.87 0.00 2.07 -1.85 -1.89 116.25 115.06 2qbg h VAL 77 Ca 0.13 -0.35 0.11 0.00 0.82 0.00 0.00 66.70 67.41 2qbg h VAL 77 Cb 0.10 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2qbg h VAL 77 CO -0.14 0.10 0.56 -0.07 0.02 0.00 0.00 177.57 178.04 2qbg h LEU 78 N -0.05 0.74 -0.70 2.57 3.38 -0.90 -0.48 115.31 119.86 2qbg h LEU 78 Ca 0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2qbg h LEU 78 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qbg h LEU 78 CO -0.00 0.42 -0.34 -0.07 0.09 0.00 0.00 178.44 178.54 2qbg h LEU 79 N 0.81 0.64 -0.61 1.67 3.38 -0.55 -1.76 115.31 118.89 2qbg h LEU 79 Ca 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2qbg h LEU 79 Cb 0.48 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2qbg h LEU 79 CO -0.17 0.93 0.34 0.11 0.09 0.00 0.00 178.44 179.74 2qbg h LYS 80 N 0.52 0.85 0.31 1.13 1.57 -0.29 0.14 116.57 120.79 2qbg h LYS 80 Ca 0.06 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2qbg h LYS 80 Cb 0.83 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2qbg h LYS 80 CO 0.07 0.64 -0.15 0.87 -0.57 0.00 0.00 179.45 180.31 2qbg h LYS 81 N 0.83 -0.40 -0.69 3.15 1.57 -1.24 0.40 116.57 120.19 2qbg h LYS 81 Ca 0.22 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.13 2qbg h LYS 81 Cb 0.04 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 2qbg h LYS 81 CO -0.04 -0.12 0.29 0.00 -0.57 0.00 0.00 179.45 179.01 2qbg h ALA 82 N -0.06 0.93 0.00 3.86 0.00 -1.19 0.28 119.26 123.08 2qbg h ALA 82 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qbg h ALA 82 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qbg h ALA 82 CO 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2qbg h ALA 83 N 1.47 1.00 -0.22 0.00 0.00 -0.64 -3.47 119.26 117.40 2qbg h ALA 83 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2qbg h ALA 83 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2qbg h ALA 83 CO -0.33 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.24 2qbg n GLY 84 N 0.59 0.73 4.01 0.00 0.00 0.11 -4.70 105.19 105.93 2qbg n GLY 84 Ca 0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 2qbg n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbg s ILE 85 N -2.15 2.97 -0.21 -0.61 -4.36 0.50 -4.98 121.20 112.36 2qbg s ILE 85 Ca 0.00 -0.96 0.03 0.00 -0.26 0.00 0.00 60.65 59.47 2qbg s ILE 85 Cb 0.00 -3.00 -0.15 0.00 1.25 0.00 0.00 42.46 40.56 2qbg s ILE 85 CO 0.00 -0.00 -0.15 0.29 0.24 0.00 0.00 174.94 175.32 2qbg n LYS 86 N -1.91 0.64 -4.40 0.37 5.02 -1.26 -4.44 118.16 112.19 2qbg n LYS 86 Ca 0.08 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 2qbg n LYS 86 Cb 0.59 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 2qbg n LYS 86 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qbg s SER 87 N -5.91 2.18 0.00 4.39 0.15 -1.26 -5.06 113.70 108.19 2qbg s SER 87 Ca -0.26 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.69 2qbg s SER 87 Cb 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2qbg s SER 87 CO 0.52 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2qbg n GLY 88 N -0.76 -1.35 0.00 9.45 0.00 -1.26 -5.00 105.19 106.27 2qbg n GLY 88 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2qbg n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbg n SER 89 N 0.00 0.95 0.00 1.61 3.41 -1.17 -4.82 113.62 113.61 2qbg n SER 89 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2qbg n SER 89 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2qbg n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbg n GLY 90 N 0.02 1.57 2.64 5.00 0.00 -1.26 -4.44 105.19 108.71 2qbg n GLY 90 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qbg n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbg n LYS 91 N 0.00 2.66 -1.29 1.61 4.01 -1.26 -5.09 118.16 118.80 2qbg n LYS 91 Ca 0.00 -4.62 -0.38 0.00 -0.51 0.00 0.00 58.31 52.80 2qbg n LYS 91 Cb 0.00 -2.31 0.03 0.00 -0.51 0.00 0.00 35.03 32.24 2qbg n LYS 91 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2qbg n PRO 92 N 1.22 0.19 0.00 1.97 -0.02 -1.26 -2.01 135.00 135.09 2qbg n PRO 92 Ca 0.27 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2qbg n PRO 92 Cb 0.39 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2qbg n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qbg n ASN 93 N 1.54 0.00 -0.04 2.55 5.03 -1.26 -4.57 115.26 118.51 2qbg n ASN 93 Ca 0.08 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.40 2qbg n ASN 93 Cb 0.49 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.13 2qbg n ASN 93 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2qbg h LYS 94 N 0.00 0.06 -4.21 3.52 3.64 -1.81 -3.44 116.57 114.33 2qbg h LYS 94 Ca 0.00 -0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.81 2qbg h LYS 94 Cb 0.00 0.01 -0.37 0.00 -0.41 0.00 0.00 32.23 31.47 2qbg h LYS 94 CO 0.00 0.77 -0.80 0.34 -2.27 0.00 0.00 179.45 177.49 2qbg s ASP 95 N -6.03 2.08 -0.07 4.20 2.15 -1.08 -5.12 116.67 112.78 2qbg s ASP 95 Ca -0.17 -0.28 -0.22 0.00 0.43 0.00 0.00 52.55 52.31 2qbg s ASP 95 Cb 0.00 -0.80 -0.04 0.00 -0.30 0.00 0.00 42.92 41.78 2qbg s ASP 95 CO 0.70 -0.11 0.66 -1.59 -0.17 0.00 0.00 175.17 174.66 2qbg s LYS 96 N 1.62 4.42 0.02 4.34 -2.85 -1.26 -4.64 119.74 121.38 2qbg s LYS 96 Ca 0.03 0.80 0.22 0.00 -1.00 0.00 0.00 55.97 56.02 2qbg s LYS 96 Cb -0.13 -3.44 -0.26 0.00 -2.06 0.00 0.00 37.83 31.94 2qbg s LYS 96 CO -0.07 0.09 0.63 1.33 0.10 0.00 0.00 175.35 177.42 2qbg n VAL 97 N 3.74 0.13 -3.83 1.79 0.24 -1.03 -5.03 118.33 114.33 2qbg n VAL 97 Ca -0.02 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 2qbg n VAL 97 Cb 0.51 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.88 2qbg n VAL 97 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qbg s GLY 98 N -4.39 0.30 0.03 7.63 0.00 -1.26 -4.99 107.32 104.65 2qbg s GLY 98 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 2qbg s GLY 98 CO 0.88 -0.29 -0.01 -1.59 0.00 0.00 0.00 173.10 172.10 2qbg s LYS 99 N -2.73 0.46 -0.03 2.90 0.00 -1.26 -1.83 119.74 117.25 2qbg s LYS 99 Ca 0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 55.97 55.26 2qbg s LYS 99 Cb -0.05 0.16 0.02 0.00 0.00 0.00 0.00 37.83 37.97 2qbg s LYS 99 CO 0.11 -0.09 0.07 0.42 0.00 0.00 0.00 175.35 175.86 2qbg s ILE 100 N -2.49 -0.04 0.51 3.79 1.01 0.10 -4.44 121.20 119.65 2qbg s ILE 100 Ca -0.06 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 2qbg s ILE 100 Cb -0.02 -0.13 -0.07 0.00 0.01 0.00 0.00 42.46 42.25 2qbg s ILE 100 CO -0.05 0.05 1.13 -0.94 0.00 0.00 0.00 174.94 175.13 2qbg s SER 101 N 0.73 5.97 0.58 3.58 1.04 -1.26 -2.33 113.70 122.00 2qbg s SER 101 Ca -0.06 2.18 0.28 0.00 0.48 0.00 0.00 55.95 58.83 2qbg s SER 101 Cb -0.08 -2.58 1.58 0.00 0.10 0.00 0.00 66.02 65.04 2qbg s SER 101 CO -0.03 -1.05 2.05 0.03 0.98 0.00 0.00 173.24 175.22 2qbg h ARG 102 N 1.54 0.00 -0.26 4.02 2.47 -1.73 -0.61 114.38 119.80 2qbg h ARG 102 Ca -0.50 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.14 2qbg h ARG 102 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2qbg h ARG 102 CO 0.58 0.00 -0.16 0.00 0.56 0.00 0.00 179.97 180.95 2qbg h ALA 103 N 1.71 0.37 -0.41 