#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n LYS 2 N 0.00 1.22 -2.07 0.00 5.02 -1.26 -5.07 118.16 116.00 2qbe n LYS 2 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2qbe n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2qbe n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2qbe s LYS 3 N 1.24 2.80 -0.08 1.97 2.20 -1.26 -4.93 119.74 121.68 2qbe s LYS 3 Ca 0.00 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.03 2qbe s LYS 3 Cb 0.00 -4.33 -0.06 0.00 -1.51 0.00 0.00 37.83 31.93 2qbe s LYS 3 CO 0.00 -2.52 1.77 0.54 -0.36 0.00 0.00 175.35 174.77 2qbe s VAL 4 N 8.46 3.42 0.43 4.02 0.11 -1.26 -4.99 120.40 130.59 2qbe s VAL 4 Ca 0.68 0.50 0.07 0.00 -2.93 0.00 0.00 61.98 60.30 2qbe s VAL 4 Cb -0.14 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2qbe s VAL 4 CO 0.23 -0.09 0.22 -1.58 -3.33 0.00 0.00 175.10 170.56 2qbe s GLN 5 N 4.44 2.27 -0.37 1.54 0.74 -1.26 -5.04 119.66 121.98 2qbe s GLN 5 Ca 0.79 -1.83 -0.28 0.00 0.05 0.00 0.00 55.36 54.09 2qbe s GLN 5 Cb -0.34 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 2qbe s GLN 5 CO 0.33 -0.18 2.06 0.00 -0.55 0.00 0.00 175.29 176.94 2qbe s ALA 6 N -2.60 2.48 0.16 1.58 0.00 -1.26 -4.91 121.76 117.20 2qbe s ALA 6 Ca 0.40 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 2qbe s ALA 6 Cb 0.02 -4.14 0.02 0.00 0.00 0.00 0.00 23.12 19.02 2qbe s ALA 6 CO 0.23 -3.23 0.39 1.52 0.00 0.00 0.00 175.76 174.67 2qbe s TYR 7 N 8.69 0.04 0.01 0.00 -0.85 -1.26 -3.02 117.35 120.96 2qbe s TYR 7 Ca 0.88 -0.39 0.08 0.00 -0.52 0.00 0.00 57.07 57.12 2qbe s TYR 7 Cb -0.23 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.27 2qbe s TYR 7 CO 0.31 -0.78 -0.25 0.14 -1.52 0.00 0.00 175.55 173.45 2qbe s VAL 8 N -3.88 2.02 -0.01 -3.49 -7.23 0.59 -4.99 120.40 103.40 2qbe s VAL 8 Ca 0.10 -1.21 0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2qbe s VAL 8 Cb 0.01 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2qbe s VAL 8 CO -0.05 0.45 -0.19 -1.59 -0.31 0.00 0.00 175.10 173.42 2qbe s LYS 9 N -0.90 2.26 -0.09 4.82 -2.85 -1.26 -0.42 119.74 121.29 2qbe s LYS 9 Ca 0.10 -0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 2qbe s LYS 9 Cb -0.10 -2.22 0.11 0.00 -2.06 0.00 0.00 37.83 33.56 2qbe s LYS 9 CO 0.00 0.58 0.88 -0.48 0.10 0.00 0.00 175.35 176.44 2qbe s LEU 10 N -0.90 -0.45 -0.38 2.77 0.05 -0.89 -5.02 118.68 113.87 2qbe s LEU 10 Ca 0.12 0.40 -0.09 0.00 0.05 0.00 0.00 54.13 54.61 2qbe s LEU 10 Cb -0.10 2.09 0.05 0.00 -2.05 0.00 0.00 46.19 46.17 2qbe s LEU 10 CO 0.01 -0.48 0.19 0.00 -0.55 0.00 0.00 176.35 175.52 2qbe s GLN 11 N -1.58 2.68 0.11 1.48 -2.07 -1.26 -0.39 119.66 118.63 2qbe s GLN 11 Ca -0.03 -1.24 0.06 0.00 -1.82 0.00 0.00 55.36 52.33 2qbe s GLN 11 Cb -0.00 -3.66 -0.04 0.00 -1.09 0.00 0.00 33.01 28.21 2qbe s GLN 11 CO 0.01 -0.78 -0.04 0.14 -1.32 0.00 0.00 175.29 173.30 2qbe s VAL 12 N 1.46 3.68 0.98 3.63 -7.23 -1.14 -4.88 120.40 116.90 2qbe s VAL 12 Ca 0.01 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 2qbe s VAL 12 Cb -0.21 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2qbe s VAL 12 CO 0.04 0.07 0.05 0.00 -0.31 0.00 0.00 175.10 174.95 2qbe n ALA 13 N 0.48 -3.48 -1.00 1.32 0.00 -1.26 -2.15 120.51 114.42 2qbe n ALA 13 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2qbe n ALA 13 Cb 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qbe n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 14 N -3.50 0.00 -3.23 0.00 0.00 -1.24 -4.25 120.51 108.29 2qbe n ALA 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2qbe n ALA 14 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2qbe n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbe n GLY 15 N -0.40 4.67 0.00 0.00 0.00 -1.26 -4.56 105.19 103.64 2qbe n GLY 15 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 2qbe n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2qbe n MET 16 N 1.93 0.00 -3.88 1.61 0.00 -1.26 -5.06 117.12 110.46 2qbe n MET 16 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.93 2qbe n MET 16 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.60 2qbe n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbe s ALA 17 N -0.39 -1.78 0.00 -5.12 0.00 -1.26 -4.32 121.76 108.88 2qbe s ALA 17 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2qbe s ALA 17 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2qbe s ALA 17 CO 0.00 -1.08 0.00 -1.71 0.00 0.00 0.00 175.76 172.97 2qbe n ASN 18 N -1.09 0.00 -4.77 0.00 5.15 -1.26 -4.98 115.26 108.30 2qbe n ASN 18 Ca -0.02 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 2qbe n ASN 18 Cb 0.60 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.83 2qbe n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qbe s PRO 19 N -0.98 4.23 0.09 1.20 0.04 -1.26 -4.56 135.00 133.76 2qbe s PRO 19 Ca 0.00 2.39 -0.35 0.00 0.04 0.00 0.00 61.00 63.09 2qbe s PRO 19 Cb 0.00 -3.