#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n LYS 2 N 0.00 1.26 -2.08 0.00 5.02 -1.26 -5.07 118.16 116.03 2qbi n LYS 2 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2qbi n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2qbi n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2qbi s LYS 3 N 1.26 2.82 -0.07 1.97 2.20 -1.26 -4.93 119.74 121.72 2qbi s LYS 3 Ca 0.00 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 2qbi s LYS 3 Cb 0.00 -4.33 -0.06 0.00 -1.51 0.00 0.00 37.83 31.94 2qbi s LYS 3 CO 0.00 -2.50 1.75 0.54 -0.36 0.00 0.00 175.35 174.79 2qbi s VAL 4 N 8.35 3.44 0.43 4.02 0.11 -1.26 -4.99 120.40 130.50 2qbi s VAL 4 Ca 0.67 0.52 0.07 0.00 -2.93 0.00 0.00 61.98 60.31 2qbi s VAL 4 Cb -0.14 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2qbi s VAL 4 CO 0.23 -0.08 0.22 -1.58 -3.33 0.00 0.00 175.10 170.56 2qbi s GLN 5 N 4.38 2.26 -0.35 1.54 0.74 -1.26 -5.05 119.66 121.93 2qbi s GLN 5 Ca 0.78 -1.84 -0.28 0.00 0.05 0.00 0.00 55.36 54.07 2qbi s GLN 5 Cb -0.34 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 2qbi s GLN 5 CO 0.32 -0.18 2.06 0.00 -0.55 0.00 0.00 175.29 176.95 2qbi s ALA 6 N -2.61 2.52 0.16 1.58 0.00 -1.26 -4.92 121.76 117.23 2qbi s ALA 6 Ca 0.40 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 2qbi s ALA 6 Cb 0.02 -4.13 0.02 0.00 0.00 0.00 0.00 23.12 19.04 2qbi s ALA 6 CO 0.22 -3.16 0.41 1.52 0.00 0.00 0.00 175.76 174.76 2qbi s TYR 7 N 8.59 -0.02 0.01 0.00 -0.85 -1.26 -3.02 117.35 120.81 2qbi s TYR 7 Ca 0.89 -0.33 0.08 0.00 -0.52 0.00 0.00 57.07 57.19 2qbi s TYR 7 Cb -0.24 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2qbi s TYR 7 CO 0.31 -0.78 -0.26 0.14 -1.52 0.00 0.00 175.55 173.44 2qbi s VAL 8 N -3.87 2.04 -0.02 -3.49 -7.23 0.58 -4.99 120.40 103.43 2qbi s VAL 8 Ca 0.09 -1.23 0.06 0.00 -1.81 0.00 0.00 61.98 59.09 2qbi s VAL 8 Cb 0.01 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2qbi s VAL 8 CO -0.06 0.46 -0.19 -1.59 -0.31 0.00 0.00 175.10 173.41 2qbi s LYS 9 N -0.91 2.26 -0.09 4.82 -2.85 -1.26 -0.42 119.74 121.28 2qbi s LYS 9 Ca 0.11 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 2qbi s LYS 9 Cb -0.10 -2.22 0.10 0.00 -2.06 0.00 0.00 37.83 33.56 2qbi s LYS 9 CO 0.01 0.58 0.87 -0.48 0.10 0.00 0.00 175.35 176.43 2qbi s LEU 10 N -0.88 -0.46 -0.38 2.77 0.05 -0.89 -5.02 118.68 113.88 2qbi s LEU 10 Ca 0.12 0.40 -0.09 0.00 0.05 0.00 0.00 54.13 54.61 2qbi s LEU 10 Cb -0.10 2.11 0.05 0.00 -2.05 0.00 0.00 46.19 46.19 2qbi s LEU 10 CO 0.01 -0.49 0.19 0.00 -0.55 0.00 0.00 176.35 175.51 2qbi s GLN 11 N -1.61 2.67 0.11 1.48 -2.07 -1.26 -0.40 119.66 118.58 2qbi s GLN 11 Ca -0.03 -1.24 0.06 0.00 -1.82 0.00 0.00 55.36 52.33 2qbi s GLN 11 Cb -0.00 -3.66 -0.04 0.00 -1.09 0.00 0.00 33.01 28.22 2qbi s GLN 11 CO 0.01 -0.78 -0.05 0.14 -1.32 0.00 0.00 175.29 173.30 2qbi s VAL 12 N 1.46 3.67 0.98 3.63 -7.23 -1.14 -4.88 120.40 116.89 2qbi s VAL 12 Ca 0.01 -1.19 -0.15 0.00 -1.81 0.00 0.00 61.98 58.85 2qbi s VAL 12 Cb -0.21 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2qbi s VAL 12 CO 0.04 0.08 0.05 0.00 -0.31 0.00 0.00 175.10 174.96 2qbi n ALA 13 N 0.52 -3.48 -1.00 1.32 0.00 -1.26 -2.14 120.51 114.47 2qbi n ALA 13 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2qbi n ALA 13 Cb 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qbi n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 14 N -3.50 0.00 -3.24 0.00 0.00 -1.24 -4.25 120.51 108.28 2qbi n ALA 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2qbi n ALA 14 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2qbi n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 15 N -0.41 4.65 0.00 0.00 0.00 -1.26 -4.56 105.19 103.60 2qbi n GLY 15 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 2qbi n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2qbi n MET 16 N 1.95 0.00 -3.87 1.61 0.00 -1.26 -5.06 117.12 110.48 2qbi n MET 16 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.93 2qbi n MET 16 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.60 2qbi n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbi s ALA 17 N -0.42 -1.80 0.00 -5.12 0.00 -1.26 -4.32 121.76 108.84 2qbi s ALA 17 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2qbi s ALA 17 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2qbi s ALA 17 CO 0.00 -1.08 0.00 -1.71 0.00 0.00 0.00 175.76 172.97 2qbi n ASN 18 N -1.08 0.00 -4.77 0.00 5.15 -1.26 -4.98 115.26 108.31 2qbi n ASN 18 Ca -0.02 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 2qbi n ASN 18 Cb 0.60 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.83 2qbi n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qbi s PRO 19 N -0.97 4.23 0.09 1.20 0.04 -1.26 -4.56 135.00 133.76 2qbi s PRO 19 Ca 0.00 2.39 -0.35 0.00 0.04 0.00 0.00 61.00 63.09 2qbi s PRO 19 Cb 0.00 -3.