#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n MET 2 N 0.00 0.85 0.15 4.33 0.00 -1.26 -4.57 117.12 116.61 2qbb n MET 2 Ca 0.00 -2.05 0.11 0.00 0.00 0.00 0.00 57.70 55.75 2qbb n MET 2 Cb 0.00 -3.78 0.06 0.00 0.00 0.00 0.00 33.22 29.51 2qbb n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2qbb h GLN 3 N 10.58 0.00 -3.07 2.12 4.20 -2.07 -3.42 115.11 123.45 2qbb h GLN 3 Ca 0.12 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.29 2qbb h GLN 3 Cb 0.95 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.33 2qbb h GLN 3 CO 1.17 0.04 -0.77 0.34 -0.67 0.00 0.00 178.83 178.94 2qbb s ASP 4 N -5.78 3.65 0.12 1.46 3.68 -1.26 -4.98 116.67 113.57 2qbb s ASP 4 Ca 0.03 -1.37 -0.14 0.00 2.13 0.00 0.00 52.55 53.19 2qbb s ASP 4 Cb 0.08 -0.53 -0.03 0.00 -1.45 0.00 0.00 42.92 40.99 2qbb s ASP 4 CO 0.74 -0.43 1.53 1.55 0.13 0.00 0.00 175.17 178.69 2qbb h PRO 5 N 8.30 0.77 -0.06 4.34 0.13 -1.98 -3.27 132.00 140.22 2qbb h PRO 5 Ca -0.18 -0.30 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2qbb h PRO 5 Cb 1.02 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.05 2qbb h PRO 5 CO 0.44 0.91 -0.31 0.82 -0.23 0.00 0.00 178.00 179.63 2qbb h ILE 6 N 0.58 0.31 -0.85 -3.56 1.08 -2.00 -1.80 117.51 111.27 2qbb h ILE 6 Ca 0.10 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.78 2qbb h ILE 6 Cb 0.63 0.31 -0.13 0.00 -3.07 0.00 0.00 36.82 34.56 2qbb h ILE 6 CO 0.04 0.00 0.23 0.00 -0.69 0.00 0.00 178.15 177.74 2qbb h ALA 7 N 0.35 1.21 -0.07 1.87 0.00 -1.97 0.38 119.26 121.03 2qbb h ALA 7 Ca 0.08 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2qbb h ALA 7 Cb 0.55 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2qbb h ALA 7 CO -0.30 -0.42 -0.07 0.22 0.00 0.00 0.00 179.25 178.68 2qbb h ASP 8 N 0.24 -0.20 -0.45 0.00 1.82 -1.39 0.44 116.42 116.88 2qbb h ASP 8 Ca 0.52 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 57.26 2qbb h ASP 8 Cb 1.01 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 41.07 2qbb h ASP 8 CO -0.61 -0.09 0.17 -0.03 -1.61 0.00 0.00 179.24 177.07 2qbb h MET 9 N -0.08 0.34 0.21 0.28 4.05 -0.59 0.29 114.93 119.43 2qbb h MET 9 Ca 0.05 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2qbb h MET 9 Cb 0.16 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2qbb h MET 9 CO -0.12 0.23 -0.10 -0.07 0.23 0.00 0.00 176.91 177.07 2qbb h LEU 10 N 0.35 -0.23 -0.55 3.39 3.38 -0.72 -2.58 115.31 118.36 2qbb h LEU 10 Ca 0.21 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2qbb h LEU 10 Cb 0.19 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2qbb h LEU 10 CO -0.20 -0.05 0.34 0.71 0.09 0.00 0.00 178.44 179.33 2qbb h THR 11 N -0.41 1.08 -0.88 0.22 1.35 0.16 -2.35 112.91 112.08 2qbb h THR 11 Ca -0.03 -0.23 0.09 0.00 -0.55 0.00 0.00 66.41 65.69 2qbb h THR 11 Cb 0.32 0.35 -0.06 0.00 -1.73 0.00 0.00 68.15 67.02 2qbb h THR 11 CO 0.05 0.12 0.57 0.03 -0.25 0.00 0.00 175.52 176.04 2qbb h ARG 12 N 0.67 0.86 0.51 4.72 3.08 -0.36 -0.31 114.38 123.55 2qbb h ARG 12 Ca 0.22 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2qbb h ARG 12 Cb -0.00 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.86 2qbb h ARG 12 CO -0.08 0.57 -0.25 0.82 -1.07 0.00 0.00 179.97 179.96 2qbb h ILE 13 N 0.89 0.46 -0.73 2.04 2.04 -1.01 -2.29 117.51 118.90 2qbb h ILE 13 Ca 0.41 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2qbb h ILE 13 Cb 0.39 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2qbb h ILE 13 CO -0.17 0.04 0.37 0.08 0.00 0.00 0.00 178.15 178.47 2qbb h ARG 14 N -0.84 1.05 -0.28 2.37 0.11 -1.30 -1.01 114.38 114.48 2qbb h ARG 14 Ca -0.07 -0.14 0.08 0.00 0.10 0.00 0.00 59.98 59.95 2qbb h ARG 14 Cb 0.59 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2qbb h ARG 14 CO 0.12 0.80 0.20 -0.91 0.10 0.00 0.00 179.97 180.28 2qbb h ASN 15 N 1.02 0.01 0.03 0.08 2.35 -1.04 -2.14 115.58 115.90 2qbb h ASN 15 Ca 0.25 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2qbb h ASN 15 Cb 0.09 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.46 2qbb h ASN 15 CO -0.04 0.01 -0.22 1.23 -1.65 0.00 0.00 177.43 176.77 2qbb h GLY 16 N 0.01 0.10 -0.37 2.83 0.00 -0.71 -2.98 103.07 101.95 2qbb h GLY 16 Ca 0.13 -0.24 0.34 0.00 0.00 0.00 0.00 47.33 47.56 2qbb h GLY 16 CO -0.00 0.21 0.84 1.46 0.00 0.00 0.00 176.54 179.04 2qbb h GLN 17 N -0.78 0.05 0.14 4.80 1.08 -0.59 0.48 115.11 120.28 2qbb h GLN 17 Ca -0.04 -0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.86 2qbb h GLN 17 Cb 1.13 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 2qbb h GLN 17 CO 0.04 0.03 -1.42 0.00 -0.95 0.00 0.00 178.83 176.54 2qbb h ALA 18 N 1.43 0.14 -0.14 3.87 0.00 -1.50 -3.26 119.26 119.81 2qbb h ALA 18 Ca 0.58 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qbb h ALA 18 Cb 2.19 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2qbb h ALA 18 CO -0.05 1.01 0.00 0.00 0.00 0.00 0.00 179.25 180.21 2qbb n ALA 19 N -2.63 2.53 -1.87 0.00 0.00 0.14 -4.89 120.51 113.79 2qbb n ALA 19 Ca -0.14 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 2qbb n ALA 19 Cb 1.05 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 2qbb n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbb n ASN 20 N -0.02 -4.61 -4.76 0.00 3.02 0.59 -4.90 115.26 104.57 2qbb n ASN 20 Ca 0.13 0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 54.55 2qbb n ASN 20 Cb 0.22 -4.04 -0.01 0.00 -0.61 0.00 0.00 39.78 35.34 2qbb n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qbb s LYS 21 N -4.09 4.11 0.10 3.52 -0.14 -0.98 -4.92 119.74 117.33 2qbb s LYS 21 Ca 0.00 2.58 -0.34 0.00 -1.36 0.00 0.00 55.97 56.85 2qbb s LYS 21 Cb 0.00 -3.00 -0.14 0.00 -1.68 0.00 0.00 37.83 33.01 2qbb s LYS 21 CO 0.00 -0.59 1.58 0.00 -0.76 0.00 0.00 175.35 175.57 2qbb h ALA 22 N 4.06 -0.97 -3.00 5.17 0.00 -1.92 -3.43 119.26 119.16 2qbb h ALA 22 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2qbb h ALA 22 Cb 1.23 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2qbb h ALA 22 CO 0.73 -1.10 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2qbb n ALA 23 N -2.82 0.00 -3.64 0.00 0.00 -1.26 -2.49 120.51 110.31 2qbb n ALA 23 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 2qbb n ALA 23 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 2qbb n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbb s VAL 24 N 1.16 0.00 0.49 0.00 0.11 0.10 -4.76 120.40 117.49 2qbb s VAL 24 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2qbb s VAL 24 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2qbb s VAL 24 CO 0.00 0.00 0.15 0.42 -3.33 0.00 0.00 175.10 172.34 2qbb s THR 25 N -0.09 1.65 0.00 5.04 -4.23 -1.26 -0.50 115.64 116.26 2qbb s THR 25 Ca 0.05 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2qbb s THR 25 Cb -0.04 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2qbb s THR 25 CO -0.09 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.14 2qbb n MET 26 N -1.36 0.00 -1.97 3.99 0.00 -1.26 -4.91 117.12 111.61 2qbb n MET 26 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 2qbb n MET 26 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.85 2qbb n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qbb s PRO 27 N -2.00 3.99 1.02 3.17 0.04 -1.26 -1.82 135.00 138.14 2qbb s PRO 27 Ca 0.00 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 2qbb s PRO 27 Cb 0.00 -4.05 0.21 0.00 0.04 0.00 0.00 34.50 30.70 2qbb s PRO 27 CO 0.00 -1.08 1.21 -1.54 0.04 0.00 0.00 177.00 175.63 2qbb s SER 28 N 4.09 2.60 -0.20 6.66 1.04 -1.15 -4.94 113.70 121.80 2qbb s SER 28 Ca 0.77 0.57 -0.34 0.00 0.48 0.00 0.00 55.95 57.43 2qbb s SER 28 Cb -0.32 -0.82 0.15 0.00 0.10 0.00 0.00 66.02 65.12 2qbb s SER 28 CO 0.31 -3.08 1.21 -0.94 0.98 0.00 0.00 173.24 171.73 2qbb s SER 29 N -4.36 -0.14 0.06 7.02 1.04 -1.26 -4.90 113.70 111.15 2qbb s SER 29 Ca 0.70 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 2qbb s SER 29 Cb -0.09 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2qbb s SER 29 CO 0.54 -0.21 1.01 1.17 0.98 0.00 0.00 173.24 176.72 2qbb n LYS 30 N 0.07 -0.17 0.06 4.02 4.81 -1.26 -1.16 118.16 124.53 2qbb n LYS 30 Ca -0.01 1.00 -0.12 0.00 -0.87 0.00 0.00 58.31 58.31 2qbb n LYS 30 Cb 0.58 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 34.08 2qbb n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qbb h LEU 31 N 0.00 -0.04 -0.87 3.14 5.85 -1.99 -2.15 115.31 119.25 2qbb h LEU 31 Ca 0.06 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.00 2qbb h LEU 31 Cb 0.15 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 41.07 2qbb h LEU 31 CO -0.35 -0.03 0.32 0.11 -0.34 0.00 0.00 178.44 178.15 2qbb h LYS 32 N -0.05 0.33 0.48 1.25 1.57 -1.70 -0.43 116.57 118.01 2qbb h LYS 32 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2qbb h LYS 32 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2qbb