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.36 2qbe s PRO 19 CO 0.00 -0.37 1.58 1.03 0.04 0.00 0.00 177.00 179.28 2qbe h SER 20 N 3.30 -1.25 0.09 6.66 0.87 -1.98 -1.28 113.55 119.96 2qbe h SER 20 Ca -0.50 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2qbe h SER 20 Cb 1.23 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 63.56 2qbe h SER 20 CO 0.66 -0.63 -0.40 -0.65 -0.53 0.00 0.00 176.83 175.28 2qbe h PRO 21 N -0.95 -0.59 0.57 2.24 0.11 -1.99 -3.22 132.00 128.17 2qbe h PRO 21 Ca -0.05 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2qbe h PRO 21 Cb 0.82 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2qbe h PRO 21 CO -0.05 -0.39 -0.35 -1.35 -0.21 0.00 0.00 178.00 175.64 2qbe h PRO 22 N -0.61 -0.83 0.00 1.05 0.11 -1.96 -3.46 132.00 126.30 2qbe h PRO 22 Ca 0.03 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qbe h PRO 22 Cb 0.65 0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qbe h PRO 22 CO -0.25 -0.55 0.00 1.33 -0.21 0.00 0.00 178.00 178.32 2qbe n VAL 23 N -4.57 0.00 0.00 3.15 0.24 -0.49 -4.78 118.33 111.88 2qbe n VAL 23 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2qbe n VAL 23 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2qbe n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbe n GLY 24 N 5.00 1.56 0.53 7.63 0.00 -1.20 -1.50 105.19 117.21 2qbe n GLY 24 Ca 0.00 0.56 0.37 0.00 0.00 0.00 0.00 46.02 46.95 2qbe n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbe h PRO 25 N 0.00 0.08 -0.00 1.61 0.11 -1.88 0.89 132.00 132.81 2qbe h PRO 25 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qbe h PRO 25 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2qbe h PRO 25 CO 0.00 0.06 -0.11 0.00 -0.21 0.00 0.00 178.00 177.73 2qbe h ALA 26 N 1.40 -0.58 0.00 -0.75 0.00 -1.52 -2.80 119.26 115.02 2qbe h ALA 26 Ca 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2qbe h ALA 26 Cb 2.49 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.89 2qbe h ALA 26 CO -0.14 -0.62 -0.72 1.47 0.00 0.00 0.00 179.25 179.25 2qbe n LEU 27 N -3.13 0.62 0.20 0.00 -0.00 -0.97 -4.06 117.00 109.66 2qbe n LEU 27 Ca -0.01 0.07 0.07 0.00 -0.00 0.00 0.00 56.01 56.14 2qbe n LEU 27 Cb 0.08 -0.17 0.58 0.00 -0.00 0.00 0.00 43.42 43.91 2qbe n LEU 27 CO 0.02 0.03 1.09 1.23 -0.00 0.00 0.00 177.39 179.76 2qbe h GLY 28 N 4.67 0.14 1.22 1.47 0.00 0.94 -1.76 103.07 109.75 2qbe h GLY 28 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2qbe h GLY 28 CO 0.00 0.05 0.27 1.46 0.00 0.00 0.00 176.54 178.32 2qbe h GLN 29 N 0.13 1.00 0.00 4.80 1.08 -1.64 -1.47 115.11 119.01 2qbe h GLN 29 Ca 0.04 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2qbe h GLN 29 Cb -0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2qbe h GLN 29 CO -0.01 0.81 0.00 1.96 -0.95 0.00 0.00 178.83 180.64 2qbe h GLN 30 N 0.98 0.00 0.00 1.46 1.08 -1.57 -3.45 115.11 113.60 2qbe h GLN 30 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2qbe h GLN 30 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2qbe h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2qbe n GLY 31 N -0.52 1.43 3.80 3.46 0.00 -0.55 -4.98 105.19 107.82 2qbe n GLY 31 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2qbe n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbe s VAL 32 N -2.00 3.86 -1.04 1.61 1.01 -1.17 -4.79 120.40 117.87 2qbe s VAL 32 Ca 0.00 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.85 2qbe s VAL 32 Cb 0.00 -3.44 0.19 0.00 0.00 0.00 0.00 36.38 33.13 2qbe s VAL 32 CO 0.00 -0.39 1.17 0.20 0.00 0.00 0.00 175.10 176.08 2qbe s ASN 33 N -2.42 6.94 0.20 3.32 0.01 -1.26 -4.72 114.94 117.01 2qbe s ASN 33 Ca 0.65 -2.77 -0.18 0.00 -0.71 0.00 0.00 52.86 49.85 2qbe s ASN 33 Cb -0.16 -2.33 0.19 0.00 0.41 0.00 0.00 41.25 39.36 2qbe s ASN 33 CO 0.28 -0.73 1.59 0.40 -1.51 0.00 0.00 177.10 177.14 2qbe h ILE 34 N 4.85 0.20 -0.58 0.60 1.08 -1.94 -0.97 117.51 120.74 2qbe h ILE 34 Ca 0.21 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.79 2qbe h ILE 34 Cb 0.95 0.20 -0.09 0.00 -3.07 0.00 0.00 36.82 34.81 2qbe h ILE 34 CO 1.08 0.00 0.09 -0.03 -0.69 0.00 0.00 178.15 178.60 2qbe h MET 35 N -0.10 0.21 -0.17 2.37 4.05 -1.97 0.53 114.93 119.85 2qbe h MET 35 Ca 0.28 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.66 2qbe h MET 35 Cb 0.55 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2qbe h MET 35 CO -0.72 0.14 0.02 1.49 0.23 0.00 0.00 176.91 178.07 2qbe h GLU 36 N 0.21 0.29 0.07 0.39 4.81 -1.65 -3.09 114.58 115.62 2qbe h GLU 36 Ca 0.30 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2qbe h GLU 36 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2qbe h GLU 36 CO -0.42 0.47 -0.03 0.35 -0.73 0.00 0.00 179.01 178.64 2qbe h PHE 37 N 0.07 -0.09 -0.63 0.92 3.57 -0.73 0.15 116.94 120.20 2qbe h PHE 37 Ca 0.05 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2qbe h PHE 37 Cb 0.32 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.99 2qbe h PHE 37 CO 0.02 0.06 0.10 0.00 -2.23 0.00 0.00 178.31 176.26 2qbe h LYS 39 N 0.22 0.36 -0.24 0.00 3.64 -1.47 -2.80 116.57 116.28 2qbe h LYS 39 Ca 0.34 -0.37 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2qbe h LYS 39 Cb 0.54 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2qbe h LYS 39 CO -0.46 1.04 -0.25 0.00 -2.27 0.00 0.00 179.45 177.51 2qbe h ALA 40 N 0.84 0.36 0.46 5.00 0.00 0.61 -2.69 119.26 123.83 2qbe h ALA 40 Ca -0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2qbe h ALA 40 Cb 1.