0.04 0.00 -1.89 -2.96 119.26 116.13 2qbg h ALA 103 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2qbg h ALA 103 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2qbg h ALA 103 CO -0.00 0.27 0.26 1.96 0.00 0.00 0.00 179.25 181.74 2qbg h GLN 104 N 0.29 0.52 -0.94 0.00 4.20 -1.48 -2.20 115.11 115.50 2qbg h GLN 104 Ca 0.05 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.84 2qbg h GLN 104 Cb 0.69 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 2qbg h GLN 104 CO 0.04 0.34 0.60 -0.07 -0.67 0.00 0.00 178.83 179.08 2qbg h LEU 105 N 0.54 0.85 -0.99 1.46 3.38 -1.49 0.24 115.31 119.30 2qbg h LEU 105 Ca 0.15 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2qbg h LEU 105 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2qbg h LEU 105 CO -0.04 0.48 -0.00 1.56 0.09 0.00 0.00 178.44 180.53 2qbg h GLN 106 N 0.93 0.73 -0.35 1.13 4.20 -1.25 0.45 115.11 120.95 2qbg h GLN 106 Ca 0.45 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 2qbg h GLN 106 Cb 0.45 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2qbg h GLN 106 CO -0.21 0.74 -0.23 0.93 -0.67 0.00 0.00 178.83 179.40 2qbg h GLU 107 N 0.68 0.78 -0.24 1.46 5.08 -0.19 -0.19 114.58 121.97 2qbg h GLU 107 Ca 0.14 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2qbg h GLU 107 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qbg h GLU 107 CO 0.02 0.99 -0.39 0.82 -1.00 0.00 0.00 179.01 179.44 2qbg h ILE 108 N 0.56 1.30 -0.01 3.13 2.04 -0.29 -1.45 117.51 122.79 2qbg h ILE 108 Ca 0.07 -1.55 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 2qbg h ILE 108 Cb 0.79 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2qbg h ILE 108 CO 0.06 0.49 -0.40 0.00 0.00 0.00 0.00 178.15 178.31 2qbg h ALA 109 N 1.11 1.33 -0.01 1.87 0.00 0.07 0.10 119.26 123.73 2qbg h ALA 109 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2qbg h ALA 109 Cb 0.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2qbg h ALA 109 CO 0.08 0.50 -0.76 0.37 0.00 0.00 0.00 179.25 179.44 2qbg h GLN 110 N 0.02 0.07 0.00 0.00 5.75 -0.55 0.52 115.11 120.92 2qbg h GLN 110 Ca -0.00 -0.07 -0.19 0.00 -0.15 0.00 0.00 58.65 58.24 2qbg h GLN 110 Cb 0.71 0.02 0.02 0.00 1.07 0.00 0.00 27.48 29.29 2qbg h GLN 110 CO 0.05 0.80 -0.73 1.15 -2.65 0.00 0.00 178.83 177.45 2qbg h THR 111 N 0.04 1.39 0.00 2.39 2.02 -0.66 -3.21 112.91 114.88 2qbg h THR 111 Ca -0.02 -2.13 0.00 0.00 0.77 0.00 0.00 66.41 65.03 2qbg h THR 111 Cb 1.34 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 2qbg h THR 111 CO 0.11 0.63 -0.00 0.29 0.37 0.00 0.00 175.52 176.91 2qbg n LYS 112 N -4.12 0.21 -0.31 6.66 4.76 -0.03 -4.14 118.16 121.19 2qbg n LYS 112 Ca -0.11 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.64 2qbg n LYS 112 Cb 0.73 -1.74 0.28 0.00 -1.84 0.00 0.00 35.03 32.46 2qbg n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbg n ALA 113 N -1.73 0.48 -0.36 7.82 0.00 0.17 0.06 120.51 126.96 2qbg n ALA 113 Ca 0.06 0.96 0.04 0.00 0.00 0.00 0.00 53.44 54.51 2qbg n ALA 113 Cb 0.41 -0.72 0.21 0.00 0.00 0.00 0.00 19.45 19.36 2qbg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 114 N 1.80 1.47 -0.00 0.00 0.00 -1.80 -2.51 119.26 118.21 2qbg h ALA 114 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2qbg h ALA 114 Cb 1.