h LYS 32 CO 0.01 0.22 -0.23 0.28 -0.57 0.00 0.00 179.45 179.15 2qbb h VAL 33 N 0.34 0.45 -0.60 0.50 2.07 -0.84 -1.84 116.25 116.32 2qbb h VAL 33 Ca 0.54 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.80 2qbb h VAL 33 Cb 1.02 0.60 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 2qbb h VAL 33 CO -0.55 0.06 -0.21 0.00 0.02 0.00 0.00 177.57 176.88 2qbb h ALA 34 N -0.51 0.27 0.28 1.67 0.00 -0.64 0.21 119.26 120.55 2qbb h ALA 34 Ca -0.07 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qbb h ALA 34 Cb 0.58 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2qbb h ALA 34 CO 0.11 -0.50 -0.21 0.82 0.00 0.00 0.00 179.25 179.47 2qbb h ILE 35 N -0.06 0.55 -0.80 0.00 2.04 -1.12 -1.87 117.51 116.26 2qbb h ILE 35 Ca 0.28 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.31 2qbb h ILE 35 Cb 0.49 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2qbb h ILE 35 CO -0.65 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.04 2qbb h ALA 36 N 0.18 2.19 0.89 1.87 0.00 -0.37 -1.69 119.26 122.33 2qbb h ALA 36 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qbb h ALA 36 Cb 0.43 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qbb h ALA 36 CO -0.00 -0.42 -0.43 -0.97 0.00 0.00 0.00 179.25 177.42 2qbb h ASN 37 N 0.38 -1.02 -0.77 0.00 -0.00 0.17 -2.04 115.58 112.30 2qbb h ASN 37 Ca 0.40 0.03 0.20 0.00 -0.00 0.00 0.00 56.30 56.93 2qbb h ASN 37 Cb 1.00 0.26 -0.04 0.00 -0.00 0.00 0.00 38.32 39.54 2qbb h ASN 37 CO -0.13 -0.71 0.54 0.58 -0.00 0.00 0.00 177.43 177.71 2qbb h VAL 38 N -1.23 0.67 -0.16 2.57 2.07 -0.84 0.40 116.25 119.73 2qbb h VAL 38 Ca -0.12 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2qbb h VAL 38 Cb 0.92 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2qbb h VAL 38 CO 0.20 0.03 -0.29 -0.07 0.02 0.00 0.00 177.57 177.46 2qbb h LEU 39 N 0.15 0.29 0.00 2.57 3.38 -0.82 -1.21 115.31 119.68 2qbb h LEU 39 Ca 0.38 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2qbb h LEU 39 Cb 1.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2qbb h LEU 39 CO -0.06 0.58 -0.39 0.50 0.09 0.00 0.00 178.44 179.17 2qbb h LYS 40 N 0.26 0.00 -0.16 1.13 3.64 0.34 0.29 116.57 122.07 2qbb h LYS 40 Ca 0.04 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2qbb h LYS 40 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2qbb h LYS 40 CO 0.05 0.92 0.18 0.93 -2.27 0.00 0.00 179.45 179.25 2qbb h GLU 41 N -1.00 0.00 0.00 1.90 4.39 -0.82 -0.76 114.58 118.29 2qbb h GLU 41 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2qbb h GLU 41 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2qbb h GLU 41 CO -0.06 0.00 -0.88 0.39 -1.16 0.00 0.00 179.01 177.29 2qbb n GLU 42 N -3.81 0.15 -0.69 2.33 -0.58 -0.46 -5.01 120.64 112.57 2qbb n GLU 42 Ca 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2qbb n GLU 42 Cb 0.29 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2qbb n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbb n GLY 43 N 1.43 0.65 0.00 0.62 0.00 -0.29 -5.03 105.19 102.57 2qbb n GLY 43 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2qbb n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbb n PHE 44 N -0.59 0.00 -3.73 1.61 3.72 0.08 -5.01 117.46 113.54 2qbb n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2qbb n PHE 44 Cb 0.23 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 2qbb n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qbb s ILE 45 N -0.07 -0.06 0.04 4.37 -4.36 -1.18 -3.46 121.20 116.47 2qbb s ILE 45 Ca 0.00 0.17 -0.08 0.00 -0.26 0.00 0.00 60.65 60.48 2qbb s ILE 45 Cb 0.00 -0.34 -0.02 0.00 1.25 0.00 0.00 42.46 43.35 2qbb s ILE 45 CO 0.00 0.07 1.14 -0.33 0.24 0.00 0.00 174.94 176.05 2qbb h GLU 46 N 7.28 -0.04 0.00 0.37 5.08 -1.80 -3.40 114.58 122.07 2qbb h GLU 46 Ca -0.40 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2qbb h GLU 46 Cb 1.