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qbe h ALA 40 CO 0.15 0.33 -0.22 0.35 0.00 0.00 0.00 179.25 179.86 2qbe h PHE 41 N 0.30 -0.57 -0.84 0.00 3.57 0.12 -2.99 116.94 116.53 2qbe h PHE 41 Ca 0.04 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.77 2qbe h PHE 41 Cb 0.81 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2qbe h PHE 41 CO 0.08 -0.35 0.70 -0.91 -2.23 0.00 0.00 178.31 175.60 2qbe h ASN 42 N -0.69 0.00 0.46 0.41 2.35 -1.62 -1.01 115.58 115.48 2qbe h ASN 42 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2qbe h ASN 42 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 2qbe h ASN 42 CO 0.10 0.00 -0.46 0.00 -1.65 0.00 0.00 177.43 175.43 2qbe h ALA 43 N 1.39 -1.12 0.00 -0.83 0.00 -1.32 -2.50 119.26 114.87 2qbe h ALA 43 Ca 0.40 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2qbe h ALA 43 Cb 1.80 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 2qbe h ALA 43 CO -0.00 -1.15 -0.49 -0.22 0.00 0.00 0.00 179.25 177.39 2qbe h LYS 44 N -0.91 0.00 -0.34 0.00 3.64 -1.45 -3.31 116.57 114.19 2qbe h LYS 44 Ca -0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2qbe h LYS 44 Cb 0.79 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2qbe h LYS 44 CO -0.06 0.27 -0.02 1.15 -2.27 0.00 0.00 179.45 178.53 2qbe h THR 45 N 0.00 1.21 -0.52 1.00 2.02 -1.14 -1.46 112.91 114.01 2qbe h THR 45 Ca -0.02 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 2qbe h THR 45 Cb 1.25 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2qbe h THR 45 CO 0.04 0.29 0.32 0.44 0.37 0.00 0.00 175.52 176.97 2qbe h ASP 46 N 0.52 0.63 -0.02 4.18 3.32 -1.54 0.42 116.42 123.93 2qbe h ASP 46 Ca 0.11 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2qbe h ASP 46 Cb 0.36 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qbe h ASP 46 CO 0.01 0.50 -0.00 -1.28 -1.72 0.00 0.00 179.24 176.75 2qbe h SER 47 N 0.70 0.04 0.30 6.45 0.87 -1.66 -3.27 113.55 116.98 2qbe h SER 47 Ca 0.19 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2qbe h SER 47 Cb -0.01 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2qbe h SER 47 CO -0.04 0.37 -0.44 0.40 -0.53 0.00 0.00 176.83 176.59 2qbe h ILE 48 N -0.29 0.12 0.00 2.23 2.04 -1.11 -3.46 117.51 117.04 2qbe h ILE 48 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2qbe h ILE 48 Cb 0.35 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2qbe h ILE 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.31 2qbe n GLU 49 N -5.50 0.00 -4.07 2.37 0.28 0.12 -5.10 120.64 108.74 2qbe n GLU 49 Ca -0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.62 2qbe n GLU 49 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 2qbe n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2qbe s LYS 50 N -0.14 2.85 0.00 3.44 1.02 -1.26 -4.51 119.74 121.15 2qbe s LYS 50 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2qbe s LYS 50 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 2qbe s LYS 50 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 2qbe n GLY 51 N 0.10 1.65 3.22 -3.33 0.00 -1.26 -5.02 105.19 100.55 2qbe n GLY 51 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2qbe n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 52 N 0.00 2.62 -0.05 0.99 1.02 -1.26 -4.89 118.68 117.11 2qbe s LEU 52 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 54.13 53.28 2qbe s LEU 52 Cb 0.00 -1.62 -0.10 0.00 0.02 0.00 0.00 46.19 44.49 2qbe s LEU 52 CO 0.00 -0.03 1.99 -2.65 0.02 0.00 0.00 176.35 175.68 2qbe n PRO 53 N 4.71 2.46 -4.24 1.29 -0.02 -1.26 -3.71 135.00 134.23 2qbe n PRO 53 Ca -0.19 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 2qbe n PRO 53 Cb 0.50 -2.90 -0.14 0.00 -0.02 0.00 0.00 33.50 30.94 2qbe n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qbe s ILE 54 N 4.95 3.06 -0.01 4.25 1.01 -0.91 -4.42 121.20 129.12 2qbe s ILE 54 Ca 0.93 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2qbe s ILE 54 Cb -0.53 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2qbe s ILE 54 CO 0.45 0.48 1.17 -2.16 0.00 0.00 0.00 174.94 174.87 2qbe s PRO 55 N 1.06 4.41 0.08 2.79 0.04 -1.26 -2.88 135.00 139.23 2qbe s PRO 55 Ca -0.00 1.67 0.09 0.00 0.04 0.00 0.00 61.00 62.80 2qbe s PRO 55 Cb -0.15 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 2qbe s PRO 55 CO -0.02 -0.33 -0.24 0.54 0.04 0.00 0.00 177.00 176.99 2qbe s VAL 56 N 1.65 2.01 -0.45 -0.36 0.11 0.48 -3.53 120.40 120.31 2qbe s VAL 56 Ca 0.56 -1.