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.36 2qbi s PRO 19 CO 0.00 -0.37 1.58 1.03 0.04 0.00 0.00 177.00 179.28 2qbi h SER 20 N 3.28 -1.26 0.09 6.66 0.87 -1.98 -1.30 113.55 119.91 2qbi h SER 20 Ca -0.50 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2qbi h SER 20 Cb 1.23 0.42 -0.05 0.00 -0.44 0.00 0.00 62.40 63.56 2qbi h SER 20 CO 0.65 -0.63 -0.40 -0.65 -0.53 0.00 0.00 176.83 175.27 2qbi h PRO 21 N -0.96 -0.59 0.57 2.24 0.11 -1.99 -3.22 132.00 128.17 2qbi h PRO 21 Ca -0.05 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2qbi h PRO 21 Cb 0.83 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2qbi h PRO 21 CO -0.05 -0.39 -0.36 -1.35 -0.21 0.00 0.00 178.00 175.64 2qbi h PRO 22 N -0.61 -0.84 0.00 1.05 0.11 -1.96 -3.46 132.00 126.29 2qbi h PRO 22 Ca 0.03 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qbi h PRO 22 Cb 0.65 0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qbi h PRO 22 CO -0.25 -0.56 0.00 1.33 -0.21 0.00 0.00 178.00 178.31 2qbi n VAL 23 N -4.61 0.00 0.00 3.15 0.24 -0.49 -4.78 118.33 111.84 2qbi n VAL 23 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2qbi n VAL 23 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2qbi n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbi n GLY 24 N 5.00 1.55 0.53 7.63 0.00 -1.20 -1.50 105.19 117.21 2qbi n GLY 24 Ca 0.00 0.56 0.37 0.00 0.00 0.00 0.00 46.02 46.95 2qbi n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbi h PRO 25 N 0.00 0.09 -0.00 1.61 0.11 -1.88 0.90 132.00 132.82 2qbi h PRO 25 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qbi h PRO 25 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2qbi h PRO 25 CO 0.00 0.06 -0.10 0.00 -0.21 0.00 0.00 178.00 177.75 2qbi h ALA 26 N 1.40 -0.57 0.00 -0.75 0.00 -1.52 -2.79 119.26 115.04 2qbi h ALA 26 Ca 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2qbi h ALA 26 Cb 2.49 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.89 2qbi h ALA 26 CO -0.14 -0.60 -0.72 1.47 0.00 0.00 0.00 179.25 179.26 2qbi n LEU 27 N -3.07 0.63 0.20 0.00 -0.00 -0.97 -4.05 117.00 109.73 2qbi n LEU 27 Ca -0.01 0.09 0.07 0.00 -0.00 0.00 0.00 56.01 56.15 2qbi n LEU 27 Cb 0.07 -0.17 0.59 0.00 -0.00 0.00 0.00 43.42 43.91 2qbi n LEU 27 CO 0.02 0.02 1.09 1.23 -0.00 0.00 0.00 177.39 179.76 2qbi h GLY 28 N 4.65 0.14 1.22 1.47 0.00 0.96 -1.73 103.07 109.79 2qbi h GLY 28 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2qbi h GLY 28 CO 0.00 0.05 0.27 1.46 0.00 0.00 0.00 176.54 178.32 2qbi h GLN 29 N 0.13 0.99 0.00 4.80 1.08 -1.64 -1.53 115.11 118.95 2qbi h GLN 29 Ca 0.04 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2qbi h GLN 29 Cb -0.01 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 2qbi h GLN 29 CO -0.01 0.81 0.00 1.96 -0.95 0.00 0.00 178.83 180.65 2qbi h GLN 30 N 0.98 0.00 0.00 1.46 1.08 -1.57 -3.45 115.11 113.61 2qbi h GLN 30 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2qbi h GLN 30 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2qbi h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qbi n GLY 31 N -0.53 1.41 3.80 3.46 0.00 -0.58 -4.98 105.19 107.78 2qbi n GLY 31 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2qbi n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbi s VAL 32 N -2.00 3.84 -1.04 1.61 1.01 -1.17 -4.79 120.40 117.86 2qbi s VAL 32 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 2qbi s VAL 32 Cb 0.00 -3.43 0.19 0.00 0.00 0.00 0.00 36.38 33.14 2qbi s VAL 32 CO 0.00 -0.40 1.17 0.20 0.00 0.00 0.00 175.10 176.07 2qbi s ASN 33 N -2.44 6.94 0.20 3.32 0.01 -1.26 -4.72 114.94 117.00 2qbi s ASN 33 Ca 0.65 -2.79 -0.18 0.00 -0.71 0.00 0.00 52.86 49.83 2qbi s ASN 33 Cb -0.16 -2.33 0.19 0.00 0.41 0.00 0.00 41.25 39.36 2qbi s ASN 33 CO 0.29 -0.72 1.59 0.40 -1.51 0.00 0.00 177.10 177.15 2qbi h ILE 34 N 4.82 0.19 -0.57 0.60 1.08 -1.94 -1.00 117.51 120.69 2qbi h ILE 34 Ca 0.21 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.79 2qbi h ILE 34 Cb 0.95 0.19 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 2qbi h ILE 34 CO 1.07 0.00 0.07 -0.03 -0.69 0.00 0.00 178.15 178.57 2qbi h MET 35 N -0.10 0.18 -0.17 2.37 4.05 -1.97 0.56 114.93 119.86 2qbi h MET 35 Ca 0.28 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2qbi h MET 35 Cb 0.55 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 2qbi h MET 35 CO -0.72 0.12 0.03 1.49 0.23 0.00 0.00 176.91 178.06 2qbi h GLU 36 N 0.19 0.28 0.07 0.39 4.81 -1.65 -3.08 114.58 115.59 2qbi h GLU 36 Ca 0.30 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2qbi h GLU 36 Cb 0.45 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2qbi h GLU 36 CO -0.42 0.44 -0.03 0.35 -0.73 0.00 0.00 179.01 178.61 2qbi h PHE 37 N 0.07 -0.09 -0.63 0.92 3.57 -0.73 0.16 116.94 120.21 2qbi h PHE 37 Ca 0.05 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2qbi h PHE 37 Cb 0.30 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.97 2qbi h PHE 37 CO 0.02 0.06 0.10 0.00 -2.23 0.00 0.00 178.31 176.25 2qbi h LYS 39 N 0.22 0.38 -0.24 0.00 3.64 -1.47 -2.79 116.57 116.31 2qbi h LYS 39 Ca 0.34 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2qbi h LYS 39 Cb 0.54 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2qbi h LYS 39 CO -0.46 1.05 -0.24 0.00 -2.27 0.00 0.00 179.45 177.53 2qbi h ALA 40 N 0.83 0.36 0.47 5.00 0.00 0.62 -2.68 119.26 123.86 2qbi h ALA 40 Ca -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2qbi h ALA 40 Cb 1.