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2qbb h GLU 46 CO 0.37 -0.03 0.10 -3.47 -1.00 0.00 0.00 179.01 174.98 2qbb n ASP 47 N -3.49 -1.21 -3.56 1.42 2.03 -1.26 -4.98 116.55 105.49 2qbb n ASP 47 Ca -0.00 -1.99 -0.17 0.00 0.52 0.00 0.00 54.79 53.15 2qbb n ASP 47 Cb 0.07 2.06 -0.06 0.00 -0.72 0.00 0.00 41.12 42.47 2qbb n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qbb s PHE 48 N -4.66 -0.66 -0.12 -0.67 -0.71 -1.26 -2.22 117.98 107.68 2qbb s PHE 48 Ca 0.11 1.26 -0.05 0.00 -1.04 0.00 0.00 56.93 57.21 2qbb s PHE 48 Cb -0.02 0.36 0.06 0.00 -1.21 0.00 0.00 43.02 42.20 2qbb s PHE 48 CO 0.08 -0.54 0.27 0.21 -1.34 0.00 0.00 175.22 173.90 2qbb s LYS 49 N -0.83 0.19 -0.48 1.99 2.47 -0.79 -4.96 119.74 117.33 2qbb s LYS 49 Ca -0.09 0.68 -0.26 0.00 -1.56 0.00 0.00 55.97 54.75 2qbb s LYS 49 Cb -0.01 -0.05 0.03 0.00 -1.46 0.00 0.00 37.83 36.33 2qbb s LYS 49 CO 0.08 -0.23 0.95 0.54 0.16 0.00 0.00 175.35 176.84 2qbb s VAL 50 N 1.96 4.43 0.00 4.02 0.11 -1.26 0.11 120.40 129.78 2qbb s VAL 50 Ca -0.03 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 2qbb s VAL 50 Cb -0.11 -4.47 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 2qbb s VAL 50 CO -0.09 -0.90 0.00 -0.62 -3.33 0.00 0.00 175.10 170.17 2qbb n GLU 51 N 7.28 0.97 -1.27 1.54 1.02 -1.24 -4.76 120.64 124.18 2qbb n GLU 51 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2qbb n GLU 51 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 2qbb n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbb n GLY 52 N 5.00 -4.40 0.00 0.62 0.00 -1.26 -0.93 105.19 104.22 2qbb n GLY 52 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2qbb n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbb n ASP 53 N -0.34 0.00 0.06 1.61 10.43 -1.26 -4.22 116.55 122.83 2qbb n ASP 53 Ca 0.00 0.18 -0.11 0.00 2.57 0.00 0.00 54.79 57.43 2qbb n ASP 53 Cb 0.00 -0.34 -0.01 0.00 1.84 0.00 0.00 41.12 42.61 2qbb n ASP 53 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qbb h THR 54 N 0.00 1.40 -3.51 -3.53 1.03 -2.05 -3.39 112.91 102.88 2qbb h THR 54 Ca 0.00 -2.35 -0.69 0.00 -0.01 0.00 0.00 66.41 63.36 2qbb h THR 54 Cb 0.00 2.30 -0.35 0.00 -1.07 0.00 0.00 68.15 69.03 2qbb h THR 54 CO 0.00 0.70 -0.52 -0.54 -0.01 0.00 0.00 175.52 175.16 2qbb s LYS 55 N -3.40 2.11 0.42 0.00 -0.14 -1.26 -5.09 119.74 112.38 2qbb s LYS 55 Ca -0.05 -2.04 -0.25 0.00 -1.36 0.00 0.00 55.97 52.26 2qbb s LYS 55 Cb 0.10 -3.59 -0.08 0.00 -1.68 0.00 0.00 37.83 32.58 2qbb s LYS 55 CO 0.85 -1.09 1.25 -1.25 -0.76 0.00 0.00 175.35 174.35 2qbb s PRO 56 N 0.75 3.90 0.00 -1.68 0.04 -1.26 -4.14 135.00 132.62 2qbb s PRO 56 Ca 0.11 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2qbb s PRO 56 Cb -0.22 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2qbb s PRO 56 CO -0.04 -0.50 0.00 -1.91 0.04 0.00 0.00 177.00 174.59 2qbb n GLU 57 N -0.05 3.28 -2.98 4.56 4.07 -0.10 -2.91 120.64 126.50 2qbb n GLU 57 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2qbb n GLU 57 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2qbb n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2qbb s LEU 58 N 0.00 -1.03 -1.12 4.31 0.20 -0.76 -3.57 118.68 116.71 2qbb s LEU 58 Ca 0.00 -0.65 -0.23 0.00 0.69 0.00 0.00 54.13 53.95 2qbb s LEU 58 Cb 0.00 1.33 -0.11 0.00 -0.43 0.00 0.00 46.19 46.98 2qbb s LEU 58 CO 0.00 -0.10 1.94 -0.62 -0.29 0.00 0.00 176.35 177.28 2qbb n GLU 59 N 3.89 1.50 -3.05 1.98 1.02 0.31 -4.02 120.64 122.27 2qbb n GLU 59 Ca 0.10 -2.34 -0.42 0.00 -0.02 0.00 0.00 57.16 54.48 2qbb n GLU 59 Cb 0.60 -3.63 -0.06 0.00 -0.02 0.00 0.00 31.44 28.32 2qbb n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qbb s LEU 60 N 10.04 4.24 -0.14 -4.62 0.20 0.35 -1.88 118.68 126.87 2qbb s LEU 60 Ca 0.68 0.14 -0.19 0.00 0.69 0.00 0.00 54.13 55.44 2qbb s LEU 60 Cb 0.01 -2.87 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 2qbb s LEU 60 CO 0.14 -0.68 0.54 0.42 -0.29 0.00 0.00 176.35 176.47 2qbb s THR 61 N 2.89 5.13 0.17 3.68 -4.23 -0.94 0.00 115.64 122.34 2qbb s THR 61 Ca 0.27 1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 61.55 2qbb s THR 61 Cb -0.14 -3.87 -0.08 0.00 1.34 0.00 0.00 72.50 69.75 2qbb s THR 61 CO 0.17 0.25 0.89 -0.76 -0.54 0.00 0.00 174.62 174.63 2qbb s LEU 62 N 1.04 4.58 0.08 4.79 1.02 -1.04 -3.09 118.68 126.07 2qbb s LEU 62 Ca 0.28 1.78 -0.00 0.00 0.02 0.00 0.00 54.13 56.21 2qbb s LEU 62 Cb -0.16 -3.49 -0.04 0.00 0.02 0.00 0.00 46.19 42.52 2qbb s LEU 62 CO 0.11 0.10 0.24 -0.75 0.02 0.00 0.00 176.35 176.07 2qbb s LYS 63 N -0.74 3.46 -0.03 1.70 2.20 -1.23 -4.64 119.74 120.47 2qbb s LYS 63 Ca 0.41 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2qbb s LYS 63 Cb -0.24 -3.00 0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2qbb s LYS 63 CO 0.29 0.58 0.04 0.71 -0.36 0.00 0.00 175.35 176.61 2qbb s TYR 64 N -1.56 0.02 0.00 4.03 1.51 -1.26 -2.21 117.35 117.87 2qbb s TYR 64 Ca 0.36 