#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n ARG 2 N 0.00 -1.32 -1.67 3.17 0.63 -1.26 -4.89 116.66 111.32 2qbi n ARG 2 Ca 0.00 0.63 -0.60 0.00 -0.92 0.00 0.00 57.85 56.97 2qbi n ARG 2 Cb 0.00 -4.76 -0.08 0.00 0.45 0.00 0.00 32.46 28.07 2qbi n ARG 2 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2qbi n HIS 3 N -2.38 1.90 -1.51 -0.14 8.25 -1.26 -0.64 115.22 119.45 2qbi n HIS 3 Ca -0.06 0.67 -0.12 0.00 -0.26 0.00 0.00 57.72 57.94 2qbi n HIS 3 Cb 0.42 -2.40 -0.04 0.00 1.12 0.00 0.00 29.99 29.08 2qbi n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qbi n ARG 4 N 5.45 -0.87 -3.18 -0.41 5.12 -1.26 -4.98 116.66 116.52 2qbi n ARG 4 Ca 0.30 0.87 -0.44 0.00 -1.93 0.00 0.00 57.85 56.65 2qbi n ARG 4 Cb 0.08 -4.92 -0.06 0.00 -1.16 0.00 0.00 32.46 26.41 2qbi n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2qbi s LYS 5 N -3.31 3.06 0.94 5.56 1.02 0.18 -5.05 119.74 122.13 2qbi s LYS 5 Ca 0.00 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 2qbi s LYS 5 Cb 0.00 -4.19 0.15 0.00 -0.52 0.00 0.00 37.83 33.27 2qbi s LYS 5 CO 0.00 -1.35 1.12 0.45 -0.92 0.00 0.00 175.35 174.65 2qbi s SER 6 N 3.17 3.24 0.00 2.83 0.15 -1.26 -4.94 113.70 116.90 2qbi s SER 6 Ca 0.11 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2qbi s SER 6 Cb -0.23 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2qbi s SER 6 CO 0.08 -2.73 0.00 0.61 1.20 0.00 0.00 173.24 172.40 2qbi n GLY 7 N -1.77 -1.04 3.88 9.45 0.00 -1.26 -5.05 105.19 109.40 2qbi n GLY 7 Ca 0.06 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2qbi n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbi s ARG 8 N -3.87 3.69 0.00 1.61 3.52 -1.26 -5.00 118.95 117.64 2qbi s ARG 8 Ca 0.00 0.08 0.15 0.00 -0.13 0.00 0.00 55.73 55.83 2qbi s ARG 8 Cb 0.00 -3.01 0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2qbi s ARG 8 CO 0.00 0.58 0.87 0.00 -0.81 0.00 0.00 175.30 175.94 2qbi n GLN 9 N 0.88 1.55 0.00 5.12 10.64 -1.26 -5.00 117.38 129.31 2qbi n GLN 9 Ca -0.08 -1.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.08 2qbi n GLN 9 Cb 0.52 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 2qbi n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2qbi n LEU 10 N 0.22 0.00 0.00 2.61 7.99 -1.26 -3.33 117.00 123.23 2qbi n LEU 10 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 2qbi n LEU 10 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2qbi n LEU 10 CO 0.15 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.62 2qbi n ASN 11 N 1.15 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 113.56 2qbi n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2qbi n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2qbi n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2qbi n ARG 12 N 0.00 -2.36 -1.13 3.52 3.00 -1.21 -5.08 116.66 113.40 2qbi n ARG 12 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2qbi n ARG 12 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.57 2qbi n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2qbi s ASN 13 N 0.00 4.07 0.00 6.15 2.20 -1.26 -4.86 114.94 121.24 2qbi s ASN 13 Ca 0.00 1.87 0.00 0.00 -0.94 0.00 0.00 52.86 53.79 2qbi s ASN 13 Cb 0.00 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2qbi s ASN 13 CO 0.00 -2.32 0.44 -0.24 -2.94 0.00 0.00 177.10 172.04 2qbi n SER 14 N -3.71 0.38 -0.06 3.54 2.88 -1.26 -1.16 113.62 114.23 2qbi