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qbi h ALA 40 CO 0.15 0.33 -0.23 0.35 0.00 0.00 0.00 179.25 179.85 2qbi h PHE 41 N 0.30 -0.59 -0.81 0.00 3.57 0.13 -2.99 116.94 116.55 2qbi h PHE 41 Ca 0.04 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.76 2qbi h PHE 41 Cb 0.79 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2qbi h PHE 41 CO 0.08 -0.37 0.69 -0.91 -2.23 0.00 0.00 178.31 175.57 2qbi h ASN 42 N -0.72 0.00 0.48 0.41 2.35 -1.62 -1.04 115.58 115.44 2qbi h ASN 42 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2qbi h ASN 42 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2qbi h ASN 42 CO 0.11 0.00 -0.46 0.00 -1.65 0.00 0.00 177.43 175.43 2qbi h ALA 43 N 1.39 -1.13 0.00 -0.83 0.00 -1.31 -2.53 119.26 114.84 2qbi h ALA 43 Ca 0.39 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2qbi h ALA 43 Cb 1.76 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 2qbi h ALA 43 CO -0.00 -1.15 -0.48 -0.22 0.00 0.00 0.00 179.25 177.40 2qbi h LYS 44 N -0.92 0.00 -0.32 0.00 3.64 -1.45 -3.31 116.57 114.20 2qbi h LYS 44 Ca -0.06 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2qbi h LYS 44 Cb 0.80 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2qbi h LYS 44 CO -0.04 0.27 -0.04 1.15 -2.27 0.00 0.00 179.45 178.51 2qbi h THR 45 N 0.00 1.21 -0.53 1.00 2.02 -1.15 -1.43 112.91 114.03 2qbi h THR 45 Ca -0.02 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2qbi h THR 45 Cb 1.24 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 2qbi h THR 45 CO 0.04 0.29 0.31 0.44 0.37 0.00 0.00 175.52 176.97 2qbi h ASP 46 N 0.49 0.64 -0.01 4.18 3.32 -1.54 0.43 116.42 123.93 2qbi h ASP 46 Ca 0.10 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qbi h ASP 46 Cb 0.38 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qbi h ASP 46 CO 0.02 0.51 -0.00 -1.28 -1.72 0.00 0.00 179.24 176.77 2qbi h SER 47 N 0.70 0.01 0.26 6.45 0.87 -1.66 -3.27 113.55 116.92 2qbi h SER 47 Ca 0.19 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2qbi h SER 47 Cb 0.00 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2qbi h SER 47 CO -0.03 0.35 -0.44 0.40 -0.53 0.00 0.00 176.83 176.58 2qbi h ILE 48 N -0.33 0.12 0.00 2.23 2.04 -1.11 -3.46 117.51 117.00 2qbi h ILE 48 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2qbi h ILE 48 Cb 0.35 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2qbi h ILE 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2qbi n GLU 49 N -5.49 0.00 -4.07 2.37 0.28 0.13 -5.10 120.64 108.75 2qbi n GLU 49 Ca -0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.63 2qbi n GLU 49 Cb 0.40 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.21 2qbi n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2qbi s LYS 50 N -0.14 2.85 0.00 3.44 1.02 -1.26 -4.50 119.74 121.16 2qbi s LYS 50 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2qbi s LYS 50 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 2qbi s LYS 50 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 2qbi n GLY 51 N 0.09 1.67 3.22 -3.33 0.00 -1.26 -5.02 105.19 100.57 2qbi n GLY 51 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2qbi n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbi s LEU 52 N 0.00 2.60 -0.05 0.99 1.02 -1.26 -4.88 118.68 117.09 2qbi s LEU 52 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.13 53.30 2qbi s LEU 52 Cb 0.00 -1.62 -0.09 0.00 0.02 0.00 0.00 46.19 44.49 2qbi s LEU 52 CO 0.00 -0.02 1.99 -2.65 0.02 0.00 0.00 176.35 175.69 2qbi n PRO 53 N 4.71 2.48 -4.23 1.29 -0.02 -1.26 -3.69 135.00 134.28 2qbi n PRO 53 Ca -0.19 0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 2qbi n PRO 53 Cb 0.50 -2.91 -0.14 0.00 -0.02 0.00 0.00 33.50 30.93 2qbi n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qbi s ILE 54 N 4.95 3.05 -0.00 4.25 1.01 -0.91 -4.42 121.20 129.13 2qbi s ILE 54 Ca 0.92 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2qbi s ILE 54 Cb -0.52 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2qbi s ILE 54 CO 0.45 0.48 1.17 -2.16 0.00 0.00 0.00 174.94 174.88 2qbi s PRO 55 N 1.07 4.41 0.09 2.79 0.04 -1.26 -2.88 135.00 139.24 2qbi s PRO 55 Ca 0.00 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.81 2qbi s PRO 55 Cb -0.15 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2qbi s PRO 55 CO -0.02 -0.33 -0.24 0.54 0.04 0.00 0.00 177.00 176.99 2qbi s VAL 56 N 1.63 2.00 -0.45 -0.36 0.11 0.46 -3.53 120.40 120.28 2qbi s VAL 56 Ca 0.56 -1.