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 2qbb s TYR 64 Cb -0.13 -0.27 0.00 0.00 -0.11 0.00 0.00 41.96 41.45 2qbb s TYR 64 CO 0.28 -0.11 0.01 0.34 -1.11 0.00 0.00 175.55 174.95 2qbb n PHE 65 N 4.40 0.00 0.00 2.71 7.35 -1.14 -4.88 117.46 125.89 2qbb n PHE 65 Ca -0.23 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.46 2qbb n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2qbb n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qbb n GLN 66 N -0.02 0.00 -0.82 -4.13 6.02 -1.26 -4.87 117.38 112.30 2qbb n GLN 66 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2qbb n GLN 66 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 2qbb n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbb n GLY 67 N 5.00 2.69 3.60 1.08 0.00 -1.26 -4.73 105.19 111.57 2qbb n GLY 67 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.05 2qbb n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbb s LYS 68 N 1.53 0.26 0.38 1.61 2.47 -1.26 -5.17 119.74 119.56 2qbb s LYS 68 Ca 0.54 -0.14 -0.07 0.00 -1.56 0.00 0.00 55.97 54.73 2qbb s LYS 68 Cb 0.24 0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.65 2qbb s LYS 68 CO -0.00 -0.12 0.69 0.00 0.16 0.00 0.00 175.35 176.08 2qbb s ALA 69 N -2.28 3.47 0.19 3.13 0.00 -1.26 -2.90 121.76 122.10 2qbb s ALA 69 Ca 0.14 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2qbb s ALA 69 Cb 0.05 -2.52 0.11 0.00 0.00 0.00 0.00 23.12 20.76 2qbb s ALA 69 CO -0.05 0.00 1.50 0.28 0.00 0.00 0.00 175.76 177.50 2qbb h VAL 70 N 0.98 1.32 -1.95 0.00 2.07 -1.77 -3.39 116.25 113.51 2qbb h VAL 70 Ca -0.47 -1.80 -0.64 0.00 0.82 0.00 0.00 66.70 64.60 2qbb h VAL 70 Cb 1.19 1.77 -0.14 0.00 -1.52 0.00 0.00 31.29 32.59 2qbb h VAL 70 CO 0.64 0.56 1.06 -0.69 0.02 0.00 0.00 177.57 179.16 2qbb s VAL 71 N -4.00 4.34 0.15 2.57 1.01 -1.26 -4.81 120.40 118.41 2qbb s VAL 71 Ca -0.07 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.91 2qbb s VAL 71 Cb 0.11 -4.88 -0.18 0.00 0.00 0.00 0.00 36.38 31.44 2qbb s VAL 71 CO 0.84 -1.68 1.34 1.05 0.00 0.00 0.00 175.10 176.65 2qbb h GLU 72 N 9.32 0.05 -2.23 2.72 9.09 -1.78 -3.45 114.58 128.29 2qbb h GLU 72 Ca 0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.44 2qbb h GLU 72 Cb 1.02 0.02 -0.23 0.00 -1.65 0.00 0.00 28.75 27.92 2qbb h GLU 72 CO 1.24 0.95 -0.15 0.45 0.05 0.00 0.00 179.01 181.54 2qbb s SER 73 N -6.80 -0.79 -0.15 3.06 0.15 -1.26 -5.09 113.70 102.82 2qbb s SER 73 Ca -0.00 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 2qbb s SER 73 Cb 0.10 1.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.96 2qbb s SER 73 CO 0.82 -0.22 0.29 -0.51 1.20 0.00 0.00 173.24 174.81 2qbb s ILE 74 N 2.06 -0.45 0.08 6.45 2.07 -1.26 -2.18 121.20 127.96 2qbb s ILE 74 Ca -0.08 0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2qbb s ILE 74 Cb -0.09 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 2qbb s ILE 74 CO -0.17 0.06 -0.06 -1.10 -1.91 0.00 0.00 174.94 171.76 2qbb s GLN 75 N 2.44 0.73 0.67 3.50 1.11 -1.26 -4.88 119.66 121.97 2qbb s GLN 75 Ca 0.02 -1.20 -0.11 0.00 0.01 0.00 0.00 55.36 54.08 2qbb s GLN 75 Cb -0.13 -0.14 -0.01 0.00 -1.01 0.00 0.00 33.01 31.73 2qbb s GLN 75 CO -0.10 -0.02 1.05 0.50 0.01 0.00 0.00 175.29 176.73 2qbb s ARG 76 N -3.42 3.15 0.00 2.91 6.06 -1.26 -1.77 118.95 124.62 2qbb s ARG 76 Ca 0.07 0.80 0.00 0.00 -2.50 0.00 0.00 55.73 54.10 2qbb s ARG 76 Cb 0.03 -2.03 0.00 0.00 0.06 0.00 0.00 34.95 33.01 2qbb s ARG 76 CO -0.05 -0.90 0.00 0.28 -2.50 0.00 0.00 175.30 172.13 2qbb n VAL 77 N -2.98 0.00 -0.87 7.11 0.31 -1.01 -4.80 118.33 116.10 2qbb n VAL 77 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 2qbb n VAL 77 Cb 0.54 -0.40 -0.12 0.00 -0.91 0.00 0.00 33.84 32.95 2qbb n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qbb n SER 78 N -2.04 4.78 -4.63 4.52 2.88 -1.26 -4.84 113.62 113.03 2qbb n SER 78 Ca 0.00 -2.34 -0.30 0.00 -1.33 0.00 0.00 58.87 54.90 2qbb n SER 78 Cb 0.00 -1.21 0.18 0.00 -0.75 0.00 0.00 64.21 62.44 2qbb n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbb s ARG 79 N 1.53 0.58 1.16 -1.46 1.70 -1.25 -4.59 118.95 116.62 2qbb s ARG 79 Ca 0.56 1.36 -0.15 0.00 -0.47 0.00 0.00 55.73 57.02 2qbb s ARG 79 Cb 0.25 -1.69 0.27 0.00 -0.57 0.00 0.00 34.95 33.21 2qbb s ARG 79 CO -0.01 -2.87 1.05 -1.25 -1.08 0.00 0.00 175.30 171.14 2qbb s PRO 80 N -4.61 -0.91 0.00 3.89 0.04 -1.26 -2.95 135.00 129.20 2qbb s PRO 