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.02 2qbe s VAL 56 Cb -0.26 -1.76 0.11 0.00 -1.53 0.00 0.00 36.38 32.94 2qbe s VAL 56 CO 0.25 0.16 0.30 -0.69 -3.33 0.00 0.00 175.10 171.79 2qbe s VAL 57 N -0.96 4.04 -0.15 2.04 1.01 -1.19 -2.08 120.40 123.11 2qbe s VAL 57 Ca 0.11 -1.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.07 2qbe s VAL 57 Cb -0.10 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2qbe s VAL 57 CO 0.04 -0.69 0.95 -0.63 0.00 0.00 0.00 175.10 174.77 2qbe s ILE 58 N 1.34 4.80 -0.35 2.22 1.09 0.44 -3.23 121.20 127.51 2qbe s ILE 58 Ca 0.05 1.90 -0.04 0.00 -1.10 0.00 0.00 60.65 61.46 2qbe s ILE 58 Cb -0.25 -4.25 0.06 0.00 -1.06 0.00 0.00 42.46 36.96 2qbe s ILE 58 CO -0.01 -0.01 0.11 -0.89 -0.10 0.00 0.00 174.94 174.04 2qbe s THR 59 N 2.23 3.46 0.17 2.92 2.01 0.17 -0.30 115.64 126.29 2qbe s THR 59 Ca 0.44 -1.47 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 2qbe s THR 59 Cb -0.17 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 2qbe s THR 59 CO 0.14 -0.32 0.57 -0.69 -0.69 0.00 0.00 174.62 173.63 2qbe s VAL 60 N 1.29 4.83 0.57 3.82 1.01 -1.17 -1.21 120.40 129.55 2qbe s VAL 60 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2qbe s VAL 60 Cb -0.21 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.50 2qbe s VAL 60 CO -0.00 0.19 0.49 -0.31 0.00 0.00 0.00 175.10 175.46 2qbe s TYR 61 N -1.53 1.45 0.44 5.22 2.02 0.09 -4.68 117.35 120.36 2qbe s TYR 61 Ca 0.40 -0.86 0.15 0.00 -0.37 0.00 0.00 57.07 56.39 2qbe s TYR 61 Cb -0.14 -1.95 1.02 0.00 -0.40 0.00 0.00 41.96 40.49 2qbe s TYR 61 CO 0.19 -0.67 1.99 0.00 -1.57 0.00 0.00 175.55 175.50 2qbe h ALA 62 N 0.59 1.64 0.00 3.71 0.00 -1.98 0.55 119.26 123.76 2qbe h ALA 62 Ca -0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qbe h ALA 62 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qbe h ALA 62 CO 0.53 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 2qbe n ASP 63 N -4.24 1.53 -0.30 0.00 8.00 -1.26 -4.78 116.55 115.50 2qbe n ASP 63 Ca -0.02 -1.96 -0.02 0.00 0.71 0.00 0.00 54.79 53.50 2qbe n ASP 63 Cb 0.26 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 2qbe n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2qbe n ARG 64 N 0.15 -1.77 -1.30 -1.24 -4.01 0.18 -4.87 116.66 103.80 2qbe n ARG 64 Ca 0.00 0.19 -0.17 0.00 -1.04 0.00 0.00 57.85 56.83 2qbe n ARG 64 Cb 0.31 -3.52 0.11 0.00 -3.04 0.00 0.00 32.46 26.33 2qbe n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2qbe n SER 65 N 1.49 0.22 -3.63 2.89 2.88 -1.26 -4.54 113.62 111.67 2qbe n SER 65 Ca -0.02 -1.38 -0.06 0.00 -1.33 0.00 0.00 58.87 56.09 2qbe n SER 65 Cb 0.15 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.02 2qbe n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2qbe s PHE 66 N -2.58 -0.23 0.20 0.66 -0.12 -1.26 -0.73 117.98 113.92 2qbe s PHE 66 Ca 0.45 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.33 2qbe s PHE 66 Cb -0.01 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 2qbe s PHE 66 CO 0.31 -0.68 0.11 -0.08 -0.05 0.00 0.00 175.22 174.83 2qbe s THR 67 N -3.19 0.09 -0.25 -4.49 -1.32 -0.35 -4.95 115.64 101.18 2qbe s THR 67 Ca 0.09 -1.99 -0.26 0.00 -1.21 0.00 0.00 61.69 58.33 2qbe s THR 67 Cb -0.01 -2.45 0.07 0.00 -1.51 0.00 0.00 72.50 68.60 2qbe s THR 67 CO -0.03 -0.07 0.71 0.72 -2.21 0.00 0.00 174.62 173.74 2qbe s PHE 68 N -4.09 -0.78 -0.21 9.09 -0.71 -1.26 0.42 117.98 120.45 2qbe s PHE 68 Ca 0.37 1.85 -0.05 0.00 -1.04 0.00 0.00 56.93 58.06 2qbe s PHE 68 Cb 0.07 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2qbe s PHE 68 CO 0.11 -0.40 -0.01 0.08 -1.34 0.00 0.00 175.22 173.66 2qbe s VAL 69 N 0.23 3.85 -0.41 -2.49 1.01 -1.20 -4.95 120.40 116.44 2qbe s VAL 69 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 2qbe s VAL 69 Cb -0.05 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2qbe s VAL 69 CO 0.02 0.42 0.67 -0.89 0.00 0.00 0.00 175.10 175.32 2qbe s THR 70 N 1.12 4.81 0.00 3.92 2.01 -1.26 -3.20 115.64 123.03 2qbe s THR 70 Ca 0.02 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2qbe s THR 70 Cb -0.14 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2qbe s THR 70 CO 0.01 -0.52 0.00 0.29 -0.69 0.00 0.00 174.62 173.71 2qbe n LYS 71 N 6.28 1.30 -2.68 4.92 5.02 -1.23 -5.09 118.16 126.69 2qbe n LYS 71 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2qbe n LYS 71 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2qbe n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qbe s THR 72 N 0.90 4.78 0.61 -0.18 -4.23 -1.26 -4.69 