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.02 2qbi s VAL 56 Cb -0.26 -1.76 0.11 0.00 -1.53 0.00 0.00 36.38 32.94 2qbi s VAL 56 CO 0.25 0.15 0.30 -0.69 -3.33 0.00 0.00 175.10 171.78 2qbi s VAL 57 N -0.96 4.03 -0.14 2.04 1.01 -1.19 -2.10 120.40 123.08 2qbi s VAL 57 Ca 0.11 -1.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.06 2qbi s VAL 57 Cb -0.10 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2qbi s VAL 57 CO 0.04 -0.69 0.96 -0.63 0.00 0.00 0.00 175.10 174.77 2qbi s ILE 58 N 1.33 4.80 -0.35 2.22 1.09 0.44 -3.22 121.20 127.51 2qbi s ILE 58 Ca 0.05 1.92 -0.04 0.00 -1.10 0.00 0.00 60.65 61.48 2qbi s ILE 58 Cb -0.25 -4.26 0.07 0.00 -1.06 0.00 0.00 42.46 36.96 2qbi s ILE 58 CO -0.01 -0.01 0.11 -0.89 -0.10 0.00 0.00 174.94 174.04 2qbi s THR 59 N 2.19 3.41 0.17 2.92 2.01 0.17 -0.31 115.64 126.20 2qbi s THR 59 Ca 0.45 -1.49 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 2qbi s THR 59 Cb -0.17 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 2qbi s THR 59 CO 0.15 -0.32 0.57 -0.69 -0.69 0.00 0.00 174.62 173.63 2qbi s VAL 60 N 1.28 4.84 0.57 3.82 1.01 -1.17 -1.20 120.40 129.55 2qbi s VAL 60 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2qbi s VAL 60 Cb -0.21 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.50 2qbi s VAL 60 CO -0.00 0.19 0.50 -0.31 0.00 0.00 0.00 175.10 175.48 2qbi s TYR 61 N -1.52 1.43 0.44 5.22 2.02 0.13 -4.68 117.35 120.39 2qbi s TYR 61 Ca 0.40 -0.86 0.15 0.00 -0.37 0.00 0.00 57.07 56.38 2qbi s TYR 61 Cb -0.15 -1.95 1.01 0.00 -0.40 0.00 0.00 41.96 40.47 2qbi s TYR 61 CO 0.19 -0.69 1.98 0.00 -1.57 0.00 0.00 175.55 175.47 2qbi h ALA 62 N 0.57 1.65 0.00 3.71 0.00 -1.98 0.67 119.26 123.87 2qbi h ALA 62 Ca -0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qbi h ALA 62 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qbi h ALA 62 CO 0.53 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 2qbi n ASP 63 N -4.26 1.44 -0.30 0.00 8.00 -1.26 -4.78 116.55 115.39 2qbi n ASP 63 Ca -0.02 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.52 2qbi n ASP 63 Cb 0.26 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 2qbi n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2qbi n ARG 64 N 0.14 -1.77 -1.37 -1.24 -4.01 0.23 -4.87 116.66 103.76 2qbi n ARG 64 Ca 0.00 0.19 -0.18 0.00 -1.04 0.00 0.00 57.85 56.82 2qbi n ARG 64 Cb 0.30 -3.52 0.12 0.00 -3.04 0.00 0.00 32.46 26.32 2qbi n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2qbi n SER 65 N 1.48 0.23 -3.63 2.89 2.88 -1.26 -4.54 113.62 111.68 2qbi n SER 65 Ca -0.02 -1.40 -0.06 0.00 -1.33 0.00 0.00 58.87 56.07 2qbi n SER 65 Cb 0.15 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 2qbi n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qbi s PHE 66 N -2.69 -0.23 0.20 0.66 -0.12 -1.26 -0.69 117.98 113.84 2qbi s PHE 66 Ca 0.48 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.36 2qbi s PHE 66 Cb -0.02 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2qbi s PHE 66 CO 0.33 -0.70 0.11 -0.08 -0.05 0.00 0.00 175.22 174.84 2qbi s THR 67 N -3.22 0.10 -0.25 -4.49 -1.32 -0.34 -4.95 115.64 101.18 2qbi s THR 67 Ca 0.09 -1.99 -0.26 0.00 -1.21 0.00 0.00 61.69 58.32 2qbi s THR 67 Cb -0.01 -2.45 0.07 0.00 -1.51 0.00 0.00 72.50 68.60 2qbi s THR 67 CO -0.03 -0.07 0.72 0.72 -2.21 0.00 0.00 174.62 173.74 2qbi s PHE 68 N -4.08 -0.78 -0.20 9.09 -0.71 -1.26 0.43 117.98 120.47 2qbi s PHE 68 Ca 0.37 1.84 -0.05 0.00 -1.04 0.00 0.00 56.93 58.05 2qbi s PHE 68 Cb 0.07 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2qbi s PHE 68 CO 0.11 -0.40 -0.01 0.08 -1.34 0.00 0.00 175.22 173.66 2qbi s VAL 69 N 0.21 3.85 -0.41 -2.49 1.01 -1.20 -4.95 120.40 116.42 2qbi s VAL 69 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 2qbi s VAL 69 Cb -0.04 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2qbi s VAL 69 CO 0.02 0.42 0.67 -0.89 0.00 0.00 0.00 175.10 175.32 2qbi s THR 70 N 1.11 4.81 0.00 3.92 2.01 -1.26 -3.19 115.64 123.04 2qbi s THR 70 Ca 0.02 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2qbi s THR 70 Cb -0.14 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2qbi s THR 70 CO 0.01 -0.51 0.00 0.29 -0.69 0.00 0.00 174.62 173.72 2qbi n LYS 71 N 6.27 1.30 -2.66 4.92 5.02 -1.23 -5.09 118.16 126.69 2qbi n LYS 71 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2qbi n LYS 71 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2qbi n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qbi s THR 72 N 0.90 4.78 0.62 -0.18 -4.23 -1.26 -4.69 115.64 111.58 2qbi s THR 72 Ca 0.00 