80 Ca 0.67 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2qbb s PRO 80 Cb -0.23 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2qbb s PRO 80 CO 0.60 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.43 2qbb n GLY 81 N -0.05 0.10 2.68 0.56 0.00 -1.26 -4.60 105.19 102.62 2qbb n GLY 81 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2qbb n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbb n LEU 82 N 0.00 -1.67 -4.74 0.99 -0.00 -1.17 -5.17 117.00 105.25 2qbb n LEU 82 Ca 0.00 -1.58 -0.29 0.00 -0.00 0.00 0.00 56.01 54.14 2qbb n LEU 82 Cb 0.00 0.59 0.14 0.00 -0.00 0.00 0.00 43.42 44.15 2qbb n LEU 82 CO 0.00 1.44 0.68 -0.13 -0.00 0.00 0.00 177.39 179.38 2qbb s ARG 83 N 0.64 1.02 -0.13 1.96 1.81 -1.15 -3.79 118.95 119.30 2qbb s ARG 83 Ca 0.26 0.49 -0.04 0.00 -1.72 0.00 0.00 55.73 54.72 2qbb s ARG 83 Cb 0.15 -1.81 0.07 0.00 -0.45 0.00 0.00 34.95 32.91 2qbb s ARG 83 CO -0.10 -2.32 0.21 0.42 -0.68 0.00 0.00 175.30 172.82 2qbb s ILE 84 N -3.10 -0.33 -0.17 1.52 1.01 -1.26 -4.94 121.20 113.93 2qbb s ILE 84 Ca 0.64 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2qbb s ILE 84 Cb -0.17 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 41.88 2qbb s ILE 84 CO 0.55 0.04 -0.17 -0.31 0.00 0.00 0.00 174.94 175.05 2qbb s TYR 85 N 2.34 2.51 0.32 3.97 1.51 -1.26 -2.84 117.35 123.90 2qbb s TYR 85 Ca 0.04 -1.47 0.07 0.00 -1.01 0.00 0.00 57.07 54.69 2qbb s TYR 85 Cb -0.13 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2qbb s TYR 85 CO -0.08 -0.75 0.32 0.15 -1.11 0.00 0.00 175.55 174.07 2qbb s LYS 86 N 1.38 2.86 0.54 -0.62 -0.14 -0.85 -5.00 119.74 117.91 2qbb s LYS 86 Ca 0.04 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.46 2qbb s LYS 86 Cb -0.13 -2.57 0.02 0.00 -1.68 0.00 0.00 37.83 33.47 2qbb s LYS 86 CO -0.12 0.15 0.79 1.03 -0.76 0.00 0.00 175.35 176.44 2qbb s ARG 87 N -4.01 2.73 0.35 1.68 0.52 -1.26 -3.20 118.95 115.76 2qbb s ARG 87 Ca 0.40 -0.50 0.21 0.00 -0.52 0.00 0.00 55.73 55.31 2qbb s ARG 87 Cb -0.07 -2.44 1.12 0.00 0.52 0.00 0.00 34.95 34.08 2qbb s ARG 87 CO 0.27 -0.63 1.60 1.57 0.02 0.00 0.00 175.30 178.13 2qbb h LYS 88 N 0.06 0.00 -0.08 3.54 2.10 -1.91 0.38 116.57 120.66 2qbb h LYS 88 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2qbb h LYS 88 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2qbb h LYS 88 CO 0.56 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 2qbb n ASP 89 N -2.26 2.20 -0.00 7.07 5.68 -1.26 -4.57 116.55 123.40 2qbb n ASP 89 Ca -0.01 -1.99 0.05 0.00 -0.50 0.00 0.00 54.79 52.33 2qbb n ASP 89 Cb 0.13 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 2qbb n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbb n GLU 90 N -0.28 1.83 -1.68 0.11 1.02 0.13 -5.02 120.64 116.76 2qbb n GLU 90 Ca 0.03 -0.05 -0.60 0.00 -0.02 0.00 0.00 57.16 56.51 2qbb n GLU 90 Cb 0.29 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 2qbb n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbb n LEU 91 N -1.58 1.62 -4.78 -4.62 4.77 -0.93 -4.77 117.00 106.71 2qbb n LEU 91 Ca -0.00 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.77 2qbb n LEU 91 Cb 0.22 -1.04 0.03 0.00 -2.33 0.00 0.00 43.42 40.29 2qbb n LEU 91 CO 0.21 -0.83 0.74 -2.16 -1.33 0.00 0.00 177.39 174.01 2qbb s PRO 92 N 2.45 3.03 -0.62 3.23 0.04 -1.26 -5.02 135.00 136.86 2qbb s PRO 92 Ca 0.97 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2qbb s PRO 92 Cb -1.20 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 31.51 2qbb s PRO 92 CO 0.66 -1.06 0.48 0.15 0.04 0.00 0.00 177.00 177.27 2qbb s LYS 93 N -4.00 2.75 0.32 4.56 1.02 -1.26 -4.80 119.74 118.33 2qbb s LYS 93 Ca 0.66 -2.26 -0.29 0.00 0.02 0.00 0.00 55.97 54.10 2qbb s LYS 93 Cb -0.19 -3.94 -0.12 0.00 -0.52 0.00 0.00 37.83 33.05 2qbb s LYS 93 CO 0.38 -1.20 1.44 0.28 -0.92 0.00 0.00 175.35 175.33 2qbb n VAL 94 N 4.07 1.57 -4.35 3.17 0.31 -1.26 -2.80 118.33 119.03 2qbb n VAL 94 Ca 0.04 -0.39 -0.34 0.00 -0.01 0.00 0.00 64.34 63.64 2qbb n VAL 94 Cb 0.41 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 2qbb n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qbb n MET 95 N 1.18 -1.14 -0.92 5.55 0.00 -1.26 0.31 117.12 120.84 2qbb n MET 95 Ca 0.06 0.14 -0.05 0.00 -0.00 0.00 0.00 57.70 57.84 2qbb n MET 95 Cb 0.36 -4.00 -0.02 0.00 0.00 0.00 0.00 33.22 29.56 2qbb n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbb n ALA 96 N -4.43 -0.08 0.00 -5.12 0.00 -1.12 -0.65 120.51 109.10 2qbb n ALA 96 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qbb n ALA 96 Cb 0.63 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2qbb n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbb n GLY 97 N 0.28 0.95 0.00 0.00 0.00 0.15 -4.93 105.19 101.64 2qbb n GLY 97 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2qbb n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbb n LEU 98 N 0.00 0.00 0.00 0.99 4.77 0.17 -4.78 117.00 118.15 2qbb n LEU 98 Ca 0.00 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.02 2qbb n LEU 98 Cb 0.00 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 2qbb n LEU 98 CO 0.00 -0.08 -0.15 0.61 -1.33 0.00 0.00 177.39 176.43 2qbb n GLY 99 N 0.54 3.54 3.08 -0.72 0.00 -0.95 -4.90 105.19 105.78 2qbb n GLY 99 Ca 0.10 -2.33 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 2qbb n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qbb s ILE 100 N -2.44 0.63 -0.34 -0.61 -4.36 0.23 -4.57 121.20 109.74 2qbb s ILE 100 Ca 0.04 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 2qbb s ILE 100 Cb -0.00 -0.73 0.10 0.00 1.25 0.00 0.00 42.46 43.08 2qbb s ILE 100 CO 0.03 -0.38 0.07 0.00 0.24 0.00 0.00 174.94 174.89 2qbb s ALA 101 N -1.48 2.58 -0.18 2.27 0.00 -1.26 -1.94 121.76 121.75 2qbb s ALA 101 Ca -0.08 -2.36 -0.29 0.00 0.00 0.00 0.00 51.96 49.24 2qbb s ALA 101 Cb -0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2qbb s ALA 101 CO 0.00 -1.70 1.91 0.08 0.00 0.00 0.00 175.76 176.05 2qbb s VAL 102 N 1.02 3.30 -0.05 0.00 1.01 -1.06 -0.94 120.40 123.68 2qbb s VAL 102 Ca 0.11 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.48 2qbb s VAL 102 Cb -0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2qbb s VAL 102 CO -0.12 -0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 173.92 2qbb s VAL 103 N 6.29 1.77 -0.52 2.92 1.01 -0.20 -0.13 120.40 131.55 2qbb s VAL 103 Ca 0.86 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 2qbb s VAL 103 Cb -0.31 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2qbb s VAL 103 CO 0.34 0.50 0.82 -0.55 0.00 0.00 0.00 175.10 176.21 2qbb s SER 104 N -0.05 6.32 0.34 3.32 0.15 0.96 -1.94 113.70 122.79 2qbb s SER 104 Ca -0.04 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.22 2qbb s SER 104 Cb -0.13 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2qbb s SER 104 CO 0.03 -1.07 0.47 0.42 1.20 0.00 0.00 173.24 174.29 2qbb s THR 105 N 3.45 4.06 -2.00 6.45 -4.23 0.37 -1.57 115.64 122.17 2qbb s THR 105 Ca 0.26 -1.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.85 2qbb s THR 105 Cb -0.14 -3.40 0.20 0.00 1.34 0.00 0.00 72.50 70.50 2qbb s THR 105 CO 0.18 -0.16 0.84 -0.24 -0.54 0.00 0.00 174.62 174.70 2qbb n SER 106 N -1.64 0.00 -0.00 3.99 2.88 -1.26 -1.17 113.62 116.41 2qbb n SER 106 Ca 0.00 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2qbb n SER 106 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2qbb n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbb n LYS 107 N -0.83 2.58 0.00 -1.46 4.76 -1.26 -5.11 118.16 116.85 2qbb n LYS 107 Ca 0.05 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.10 2qbb n LYS 107 Cb 0.02 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2qbb n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbb n GLY 108 N -0.46 1.63 3.39 0.72 0.00 -0.32 -4.98 105.19 105.17 2qbb n GLY 108 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.47 2qbb n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbb s VAL 109 N -1.37 4.87 0.00 1.61 1.01 -1.26 -0.48 120.40 124.79 2qbb s VAL 109 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2qbb s VAL 109 Cb 0.00 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2qbb s VAL 109 CO 0.00 -1.22 0.00 1.15 0.00 0.00 0.00 175.10 175.03 2qbb n MET 110 N 6.15 2.21 -4.06 2.72 0.00 -0.82 -4.82 117.12 118.49 2qbb n MET 110 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.48 2qbb n MET 110 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.63 2qbb n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qbb s THR 111 N -0.00 4.70 0.14 3.17 -4.23 -1.26 -1.03 115.64 117.13 2qbb s THR 111 Ca 0.00 -1.19 -0.27 0.00 -1.18 0.00 0.00 61.69 59.05 2qbb s THR 111 Cb 0.00 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2qbb s THR 111 CO 0.00 -0.28 1.59 -2.24 -0.54 0.00 0.00 174.62 173.15 2qbb h ASP 112 