115.64 111.57 2qbe s THR 72 Ca 0.00 0.61 -0.19 0.00 -1.18 0.00 0.00 61.69 60.93 2qbe s THR 72 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 2qbe s THR 72 CO 0.00 -0.66 1.25 -2.16 -0.54 0.00 0.00 174.62 172.51 2qbe s PRO 73 N -4.18 2.83 0.82 3.99 0.04 -1.26 -4.51 135.00 132.73 2qbe s PRO 73 Ca 0.51 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.34 2qbe s PRO 73 Cb -0.10 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2qbe s PRO 73 CO 0.36 -1.35 0.13 -2.30 0.04 0.00 0.00 177.00 173.89 2qbe n PRO 74 N -1.67 0.04 0.14 0.56 -0.02 -1.26 -4.80 135.00 128.00 2qbe n PRO 74 Ca 0.14 0.04 -0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2qbe n PRO 74 Cb 0.49 -1.57 0.20 0.00 -0.02 0.00 0.00 33.50 32.60 2qbe n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbe h ALA 75 N -0.80 1.02 -0.30 3.55 0.00 -1.98 -2.65 119.26 118.09 2qbe h ALA 75 Ca -0.44 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 53.86 2qbe h ALA 75 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2qbe h ALA 75 CO 0.36 0.73 -0.11 0.00 0.00 0.00 0.00 179.25 180.22 2qbe h ALA 76 N 1.42 0.41 -0.47 0.00 0.00 -1.92 -2.24 119.26 116.46 2qbe h ALA 76 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2qbe h ALA 76 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2qbe h ALA 76 CO 0.08 0.28 -0.20 -0.39 0.00 0.00 0.00 179.25 179.01 2qbe h VAL 77 N 0.36 1.27 -0.14 0.00 -1.51 -1.90 -1.75 116.25 112.57 2qbe h VAL 77 Ca 0.07 -1.36 -0.08 0.00 -1.23 0.00 0.00 66.70 64.10 2qbe h VAL 77 Cb 0.62 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2qbe h VAL 77 CO 0.04 0.47 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.53 2qbe h LEU 78 N 0.83 0.25 -0.38 4.19 3.38 -1.46 -2.17 115.31 119.95 2qbe h LEU 78 Ca 0.11 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2qbe h LEU 78 Cb 0.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2qbe h LEU 78 CO 0.06 0.51 -0.81 -0.07 0.09 0.00 0.00 178.44 178.22 2qbe h LEU 79 N 0.23 0.22 -0.31 1.67 3.38 -1.22 -1.63 115.31 117.66 2qbe h LEU 79 Ca 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2qbe h LEU 79 Cb 0.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qbe h LEU 79 CO 0.04 0.94 0.04 0.11 0.09 0.00 0.00 178.44 179.65 2qbe h LYS 80 N 0.10 0.52 -0.35 1.13 1.57 -0.84 0.22 116.57 118.92 2qbe h LYS 80 Ca -0.03 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 2qbe h LYS 80 Cb 1.41 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 2qbe h LYS 80 CO 0.12 0.63 -0.41 1.57 -0.57 0.00 0.00 179.45 180.78 2qbe h LYS 81 N 0.34 0.90 -0.63 3.15 2.10 -1.43 0.13 116.57 121.12 2qbe h LYS 81 Ca 0.09 -0.50 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 2qbe h LYS 81 Cb 0.37 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.70 2qbe h LYS 81 CO 0.01 1.15 0.25 0.00 -2.00 0.00 0.00 179.45 178.86 2qbe h ALA 82 N 0.74 1.26 0.00 0.07 0.00 -1.17 -1.46 119.26 118.70 2qbe h ALA 82 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbe h ALA 82 Cb 1.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qbe h ALA 82 CO 0.10 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 2qbe h ALA 83 N 1.37 0.97 0.00 0.00 0.00 -0.40 -3.47 119.26 117.72 2qbe h ALA 83 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qbe h ALA 83 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qbe h ALA 83 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2qbe n GLY 84 N 1.15 0.51 3.99 0.00 0.00 0.25 -4.73 105.19 106.36 2qbe n GLY 84 Ca 0.04 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2qbe n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbe s ILE 85 N -2.00 3.80 -0.24 -0.61 -4.36 -0.06 -4.98 121.20 112.74 2qbe s ILE 85 Ca 0.00 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.41 2qbe s ILE 85 Cb 0.00 -3.32 -0.18 0.00 1.25 0.00 0.00 42.46 40.22 2qbe s ILE 85 CO 0.00 -0.13 -0.13 0.29 0.24 0.00 0.00 174.94 175.21 2qbe n LYS 86 N -1.75 0.65 -4.60 0.37 5.02 -1.26 -4.31 118.16 112.28 2qbe n LYS 86 Ca 0.02 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.24 2qbe n LYS 86 Cb 0.58 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 2qbe n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbe s SER 87 N -6.83 3.26 0.20 4.39 0.01 -1.26 -5.04 113.70 108.43 2qbe s SER 87 Ca -0.33 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.27 2qbe s SER 87 Cb 0.10 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2qbe s SER 87 CO 0.61 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2qbe n GLY 88 N -1.03 -1.93 0.09 3.44 0.00 -1.26 -5.00 105.19 99.51 2qbe n GLY 88 Ca -0.10 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 2qbe n GLY 88 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2qbe h SER 89 N -0.16 0.12 0.00 1.61 0.87 -1.75 -3.48 113.55 110.76 2qbe h SER 89 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2qbe