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2qbg h ALA 114 CO -0.84 0.35 -0.68 -0.25 0.00 0.00 0.00 179.25 177.83 2qbg n ASP 115 N -4.54 1.00 -4.88 0.00 8.00 0.11 -4.94 116.55 111.30 2qbg n ASP 115 Ca 0.16 -0.83 -0.32 0.00 0.71 0.00 0.00 54.79 54.51 2qbg n ASP 115 Cb 0.25 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 41.89 2qbg n ASP 115 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qbg s MET 116 N -2.87 3.73 0.03 -1.24 -1.94 -0.18 -4.99 119.30 111.84 2qbg s MET 116 Ca 0.12 0.12 0.26 0.00 -1.71 0.00 0.00 55.69 54.49 2qbg s MET 116 Cb 0.17 -2.80 0.73 0.00 2.01 0.00 0.00 34.83 34.95 2qbg s MET 116 CO 0.73 0.42 1.58 -2.37 -0.01 0.00 0.00 175.02 175.38 2qbg n THR 117 N 0.16 0.07 -1.42 2.05 5.66 -1.26 -4.88 114.28 114.66 2qbg n THR 117 Ca -0.02 -0.05 -0.56 0.00 -3.05 0.00 0.00 64.05 60.37 2qbg n THR 117 Cb 0.52 -0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 69.15 2qbg n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbg n GLY 118 N 1.47 -0.10 0.18 1.09 0.00 -1.26 -4.86 105.19 101.71 2qbg n GLY 118 Ca 0.06 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.68 2qbg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg h ALA 119 N 3.33 0.23 -1.95 4.61 0.00 -1.95 -3.46 119.26 120.07 2qbg h ALA 119 Ca -0.43 -0.52 -0.53 0.00 0.00 0.00 0.00 54.91 53.44 2qbg h ALA 119 Cb 1.26 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 2qbg h ALA 119 CO 0.69 0.44 -0.63 0.16 0.00 0.00 0.00 179.25 179.90 2qbg s ASP 120 N -6.74 2.93 0.35 0.00 1.47 -1.26 -5.05 116.67 108.37 2qbg s ASP 120 Ca -0.12 -1.31 0.03 0.00 1.18 0.00 0.00 52.55 52.33 2qbg s ASP 120 Cb 0.06 -0.20 0.66 0.00 -0.34 0.00 0.00 42.92 43.10 2qbg s ASP 120 CO 0.84 -0.47 1.98 0.16 0.68 0.00 0.00 175.17 178.36 2qbg h ILE 121 N 2.07 1.10 -0.25 2.11 -2.65 -2.00 -2.31 117.51 115.59 2qbg h ILE 121 Ca -0.41 -0.29 0.03 0.00 1.03 0.00 0.00 64.86 65.22 2qbg h ILE 121 Cb 1.24 0.18 -0.03 0.00 -2.05 0.00 0.00 36.82 36.16 2qbg h ILE 121 CO 0.72 0.15 0.06 -0.33 0.03 0.00 0.00 178.15 178.78 2qbg h GLU 122 N 0.85 0.15 0.06 0.16 3.07 -1.99 0.11 114.58 117.00 2qbg h GLU 122 Ca 0.28 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2qbg h GLU 122 Cb 0.07 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2qbg h GLU 122 CO -0.08 0.10 -0.10 0.00 -1.40 0.00 0.00 179.01 177.53 2qbg h ALA 123 N 1.17 -0.16 -0.73 3.43 0.00 -1.83 -0.98 119.26 120.17 2qbg h ALA 123 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qbg h ALA 123 Cb 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2qbg h ALA 123 CO -0.14 -0.61 0.48 0.52 0.00 0.00 0.00 179.25 179.50 2qbg h MET 124 N -0.20 0.94 -0.62 0.00 2.86 -1.21 -0.23 114.93 116.47 2qbg h MET 124 Ca 0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2qbg h MET 124 Cb 0.22 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2qbg h MET 124 CO -0.06 0.62 0.39 1.15 1.06 0.00 0.00 176.91 180.08 2qbg h THR 125 N 0.97 1.17 -0.39 2.22 2.02 -0.49 -2.58 112.91 115.84 2qbg h THR 125 Ca 0.27 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2qbg h THR 125 Cb -0.09 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2qbg h THR 125 CO -0.07 0.17 -0.30 -0.09 0.37 0.00 0.00 175.52 175.61 2qbg h ARG 126 N 0.84 0.84 -0.97 6.66 2.43 -0.80 -1.88 114.38 121.50 2qbg h ARG 126 Ca 0.22 -0.38 0.17 0.00 -0.81 0.00 0.00 59.98 59.18 2qbg h ARG 126 Cb -0.06 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.39 2qbg h ARG 126 CO -0.05 1.02 0.61 0.77 -1.51 0.00 0.00 179.97 180.81 2qbg h SER 127 N 0.71 0.74 0.77 -3.80 0.02 -0.66 0.88 113.55 112.22 2qbg h SER 127 Ca 0.08 0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.85 2qbg h SER 127 Cb 0.84 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2qbg h SER 127 CO 0.07 0.32 -1.15 0.40 -1.14 0.00 0.00 176.83 175.33 2qbg h ILE 128 N 0.75 1.58 -0.57 3.27 2.04 -1.29 -3.20 117.51 120.09 2qbg h ILE 128 Ca 0.52 -3.20 0.03 0.00 1.00 0.00 0.00 64.86 63.20 2qbg h ILE 128 Cb 0.82 2.