N 1.66 -1.27 -0.22 3.99 2.03 -1.38 0.17 116.42 121.38 2qbb h ASP 112 Ca -0.49 0.19 0.06 0.00 -0.73 0.00 0.00 57.03 56.05 2qbb h ASP 112 Cb 1.23 0.55 -0.07 0.00 -0.83 0.00 0.00 39.33 40.20 2qbb h ASP 112 CO 0.62 -0.38 -0.34 -0.09 -1.03 0.00 0.00 179.24 178.02 2qbb h ARG 113 N -0.39 -0.35 0.87 4.15 1.12 -1.89 0.40 114.38 118.29 2qbb h ARG 113 Ca 0.11 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.97 2qbb h ARG 113 Cb 0.59 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2qbb h ARG 113 CO -0.47 -0.23 -0.50 0.00 -3.11 0.00 0.00 179.97 175.66 2qbb h ALA 114 N 0.48 -1.30 -0.58 2.80 0.00 -1.85 -2.64 119.26 116.18 2qbb h ALA 114 Ca 0.12 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2qbb h ALA 114 Cb 0.55 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2qbb h ALA 114 CO -0.42 -1.24 0.03 0.00 0.00 0.00 0.00 179.25 177.61 2qbb h ALA 115 N -1.22 0.59 -0.15 0.00 0.00 -0.48 -1.47 119.26 116.54 2qbb h ALA 115 Ca -0.12 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2qbb h ALA 115 Cb 1.00 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 2qbb h ALA 115 CO 0.14 -0.38 -0.46 -0.09 0.00 0.00 0.00 179.25 178.47 2qbb h ARG 116 N 0.14 -0.49 -0.43 0.00 2.43 -0.09 -1.81 114.38 114.13 2qbb h ARG 116 Ca 0.30 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 2qbb h ARG 116 Cb 0.47 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2qbb h ARG 116 CO -0.47 -0.33 0.20 1.96 -1.51 0.00 0.00 179.97 179.83 2qbb h GLN 117 N -0.51 0.40 -0.09 0.20 4.20 -1.07 -0.29 115.11 117.94 2qbb h GLN 117 Ca 0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2qbb h GLN 117 Cb 0.64 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2qbb h GLN 117 CO -0.42 0.26 0.34 0.00 -0.67 0.00 0.00 178.83 178.34 2qbb h ALA 118 N 1.24 1.51 0.00 3.87 0.00 -0.60 -3.45 119.26 121.83 2qbb h ALA 118 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qbb h ALA 118 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbb h ALA 118 CO -0.14 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.14 2qbb n GLY 119 N -1.28 0.62 3.13 0.00 0.00 -0.12 -5.07 105.19 102.48 2qbb n GLY 119 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2qbb n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qbb s LEU 120 N 0.00 2.07 0.55 0.99 2.34 -1.07 -4.91 118.68 118.65 2qbb s LEU 120 Ca 0.00 -0.33 0.07 0.00 0.06 0.00 0.00 54.13 53.94 2qbb s LEU 120 Cb 0.00 -0.74 0.05 0.00 -0.56 0.00 0.00 46.19 44.95 2qbb s LEU 120 CO 0.00 0.15 0.57 -0.83 -1.06 0.00 0.00 176.35 175.18 2qbb s GLY 121 N -0.58 2.08 0.00 -3.48 0.00 -1.26 -4.24 107.32 99.84 2qbb s GLY 121 Ca 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2qbb s GLY 121 CO -0.00 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.90 2qbb n GLY 122 N -1.95 0.98 3.62 0.20 0.00 -1.20 -4.28 105.19 102.56 2qbb n GLY 122 Ca 0.06 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2qbb n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbb s GLU 123 N -0.17 4.07 1.27 1.61 2.12 -0.61 -2.00 118.70 124.99 2qbb s GLU 123 Ca 0.00 0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.34 2qbb s GLU 123 Cb 0.00 -3.63 0.30 0.00 0.26 0.00 0.00 34.13 31.06 2qbb s GLU 123 CO 0.00 -0.25 0.80 -0.89 -0.54 0.00 0.00 175.26 174.38 2qbb n ILE 124 N 4.96 0.00 0.00 -3.70 5.41 -1.13 -0.03 119.36 124.87 2qbb n ILE 124 Ca -0.07 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2qbb n ILE 124 Cb 0.50 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2qbb n ILE 124 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qbb n ILE 125 N -5.20 0.00 -3.62 1.39 5.41 0.82 -4.28 119.36 113.88 2qbb n ILE 125 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 2qbb n ILE 125 Cb 0.56 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.48 2qbb n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbb n TYR 127 N -0.33 3.48 -2.53 0.00 4.01 -0.73 -2.55 117.16 118.51 2qbb n TYR 127 Ca -0.05 -4.23 -0.43 0.00 -0.16 0.00 0.00 57.90 53.03 2qbb n TYR 127 Cb 0.61 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 2qbb n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qbb s VAL 128 N -2.00 4.08 -2.69 -0.72 1.01 -0.82 -4.20 120.40 115.06 2qbb s VAL 128 Ca 0.33 1.06 0.26 0.00 0.00 0.00 0.00 61.98 63.64 2qbb s VAL 128 Cb 0.06 -4.54 0.41 0.00 0.00 0.00 0.00 36.38 32.31 2qbb s VAL 128 CO -0.09 -1.04 1.56 0.00 0.00 0.00 0.00 175.10 175.53