0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 60.95 2qbi s THR 72 Cb 0.00 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 2qbi s THR 72 CO 0.00 -0.67 1.23 -2.16 -0.54 0.00 0.00 174.62 172.48 2qbi s PRO 73 N -4.19 2.76 0.79 3.99 0.04 -1.26 -4.51 135.00 132.61 2qbi s PRO 73 Ca 0.52 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 2qbi s PRO 73 Cb -0.10 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2qbi s PRO 73 CO 0.36 -1.38 0.22 -2.30 0.04 0.00 0.00 177.00 173.94 2qbi n PRO 74 N -1.82 0.10 0.14 0.56 -0.02 -1.26 -4.80 135.00 127.91 2qbi n PRO 74 Ca 0.14 0.07 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2qbi n PRO 74 Cb 0.49 -1.61 0.20 0.00 -0.02 0.00 0.00 33.50 32.56 2qbi n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbi h ALA 75 N -0.66 1.02 -0.31 3.55 0.00 -1.98 -2.50 119.26 118.37 2qbi h ALA 75 Ca -0.44 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 53.86 2qbi h ALA 75 Cb 1.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2qbi h ALA 75 CO 0.38 0.72 -0.11 0.00 0.00 0.00 0.00 179.25 180.24 2qbi h ALA 76 N 1.42 0.44 -0.44 0.00 0.00 -1.92 -1.93 119.26 116.83 2qbi h ALA 76 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2qbi h ALA 76 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2qbi h ALA 76 CO 0.08 0.30 -0.25 -0.39 0.00 0.00 0.00 179.25 178.99 2qbi h VAL 77 N 0.40 1.27 -0.15 0.00 -1.51 -1.90 -1.61 116.25 112.75 2qbi h VAL 77 Ca 0.08 -1.40 -0.08 0.00 -1.23 0.00 0.00 66.70 64.06 2qbi h VAL 77 Cb 0.62 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 2qbi h VAL 77 CO 0.04 0.48 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.53 2qbi h LEU 78 N 0.80 0.26 -0.36 4.19 3.38 -1.42 -2.15 115.31 120.01 2qbi h LEU 78 Ca 0.10 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2qbi h LEU 78 Cb 0.81 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2qbi h LEU 78 CO 0.07 0.52 -0.82 -0.07 0.09 0.00 0.00 178.44 178.23 2qbi h LEU 79 N 0.24 0.26 -0.33 1.67 3.38 -1.16 -1.57 115.31 117.81 2qbi h LEU 79 Ca 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2qbi h LEU 79 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qbi h LEU 79 CO 0.04 0.97 0.07 0.11 0.09 0.00 0.00 178.44 179.72 2qbi h LYS 80 N 0.12 0.53 -0.35 1.13 1.57 -0.84 0.27 116.57 119.01 2qbi h LYS 80 Ca -0.04 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 2qbi h LYS 80 Cb 1.42 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 2qbi h LYS 80 CO 0.13 0.60 -0.42 1.57 -0.57 0.00 0.00 179.45 180.76 2qbi h LYS 81 N 0.37 0.90 -0.63 3.15 2.10 -1.43 0.14 116.57 121.16 2qbi h LYS 81 Ca 0.10 -0.50 -0.04 0.00 -2.00 0.00 0.00 60.65 58.21 2qbi h LYS 81 Cb 0.32 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 2qbi h LYS 81 CO 0.00 1.15 0.25 0.00 -2.00 0.00 0.00 179.45 178.85 2qbi h ALA 82 N 0.74 1.25 0.00 0.07 0.00 -1.14 -1.43 119.26 118.74 2qbi h ALA 82 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qbi h ALA 82 Cb 1.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2qbi h ALA 82 CO 0.10 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 2qbi h ALA 83 N 1.36 0.98 0.00 0.00 0.00 -0.31 -3.47 119.26 117.82 2qbi h ALA 83 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qbi h ALA 83 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qbi h ALA 83 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2qbi n GLY 84 N 1.14 0.51 3.99 0.00 0.00 0.27 -4.73 105.19 106.37 2qbi n GLY 84 Ca 0.04 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2qbi n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbi s ILE 85 N -2.00 3.93 -0.23 -0.61 -4.36 -0.04 -4.98 121.20 112.91 2qbi s ILE 85 Ca 0.00 -0.97 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 2qbi s ILE 85 Cb 0.00 -3.36 -0.18 0.00 1.25 0.00 0.00 42.46 40.17 2qbi s ILE 85 CO 0.00 -0.15 -0.08 0.29 0.24 0.00 0.00 174.94 175.24 2qbi n LYS 86 N -1.70 0.66 -4.59 0.37 5.02 -1.26 -4.31 118.16 112.35 2qbi n LYS 86 Ca 0.01 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.25 2qbi n LYS 86 Cb 0.58 -1.58 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 2qbi n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbi s SER 87 N -6.84 3.21 0.17 4.39 0.01 -1.26 -5.04 113.70 108.34 2qbi s SER 87 Ca -0.32 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.29 2qbi s SER 87 Cb 0.09 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2qbi s SER 87 CO 0.62 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2qbi n GLY 88 N -1.01 -1.79 0.10 3.44 0.00 -1.26 -5.00 105.19 99.67 2qbi n GLY 88 Ca -0.10 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 2qbi n GLY 88 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2qbi h SER 89 N -0.12 0.20 0.00 1.61 0.87 -1.73 -3.47 113.55 110.91 2qbi h SER 89 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2qbi h SER 89 