h SER 89 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2qbe h SER 89 CO 0.00 1.20 0.00 0.61 -0.53 0.00 0.00 176.83 178.11 2qbe n GLY 90 N 1.61 1.76 2.28 5.77 0.00 -1.26 -4.62 105.19 110.73 2qbe n GLY 90 Ca -0.17 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2qbe n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbe n LYS 91 N 0.00 1.20 -1.25 1.61 2.85 -1.26 -5.13 118.16 116.18 2qbe n LYS 91 Ca 0.00 -3.55 -0.41 0.00 -1.05 0.00 0.00 58.31 53.30 2qbe n LYS 91 Cb 0.00 -1.65 -0.01 0.00 -0.65 0.00 0.00 35.03 32.72 2qbe n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2qbe n PRO 92 N 0.57 0.00 0.00 -1.58 -0.02 -1.26 -1.60 135.00 131.11 2qbe n PRO 92 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qbe n PRO 92 Cb 0.58 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2qbe n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qbe n ASN 93 N 2.08 0.00 0.15 2.55 5.03 -1.26 -4.53 115.26 119.28 2qbe n ASN 93 Ca 0.13 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 2qbe n ASN 93 Cb 0.33 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.01 2qbe n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2qbe h LYS 94 N 0.00 -0.37 -4.29 3.52 1.57 -1.71 -3.43 116.57 111.86 2qbe h LYS 94 Ca 0.00 0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.31 2qbe h LYS 94 Cb 0.00 0.08 -0.35 0.00 0.08 0.00 0.00 32.23 32.04 2qbe h LYS 94 CO 0.00 -0.07 -0.80 0.34 -0.57 0.00 0.00 179.45 178.35 2qbe s ASP 95 N -5.07 1.78 -0.20 0.86 2.15 -0.99 -5.12 116.67 110.09 2qbe s ASP 95 Ca -0.15 -0.26 -0.24 0.00 0.43 0.00 0.00 52.55 52.34 2qbe s ASP 95 Cb 0.03 -0.75 -0.02 0.00 -0.30 0.00 0.00 42.92 41.88 2qbe s ASP 95 CO 0.57 -0.05 0.77 -0.54 -0.17 0.00 0.00 175.17 175.75 2qbe s LYS 96 N 1.18 4.24 -0.02 4.34 3.01 -1.26 -4.65 119.74 126.58 2qbe s LYS 96 Ca -0.05 0.87 0.11 0.00 -1.01 0.00 0.00 55.97 55.89 2qbe s LYS 96 Cb -0.14 -3.59 -0.23 0.00 -1.01 0.00 0.00 37.83 32.86 2qbe s LYS 96 CO -0.02 -0.35 0.74 0.28 0.51 0.00 0.00 175.35 176.51 2qbe h VAL 97 N 5.25 0.96 -3.19 3.17 2.07 -1.82 -3.49 116.25 119.19 2qbe h VAL 97 Ca -0.28 -2.79 -0.08 0.00 0.82 0.00 0.00 66.70 64.37 2qbe h VAL 97 Cb 1.13 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2qbe h VAL 97 CO 0.82 0.56 0.20 -0.83 0.02 0.00 0.00 177.57 178.35 2qbe s GLY 98 N -5.07 0.63 0.05 2.17 0.00 -1.25 -4.99 107.32 98.85 2qbe s GLY 98 Ca -0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2qbe s GLY 98 CO 0.82 -0.45 0.01 -1.59 0.00 0.00 0.00 173.10 171.89 2qbe s LYS 99 N -2.22 0.59 -0.02 2.90 -2.85 -1.26 -2.53 119.74 114.35 2qbe s LYS 99 Ca 0.18 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2qbe s LYS 99 Cb -0.04 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2qbe s LYS 99 CO 0.14 -0.12 0.01 0.42 0.10 0.00 0.00 175.35 175.89 2qbe s ILE 100 N -3.35 0.08 0.46 3.79 -1.09 0.11 -4.56 121.20 116.65 2qbe s ILE 100 Ca 0.02 0.11 -0.23 0.00 -2.23 0.00 0.00 60.65 58.32 2qbe s ILE 100 Cb 0.04 -0.17 -0.07 0.00 -1.58 0.00 0.00 42.46 40.67 2qbe s ILE 100 CO -0.08 0.11 1.15 -0.94 -1.23 0.00 0.00 174.94 173.95 2qbe s SER 101 N 0.86 6.18 0.60 3.58 1.04 -1.26 -0.81 113.70 123.88 2qbe s SER 101 Ca -0.08 2.27 0.30 0.00 0.48 0.00 0.00 55.95 58.91 2qbe s SER 101 Cb -0.11 -2.60 1.68 0.00 0.10 0.00 0.00 66.02 65.09 2qbe s SER 101 CO -0.02 -0.91 2.09 -0.09 0.98 0.00 0.00 173.24 175.29 2qbe h ARG 102 N 1.99 0.00 -0.17 4.02 2.43 -1.71 -0.64 114.38 120.30 2qbe h ARG 102 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2qbe h ARG 102 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2qbe h ARG 102 CO 0.60 0.00 0.05 0.00 -1.51 0.00 0.00 179.97 179.11 2qbe h ALA 103 N 1.72 0.22 -0.76 2.80 0.00 -1.90 -2.50 119.26 118.85 2qbe h ALA 103 Ca 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qbe h ALA 103 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2qbe h ALA 103 CO -0.00 -0.16 0.27 1.96 0.00 0.00 0.00 179.25 181.33 2qbe h GLN 104 N 0.10 1.15 -0.84 0.00 4.20 -1.49 -1.98 115.11 116.25 2qbe h GLN 104 Ca 0.05 -0.23 0.13 0.00 0.06 0.00 0.00 58.65 58.67 2qbe h GLN 104 Cb 0.23 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 2qbe h GLN 104 CO -0.00 0.96 0.45 -0.07 -0.67 0.00 0.00 178.83 179.49 2qbe h LEU 105 N 1.11 0.58 -0.24 1.46 3.38 -1.29 0.14 115.31 120.45 2qbe h LEU 105 Ca 0.25 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2qbe h LEU 105 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qbe h LEU 105 CO -0.01 0.28 0.09 -0.61 0.09 0.00 0.00 178.44 178.27 2qbe h GLN 106 N 0.68 0.36 0.04 1.13 4.15 -0.97 -0.39 115.11 120.11 2qbe h GLN 106 Ca 0.44 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.82 2qbe h GLN 106 Cb 0.55 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2qbe h GLN 106 CO -0.32 0.42 -0.30 0.93 -1.93 0.00 0.00 178.83 177.63 2qbe h