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.77 2qbg h ILE 128 CO -0.29 0.93 0.38 -0.33 0.00 0.00 0.00 178.15 178.83 2qbg h GLU 129 N 0.04 0.67 0.00 2.37 5.08 -0.06 0.22 114.58 122.90 2qbg h GLU 129 Ca -0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2qbg h GLU 129 Cb 1.89 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 2qbg h GLU 129 CO 0.17 0.44 -0.30 0.78 -1.00 0.00 0.00 179.01 179.10 2qbg h GLY 130 N 0.69 0.00 1.55 -3.84 0.00 -1.08 -0.37 103.07 100.01 2qbg h GLY 130 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.30 2qbg h GLY 130 CO -0.06 0.00 -1.10 -0.91 0.00 0.00 0.00 176.54 174.47 2qbg h THR 131 N 0.00 1.43 -0.18 4.70 1.35 -0.72 -3.03 112.91 116.46 2qbg h THR 131 Ca -0.00 -2.70 -0.04 0.00 -0.55 0.00 0.00 66.41 63.13 2qbg h THR 131 Cb 0.63 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 2qbg h THR 131 CO 0.04 0.80 -0.03 0.00 -0.25 0.00 0.00 175.52 176.08 2qbg h ALA 132 N 0.62 0.25 0.00 6.62 0.00 -0.34 -2.01 119.26 124.40 2qbg h ALA 132 Ca -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qbg h ALA 132 Cb 1.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2qbg h ALA 132 CO 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 2qbg h ARG 133 N 0.06 0.00 0.00 0.00 3.08 -1.16 0.15 114.38 116.51 2qbg h ARG 133 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qbg h ARG 133 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2qbg h ARG 133 CO 0.01 0.01 -0.58 0.77 -1.07 0.00 0.00 179.97 179.12 2qbg h SER 134 N 0.00 0.00 0.01 7.04 0.02 -1.32 -3.27 113.55 116.03 2qbg h SER 134 Ca -0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2qbg h SER 134 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2qbg h SER 134 CO 0.00 0.07 -0.39 0.23 -1.14 0.00 0.00 176.83 175.60 2qbg n MET 135 N -2.32 1.32 -1.55 3.45 2.81 0.39 -4.69 117.12 116.53 2qbg n MET 135 Ca 0.03 -1.06 -0.02 0.00 -1.81 0.00 0.00 57.70 54.84 2qbg n MET 135 Cb 0.47 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2qbg n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbg n GLY 136 N 1.40 0.40 3.39 3.03 0.00 -0.65 -3.04 105.19 109.72 2qbg n GLY 136 Ca 0.10 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 2qbg n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 137 N -0.40 4.42 0.62 0.99 1.43 -0.39 -2.48 118.68 122.88 2qbg s LEU 137 Ca 0.00 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 2qbg s LEU 137 Cb 0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2qbg s LEU 137 CO 0.00 -0.30 1.04 -0.69 0.23 0.00 0.00 176.35 176.63 2qbg s VAL 138 N 1.56 4.14 -0.15 -1.59 1.01 -0.76 -4.07 120.40 120.54 2qbg s VAL 138 Ca 0.03 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2qbg s VAL 138 Cb -0.18 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2qbg s VAL 138 CO 0.06 -0.75 -0.06 -0.69 0.00 0.00 0.00 175.10 173.66 2qbg s VAL 139 N -2.79 1.08 -0.25 2.92 1.01 -1.26 0.03 120.40 121.14 2qbg s VAL 139 Ca 0.60 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2qbg s VAL 139 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qbg s VAL 139 CO 0.45 0.19 0.13 -1.83 0.00 0.00 0.00 175.10 174.04 2qbg s GLU 140 N 1.66 3.90 0.00 2.72 1.03 -0.98 -4.86 118.70 122.17 2qbg s GLU 140 Ca 0.02 -0.35 0.28 0.00 0.03 0.00 0.00 54.97 54.94 2qbg s GLU 140 Cb -0.15 -3.48 1.67 0.00 -0.80 0.00 0.00 34.13 31.38 2qbg s GLU 140 CO -0.08 -0.06 2.01 -3.47 -1.33 0.00 0.00 175.26 172.33