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2qbi h SER 89 CO 0.00 1.30 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 2qbi n GLY 90 N 1.64 1.85 2.27 5.77 0.00 -1.26 -4.63 105.19 110.83 2qbi n GLY 90 Ca -0.17 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2qbi n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbi n LYS 91 N 0.00 1.17 -1.24 1.61 2.85 -1.26 -5.13 118.16 116.16 2qbi n LYS 91 Ca 0.00 -3.53 -0.41 0.00 -1.05 0.00 0.00 58.31 53.32 2qbi n LYS 91 Cb 0.00 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 32.73 2qbi n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2qbi n PRO 92 N 0.58 0.00 0.00 -1.58 -0.02 -1.26 -1.60 135.00 131.12 2qbi n PRO 92 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qbi n PRO 92 Cb 0.59 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2qbi n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qbi n ASN 93 N 2.09 0.00 0.16 2.55 5.03 -1.26 -4.53 115.26 119.29 2qbi n ASN 93 Ca 0.13 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.44 2qbi n ASN 93 Cb 0.33 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.01 2qbi n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2qbi h LYS 94 N 0.00 -0.39 -4.34 3.52 1.57 -1.71 -3.43 116.57 111.78 2qbi h LYS 94 Ca 0.00 0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 2qbi h LYS 94 Cb 0.00 0.09 -0.35 0.00 0.08 0.00 0.00 32.23 32.05 2qbi h LYS 94 CO 0.00 -0.09 -0.80 0.34 -0.57 0.00 0.00 179.45 178.33 2qbi s ASP 95 N -5.06 1.86 -0.20 0.86 2.15 -0.99 -5.12 116.67 110.18 2qbi s ASP 95 Ca -0.14 -0.28 -0.23 0.00 0.43 0.00 0.00 52.55 52.32 2qbi s ASP 95 Cb 0.02 -0.79 -0.01 0.00 -0.30 0.00 0.00 42.92 41.84 2qbi s ASP 95 CO 0.56 -0.04 0.76 -0.54 -0.17 0.00 0.00 175.17 175.74 2qbi s LYS 96 N 1.16 4.23 -0.02 4.34 3.01 -1.26 -4.65 119.74 126.55 2qbi s LYS 96 Ca -0.06 0.85 0.11 0.00 -1.01 0.00 0.00 55.97 55.87 2qbi s LYS 96 Cb -0.14 -3.60 -0.23 0.00 -1.01 0.00 0.00 37.83 32.85 2qbi s LYS 96 CO -0.02 -0.37 0.77 0.28 0.51 0.00 0.00 175.35 176.52 2qbi h VAL 97 N 5.28 1.00 -3.18 3.17 2.07 -1.81 -3.49 116.25 119.28 2qbi h VAL 97 Ca -0.28 -2.82 -0.07 0.00 0.82 0.00 0.00 66.70 64.35 2qbi h VAL 97 Cb 1.12 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2qbi h VAL 97 CO 0.83 0.59 0.21 -0.83 0.02 0.00 0.00 177.57 178.38 2qbi s GLY 98 N -5.05 0.61 0.05 2.17 0.00 -1.25 -4.99 107.32 98.86 2qbi s GLY 98 Ca -0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 2qbi s GLY 98 CO 0.82 -0.45 0.01 -1.59 0.00 0.00 0.00 173.10 171.90 2qbi s LYS 99 N -2.21 0.59 -0.02 2.90 -2.85 -1.26 -2.51 119.74 114.38 2qbi s LYS 99 Ca 0.18 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2qbi s LYS 99 Cb -0.04 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2qbi s LYS 99 CO 0.14 -0.12 0.01 0.42 0.10 0.00 0.00 175.35 175.89 2qbi s ILE 100 N -3.36 0.08 0.47 3.79 -1.09 0.11 -4.56 121.20 116.65 2qbi s ILE 100 Ca 0.02 0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.32 2qbi s ILE 100 Cb 0.04 -0.17 -0.07 0.00 -1.58 0.00 0.00 42.46 40.67 2qbi s ILE 100 CO -0.08 0.10 1.15 -0.94 -1.23 0.00 0.00 174.94 173.94 2qbi s SER 101 N 0.85 6.14 0.59 3.58 1.04 -1.26 -0.80 113.70 123.84 2qbi s SER 101 Ca -0.08 2.25 0.29 0.00 0.48 0.00 0.00 55.95 58.89 2qbi s SER 101 Cb -0.11 -2.60 1.67 0.00 0.10 0.00 0.00 66.02 65.09 2qbi s SER 101 CO -0.02 -0.93 2.10 -0.09 0.98 0.00 0.00 173.24 175.27 2qbi h ARG 102 N 1.91 0.00 -0.18 4.02 2.43 -1.70 -0.71 114.38 120.15 2qbi h ARG 102 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2qbi h ARG 102 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2qbi h ARG 102 CO 0.60 0.00 0.06 0.00 -1.51 0.00 0.00 179.97 179.12 2qbi h ALA 103 N 1.75 0.23 -0.76 2.80 0.00 -1.90 -2.48 119.26 118.91 2qbi h ALA 103 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2qbi h ALA 103 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2qbi h ALA 103 CO -0.00 -0.16 0.27 1.96 0.00 0.00 0.00 179.25 181.33 2qbi h GLN 104 N 0.12 1.15 -0.85 0.00 4.20 -1.50 -1.97 115.11 116.26 2qbi h GLN 104 Ca 0.06 -0.23 0.13 0.00 0.06 0.00 0.00 58.65 58.67 2qbi h GLN 104 Cb 0.21 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 2qbi h GLN 104 CO -0.00 0.96 0.46 -0.07 -0.67 0.00 0.00 178.83 179.50 2qbi h LEU 105 N 1.11 0.60 -0.24 1.46 3.38 -1.28 0.14 115.31 120.48 2qbi h LEU 105 Ca 0.25 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2qbi h LEU 105 Cb 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qbi h LEU 105 CO -0.01 0.29 0.08 -0.61 0.09 0.00 0.00 178.44 178.28 2qbi h GLN 106 N 0.69 0.37 0.04 1.13 4.15 -0.95 -0.39 115.11 120.15 2qbi h GLN 106 Ca 0.44 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.82 2qbi h GLN 106 Cb 0.56 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2qbi h GLN 106 CO -0.32 0.43 -0.30 0.93 -1.93 0.00 0.00 178.83 177.64 