GLU 107 N 0.23 -0.46 -0.65 1.69 5.08 -0.29 0.20 114.58 120.38 2qbe h GLU 107 Ca 0.08 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2qbe h GLU 107 Cb 0.20 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2qbe h GLU 107 CO -0.00 -0.31 0.43 0.82 -1.00 0.00 0.00 179.01 178.95 2qbe h ILE 108 N -0.48 1.03 -0.13 3.13 2.04 -0.73 0.94 117.51 123.32 2qbe h ILE 108 Ca 0.05 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 2qbe h ILE 108 Cb 0.54 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2qbe h ILE 108 CO -0.23 0.13 -0.28 0.00 0.00 0.00 0.00 178.15 177.77 2qbe h ALA 109 N 1.64 1.30 -0.19 1.87 0.00 0.39 -1.65 119.26 122.63 2qbe h ALA 109 Ca 0.27 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2qbe h ALA 109 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbe h ALA 109 CO -0.08 0.48 -0.26 1.96 0.00 0.00 0.00 179.25 181.35 2qbe h GLN 110 N 0.21 0.51 -0.08 0.00 4.20 0.17 -0.52 115.11 119.59 2qbe h GLN 110 Ca 0.03 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2qbe h GLN 110 Cb 0.61 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2qbe h GLN 110 CO 0.04 0.89 0.05 1.15 -0.67 0.00 0.00 178.83 180.29 2qbe h THR 111 N 0.16 1.04 -0.00 -0.54 2.02 -0.95 -2.53 112.91 112.11 2qbe h THR 111 Ca 0.02 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2qbe h THR 111 Cb 0.83 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2qbe h THR 111 CO 0.06 0.04 -0.03 0.29 0.37 0.00 0.00 175.52 176.25 2qbe n LYS 112 N -5.02 0.78 -0.37 6.66 5.02 -0.64 -4.08 118.16 120.50 2qbe n LYS 112 Ca -0.06 -0.13 0.30 0.00 -2.02 0.00 0.00 58.31 56.40 2qbe n LYS 112 Cb 0.04 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.14 2qbe n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbe h ALA 113 N 3.73 2.52 -0.55 7.82 0.00 -0.63 0.25 119.26 132.40 2qbe h ALA 113 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qbe h ALA 113 Cb 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2qbe h ALA 113 CO 0.00 -1.01 0.30 0.00 0.00 0.00 0.00 179.25 178.54 2qbe h ALA 114 N 1.59 0.71 0.00 0.00 0.00 -1.78 -2.93 119.26 116.85 2qbe h ALA 114 Ca 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2qbe h ALA 114 Cb 2.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2qbe h ALA 114 CO -0.32 0.23 -0.68 -0.44 0.00 0.00 0.00 179.25 178.04 2qbe h ASP 115 N 0.74 0.00 -4.06 0.00 3.32 -1.00 -3.47 116.42 111.96 2qbe h ASP 115 Ca 0.19 -0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.75 2qbe h ASP 115 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qbe h ASP 115 CO -0.03 0.02 0.36 -0.04 -1.72 0.00 0.00 179.24 177.83 2qbe s MET 116 N -3.29 4.10 0.00 3.56 -1.94 0.55 -4.97 119.30 117.32 2qbe s MET 116 Ca 0.03 1.20 0.23 0.00 -1.71 0.00 0.00 55.69 55.45 2qbe s MET 116 Cb 0.09 -2.16 0.20 0.00 2.01 0.00 0.00 34.83 34.97 2qbe s MET 116 CO 0.74 -0.16 1.20 0.25 -0.01 0.00 0.00 175.02 177.05 2qbe n THR 117 N -0.72 0.00 -1.55 2.05 -2.24 -1.26 -4.90 114.28 105.65 2qbe n THR 117 Ca 0.08 -0.11 -0.53 0.00 -2.27 0.00 0.00 64.05 61.21 2qbe n THR 117 Cb 0.53 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 2qbe n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbe n GLY 118 N 1.44 0.06 0.19 3.38 0.00 -1.26 -4.88 105.19 104.11 2qbe n GLY 118 Ca 0.08 0.66 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 2qbe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe h ALA 119 N 3.68 0.42 -1.99 4.61 0.00 -1.95 -3.46 119.26 120.57 2qbe h ALA 119 Ca -0.47 -0.64 -0.49 0.00 0.00 0.00 0.00 54.91 53.32 2qbe h ALA 119 Cb 1.37 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2qbe h ALA 119 CO 0.71 0.75 -0.61 -0.51 0.00 0.00 0.00 179.25 179.60 2qbe s ASP 120 N -7.07 2.52 0.25 0.00 1.01 -1.26 -5.05 116.67 107.08 2qbe s ASP 120 Ca -0.07 -1.38 -0.05 0.00 0.71 0.00 0.00 52.55 51.76 2qbe s ASP 120 Cb 0.09 -0.10 0.30 0.00 1.01 0.00 0.00 42.92 44.22 2qbe s ASP 120 CO 0.87 -0.60 1.85 0.40 0.21 0.00 0.00 175.17 177.90 2qbe h ILE 121 N 2.07 1.24 -0.53 0.77 2.04 -2.00 -2.45 117.51 118.66 2qbe h ILE 121 Ca -0.41 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 64.77 2qbe h ILE 121 Cb 1.24 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2qbe h ILE 121 CO 0.71 0.29 0.35 -0.33 0.00 0.00 0.00 178.15 179.16 2qbe h GLU 122 N 1.09 0.69 0.51 2.37 3.07 -1.99 -2.06 114.58 118.26 2qbe h GLU 122 Ca 0.26 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 2qbe h GLU 122 Cb 0.11 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2qbe h GLU 122 CO -0.03 0.46 -0.39 0.00 -1.40 0.00 0.00 179.01 177.64 2qbe h ALA 123 N 1.19 -0.92 -0.82 3.43 0.00 -1.86 -1.56 119.26 118.72 2qbe h ALA 123 Ca 0.19 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2qbe h ALA 123 Cb -0.08 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2qbe h ALA 123 CO -0.04 -1.05 0.54 0.00 0.00 0.00 