2qbi h GLU 107 N 0.23 -0.45 -0.66 1.69 5.08 -0.28 0.20 114.58 120.38 2qbi h GLU 107 Ca 0.08 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2qbi h GLU 107 Cb 0.21 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2qbi h GLU 107 CO -0.00 -0.30 0.44 0.82 -1.00 0.00 0.00 179.01 178.96 2qbi h ILE 108 N -0.47 1.04 -0.13 3.13 2.04 -0.73 0.89 117.51 123.27 2qbi h ILE 108 Ca 0.05 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 2qbi h ILE 108 Cb 0.54 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2qbi h ILE 108 CO -0.23 0.13 -0.27 0.00 0.00 0.00 0.00 178.15 177.78 2qbi h ALA 109 N 1.63 1.30 -0.14 1.87 0.00 0.38 -1.75 119.26 122.56 2qbi h ALA 109 Ca 0.28 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2qbi h ALA 109 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbi h ALA 109 CO -0.08 0.48 -0.21 1.96 0.00 0.00 0.00 179.25 181.39 2qbi h GLN 110 N 0.22 0.40 -0.18 0.00 4.20 0.17 -0.57 115.11 119.35 2qbi h GLN 110 Ca 0.03 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.52 2qbi h GLN 110 Cb 0.60 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2qbi h GLN 110 CO 0.04 0.81 0.08 1.15 -0.67 0.00 0.00 178.83 180.24 2qbi h THR 111 N 0.01 0.98 -0.00 -0.54 2.02 -0.97 -2.39 112.91 112.02 2qbi h THR 111 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2qbi h THR 111 Cb 0.77 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2qbi h THR 111 CO 0.05 0.03 -0.04 0.29 0.37 0.00 0.00 175.52 176.22 2qbi n LYS 112 N -5.03 0.91 -0.37 6.66 5.02 -0.68 -4.12 118.16 120.57 2qbi n LYS 112 Ca -0.03 -0.24 0.30 0.00 -2.02 0.00 0.00 58.31 56.31 2qbi n LYS 112 Cb 0.06 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.17 2qbi n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbi h ALA 113 N 3.84 2.56 -0.54 7.82 0.00 -0.54 0.21 119.26 132.60 2qbi h ALA 113 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qbi h ALA 113 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2qbi h ALA 113 CO 0.00 -1.02 0.30 0.00 0.00 0.00 0.00 179.25 178.53 2qbi h ALA 114 N 1.57 0.69 0.00 0.00 0.00 -1.78 -2.92 119.26 116.82 2qbi h ALA 114 Ca 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2qbi h ALA 114 Cb 1.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2qbi h ALA 114 CO -0.28 0.21 -0.67 -0.44 0.00 0.00 0.00 179.25 178.07 2qbi h ASP 115 N 0.73 0.00 -4.07 0.00 3.32 -1.04 -3.47 116.42 111.89 2qbi h ASP 115 Ca 0.19 -0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.76 2qbi h ASP 115 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2qbi h ASP 115 CO -0.03 0.02 0.35 -0.04 -1.72 0.00 0.00 179.24 177.82 2qbi s MET 116 N -3.28 4.13 0.00 3.56 -1.94 0.39 -4.97 119.30 117.18 2qbi s MET 116 Ca 0.03 1.16 0.24 0.00 -1.71 0.00 0.00 55.69 55.41 2qbi s MET 116 Cb 0.09 -2.16 0.21 0.00 2.01 0.00 0.00 34.83 34.98 2qbi s MET 116 CO 0.74 -0.13 1.21 0.25 -0.01 0.00 0.00 175.02 177.09 2qbi n THR 117 N -0.75 0.00 -1.55 2.05 -2.24 -1.26 -4.90 114.28 105.62 2qbi n THR 117 Ca 0.07 -0.14 -0.54 0.00 -2.27 0.00 0.00 64.05 61.17 2qbi n THR 117 Cb 0.54 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 2qbi n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 118 N 1.42 0.12 0.19 3.38 0.00 -1.26 -4.87 105.19 104.17 2qbi n GLY 118 Ca 0.09 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.68 2qbi n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi h ALA 119 N 3.83 0.47 -2.00 4.61 0.00 -1.95 -3.46 119.26 120.76 2qbi h ALA 119 Ca -0.48 -0.62 -0.48 0.00 0.00 0.00 0.00 54.91 53.33 2qbi h ALA 119 Cb 1.37 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2qbi h ALA 119 CO 0.72 0.75 -0.61 -0.51 0.00 0.00 0.00 179.25 179.60 2qbi s ASP 120 N -7.04 2.45 0.21 0.00 1.01 -1.26 -5.04 116.67 107.00 2qbi s ASP 120 Ca -0.07 -1.39 -0.08 0.00 0.71 0.00 0.00 52.55 51.72 2qbi s ASP 120 Cb 0.10 -0.08 0.16 0.00 1.01 0.00 0.00 42.92 44.11 2qbi s ASP 120 CO 0.86 -0.61 1.81 0.40 0.21 0.00 0.00 175.17 177.84 2qbi h ILE 121 N 2.09 1.25 -0.65 0.77 2.04 -2.00 -2.32 117.51 118.69 2qbi h ILE 121 Ca -0.41 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 64.78 2qbi h ILE 121 Cb 1.24 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2qbi h ILE 121 CO 0.70 0.30 0.40 -0.33 0.00 0.00 0.00 178.15 179.22 2qbi h GLU 122 N 1.14 0.76 0.55 2.37 3.07 -1.99 -1.92 114.58 118.55 2qbi h GLU 122 Ca 0.28 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 2qbi h GLU 122 Cb 0.12 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2qbi h GLU 122 CO -0.04 0.50 -0.49 0.00 -1.40 0.00 0.00 179.01 177.59 2qbi h ALA 123 N 1.28 -1.17 -0.89 3.43 0.00 -1.84 -1.69 119.26 118.38 2qbi h ALA 123 Ca 0.26 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2qbi h ALA 123 Cb 0.03 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2qbi h ALA 123 CO -0.11 -1.18 0.58 0.00 0.00 0.00 0.00 179.25 