0.00 179.25 178.69 2qbe h MET 124 N -0.89 0.64 -0.50 0.00 -0.00 -1.38 -0.64 114.93 112.17 2qbe h MET 124 Ca -0.05 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.56 2qbe h MET 124 Cb 0.75 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 32.19 2qbe h MET 124 CO 0.00 0.43 0.14 1.15 -0.00 0.00 0.00 176.91 178.63 2qbe h THR 125 N 0.66 1.23 -1.00 -0.10 2.02 -1.00 -1.43 112.91 113.30 2qbe h THR 125 Ca 0.40 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2qbe h THR 125 Cb 0.62 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 2qbe h THR 125 CO -0.16 0.29 0.66 0.03 0.37 0.00 0.00 175.52 176.70 2qbe h ARG 126 N 0.67 1.26 -0.50 6.66 3.08 -0.13 -1.23 114.38 124.19 2qbe h ARG 126 Ca 0.16 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2qbe h ARG 126 Cb 0.29 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2qbe h ARG 126 CO -0.00 0.83 0.12 0.77 -1.07 0.00 0.00 179.97 180.62 2qbe h SER 127 N 1.29 0.76 -0.36 7.04 0.02 -0.93 -2.38 113.55 118.99 2qbe h SER 127 Ca 0.39 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2qbe h SER 127 Cb -0.05 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2qbe h SER 127 CO -0.11 0.79 0.19 0.40 -1.14 0.00 0.00 176.83 176.97 2qbe h ILE 128 N 0.69 1.13 -0.84 3.27 1.08 -0.55 -1.76 117.51 120.53 2qbe h ILE 128 Ca 0.16 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2qbe h ILE 128 Cb 0.33 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 2qbe h ILE 128 CO 0.00 0.15 0.47 -0.33 -0.69 0.00 0.00 178.15 177.76 2qbe h GLU 129 N 0.54 1.16 -0.55 2.37 5.08 -0.74 -2.19 114.58 120.25 2qbe h GLU 129 Ca 0.14 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2qbe h GLU 129 Cb 0.05 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2qbe h GLU 129 CO -0.02 0.83 0.37 0.78 -1.00 0.00 0.00 179.01 179.97 2qbe h GLY 130 N 1.19 0.75 1.17 -3.84 0.00 -1.07 -0.86 103.07 100.40 2qbe h GLY 130 Ca 0.30 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 2qbe h GLY 130 CO -0.05 0.25 -0.50 -0.91 0.00 0.00 0.00 176.54 175.33 2qbe h THR 131 N 0.69 1.27 -0.24 4.70 1.35 -1.38 -2.95 112.91 116.36 2qbe h THR 131 Ca 0.21 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.38 2qbe h THR 131 Cb 0.02 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2qbe h THR 131 CO -0.05 0.55 0.09 0.00 -0.25 0.00 0.00 175.52 175.86 2qbe h ALA 132 N 0.73 0.31 -0.15 6.62 0.00 -0.97 -2.49 119.26 123.31 2qbe h ALA 132 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qbe h ALA 132 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qbe h ALA 132 CO 0.11 -0.09 0.11 0.00 0.00 0.00 0.00 179.25 179.39 2qbe h ARG 133 N 0.22 0.00 0.00 0.00 3.08 -1.19 -0.60 114.38 115.88 2qbe h ARG 133 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2qbe h ARG 133 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qbe h ARG 133 CO -0.00 0.00 -0.29 0.77 -1.07 0.00 0.00 179.97 179.37 2qbe h SER 134 N 0.00 0.00 -0.34 7.04 0.02 -1.29 -3.30 113.55 115.68 2qbe h SER 134 Ca 0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2qbe h SER 134 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2qbe h SER 134 CO -0.00 0.04 0.00 1.15 -1.14 0.00 0.00 176.83 176.88 2qbe n MET 135 N -2.34 2.89 -2.17 3.45 0.00 -0.52 -4.73 117.12 113.70 2qbe n MET 135 Ca 0.04 -2.14 -0.08 0.00 0.00 0.00 0.00 57.70 55.52 2qbe n MET 135 Cb 0.45 -1.34 -0.00 0.00 0.00 0.00 0.00 33.22 32.34 2qbe n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qbe n GLY 136 N 0.41 0.04 3.18 3.17 0.00 -0.86 -2.09 105.19 109.04 2qbe n GLY 136 Ca 0.13 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2qbe n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 137 N -2.33 4.08 0.56 0.99 1.43 -0.35 -2.55 118.68 120.50 2qbe s LEU 137 Ca 0.00 -1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 51.63 2qbe s LEU 137 Cb -0.00 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2qbe s LEU 137 CO 0.00 -0.29 1.01 -0.69 0.23 0.00 0.00 176.35 176.61 2qbe s VAL 138 N 1.26 4.52 -0.09 -1.59 1.01 -1.05 -4.11 120.40 120.35 2qbe s VAL 138 Ca -0.03 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2qbe s VAL 138 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2qbe s VAL 138 CO -0.01 -0.82 -0.19 0.68 0.00 0.00 0.00 175.10 174.76 2qbe s VAL 139 N -2.79 2.53 -0.36 2.92 -7.23 -1.26 0.07 120.40 114.28 2qbe s VAL 139 Ca 0.58 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.74 2qbe s VAL 139 Cb -0.11 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2qbe s VAL 139 CO 0.39 0.55 0.31 -0.70 -0.31 0.00 0.00 175.10 175.34 2qbe s GLU 140 N 0.08 3.40 0.00 4.82 2.56 0.01 -4.89 118.70 124.67 2qbe s GLU 140 Ca -0.09 -0.64 0.28 0.00 0.00 0.00 0.00 54.97 54.52 2qbe s GLU 140 Cb -0.15 -3.85 1.06 0.00 2.00 0.00 0.00 34.13 33.19 2qbe s GLU 140 CO 0.05 -0.56 1.75 -0.25 -0.56 0.00 0.00 175.26 175.70