178.53 2qbi h MET 124 N -1.02 0.66 -0.39 0.00 -0.00 -1.33 -1.05 114.93 111.80 2qbi h MET 124 Ca -0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.57 2qbi h MET 124 Cb 0.87 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.30 2qbi h MET 124 CO -0.02 0.44 0.17 1.15 -0.00 0.00 0.00 176.91 178.65 2qbi h THR 125 N 0.68 1.18 -0.78 -0.10 2.02 -1.01 -1.23 112.91 113.68 2qbi h THR 125 Ca 0.45 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2qbi h THR 125 Cb 0.74 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2qbi h THR 125 CO -0.21 0.20 0.51 0.03 0.37 0.00 0.00 175.52 176.42 2qbi h ARG 126 N 0.49 0.94 -0.49 6.66 3.08 -0.28 -1.11 114.38 123.67 2qbi h ARG 126 Ca 0.13 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2qbi h ARG 126 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2qbi h ARG 126 CO -0.01 0.63 -0.01 0.77 -1.07 0.00 0.00 179.97 180.27 2qbi h SER 127 N 0.97 0.86 -0.25 7.04 0.02 -0.87 -2.46 113.55 118.87 2qbi h SER 127 Ca 0.30 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2qbi h SER 127 Cb 0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2qbi h SER 127 CO -0.08 0.97 0.08 0.40 -1.14 0.00 0.00 176.83 177.06 2qbi h ILE 128 N 0.74 1.15 -0.94 3.27 1.08 -0.35 -2.09 117.51 120.36 2qbi h ILE 128 Ca 0.14 -0.51 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2qbi h ILE 128 Cb 0.53 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 2qbi h ILE 128 CO 0.03 0.18 0.57 -0.33 -0.69 0.00 0.00 178.15 177.91 2qbi h GLU 129 N 0.45 1.28 -0.41 2.37 5.08 -0.77 -2.07 114.58 120.50 2qbi h GLU 129 Ca 0.11 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qbi h GLU 129 Cb 0.16 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2qbi h GLU 129 CO -0.01 0.89 0.27 0.78 -1.00 0.00 0.00 179.01 179.95 2qbi h GLY 130 N 1.30 0.56 1.04 -3.84 0.00 -1.15 -0.69 103.07 100.28 2qbi h GLY 130 Ca 0.34 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 2qbi h GLY 130 CO -0.06 0.20 -0.33 -0.91 0.00 0.00 0.00 176.54 175.44 2qbi h THR 131 N 0.53 1.29 -0.19 4.70 1.35 -1.36 -2.92 112.91 116.31 2qbi h THR 131 Ca 0.16 -1.50 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 2qbi h THR 131 Cb -0.02 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 2qbi h THR 131 CO -0.03 0.49 0.08 0.00 -0.25 0.00 0.00 175.52 175.80 2qbi h ALA 132 N 0.74 0.25 -0.33 6.62 0.00 -0.94 -2.52 119.26 123.08 2qbi h ALA 132 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qbi h ALA 132 Cb 0.91 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2qbi h ALA 132 CO 0.08 -0.16 0.23 0.00 0.00 0.00 0.00 179.25 179.40 2qbi h ARG 133 N 0.15 0.07 0.00 0.00 3.08 -1.17 -0.70 114.38 115.81 2qbi h ARG 133 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qbi h ARG 133 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2qbi h ARG 133 CO -0.01 0.05 -0.23 0.77 -1.07 0.00 0.00 179.97 179.48 2qbi h SER 134 N 0.07 0.00 -0.41 7.04 0.02 -1.27 -3.30 113.55 115.71 2qbi h SER 134 Ca 0.15 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2qbi h SER 134 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2qbi h SER 134 CO -0.01 0.02 0.00 1.15 -1.14 0.00 0.00 176.83 176.84 2qbi n MET 135 N -2.61 2.88 -2.13 3.45 0.00 -0.41 -4.72 117.12 113.58 2qbi n MET 135 Ca 0.04 -2.21 -0.08 0.00 0.00 0.00 0.00 57.70 55.45 2qbi n MET 135 Cb 0.49 -1.36 -0.00 0.00 0.00 0.00 0.00 33.22 32.34 2qbi n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qbi n GLY 136 N 0.65 0.07 3.19 3.17 0.00 -0.83 -2.02 105.19 109.41 2qbi n GLY 136 Ca 0.14 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2qbi n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbi s LEU 137 N -2.22 4.08 0.56 0.99 1.43 -0.41 -2.54 118.68 120.57 2qbi s LEU 137 Ca 0.00 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 51.64 2qbi s LEU 137 Cb 0.00 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 2qbi s LEU 137 CO 0.00 -0.29 1.01 -0.69 0.23 0.00 0.00 176.35 176.60 2qbi s VAL 138 N 1.27 4.55 -0.09 -1.59 1.01 -1.04 -4.09 120.40 120.41 2qbi s VAL 138 Ca -0.03 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2qbi s VAL 138 Cb -0.20 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2qbi s VAL 138 CO -0.01 -0.84 -0.20 0.68 0.00 0.00 0.00 175.10 174.74 2qbi s VAL 139 N -2.82 2.49 -0.36 2.92 -7.23 -1.26 0.09 120.40 114.25 2qbi s VAL 139 Ca 0.58 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.72 2qbi s VAL 139 Cb -0.11 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 2qbi s VAL 139 CO 0.40 0.55 0.32 -0.70 -0.31 0.00 0.00 175.10 175.36 2qbi s GLU 140 N 0.11 3.42 0.00 4.82 2.56 0.02 -4.89 118.70 124.73 2qbi s GLU 140 Ca -0.10 -0.61 0.28 0.00 0.00 0.00 0.00 54.97 54.54 2qbi s GLU 140 Cb -0.16 -3.84 1.06 0.00 2.00 0.00 0.00 34.13 33.19 2qbi s GLU 140 CO 0.06 -0.56 1.75 -0.25 -0.56 0.00 0.00 175.26 175.70