n SER 14 Ca 0.09 -1.26 0.04 0.00 -1.33 0.00 0.00 58.87 56.41 2qbi n SER 14 Cb 0.53 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 2qbi n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2qbi n SER 15 N -0.09 0.59 0.00 -3.46 2.88 -1.26 -4.25 113.62 108.04 2qbi n SER 15 Ca 0.00 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 2qbi n SER 15 Cb 0.09 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2qbi n SER 15 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2qbi n HIS 16 N -0.91 0.00 -0.38 0.66 -0.00 -0.31 -4.45 115.22 109.83 2qbi n HIS 16 Ca 0.02 0.00 0.30 0.00 0.46 0.00 0.00 57.72 58.50 2qbi n HIS 16 Cb 0.14 -0.04 0.57 0.00 -0.12 0.00 0.00 29.99 30.55 2qbi n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2qbi h ARG 17 N 0.00 0.20 -2.05 1.57 3.08 -1.84 0.45 114.38 115.78 2qbi h ARG 17 Ca 0.00 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2qbi h ARG 17 Cb 0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2qbi h ARG 17 CO 0.00 0.13 -0.13 0.94 -1.07 0.00 0.00 179.97 179.84 2qbi n GLN 18 N -4.79 2.11 0.00 0.04 0.00 -1.26 -2.98 117.38 110.51 2qbi n GLN 18 Ca 0.33 -1.13 0.00 0.00 -0.00 0.00 0.00 57.00 56.20 2qbi n GLN 18 Cb 1.19 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 29.39 2qbi n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbi n ALA 19 N 2.48 0.00 0.32 1.69 0.00 0.12 -4.88 120.51 120.25 2qbi n ALA 19 Ca 0.45 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.09 2qbi n ALA 19 Cb 0.87 0.00 1.05 0.00 0.00 0.00 0.00 19.45 21.37 2qbi n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h MET 20 N 0.00 0.00 0.00 0.00 -0.00 -0.49 1.18 114.93 115.62 2qbi h MET 20 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.52 2qbi h MET 20 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 2qbi h MET 20 CO 0.00 0.00 -1.34 0.74 -0.00 0.00 0.00 176.91 176.31 2qbi h PHE 21 N 0.00 0.00 -0.05 -0.10 0.05 -1.75 -3.19 116.94 111.90 2qbi h PHE 21 Ca 0.01 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.74 2qbi h PHE 21 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.21 2qbi h PHE 21 CO 0.00 0.63 -0.18 -0.09 -0.18 0.00 0.00 178.31 178.49 2qbi h ARG 22 N 0.00 0.21 0.00 1.51 2.43 0.99 1.23 114.38 120.74 2qbi h ARG 22 Ca -0.16 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2qbi h ARG 22 Cb 1.62 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2qbi h ARG 22 CO 0.05 0.79 0.00 0.09 -1.51 0.00 0.00 179.97 179.40 2qbi n ASN 23 N -4.58 0.67 -0.12 -3.80 3.02 0.74 -1.80 115.26 109.40 2qbi n ASN 23 Ca -0.08 0.71 -0.26 0.00 -0.03 0.00 0.00 54.58 54.91 2qbi n ASN 23 Cb 0.42 -0.83 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 2qbi n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2qbi n MET 24 N -2.29 0.59 0.18 3.52 0.00 -1.08 -3.65 117.12 114.39 2qbi n MET 24 Ca 0.01 0.36 -0.17 0.00 -0.00 0.00 0.00 57.70 57.90 2qbi n MET 24 Cb 0.17 -1.58 -0.10 0.00 0.00 0.00 0.00 33.22 31.71 2qbi n MET 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbi h ALA 25 N -0.74 -1.06 -0.36 -5.12 0.00 0.17 0.51 119.26 112.66 2qbi h ALA 25 Ca -0.57 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.30 2qbi h ALA 25 Cb 1.55 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 2qbi h ALA 25 CO -0.32 -1.16 0.33 0.78 0.00 0.00 0.00 179.25 178.88 2qbi h GLY 26 N -0.85 0.00 0.80 0.00 0.00 -1.58 0.72 103.07 102.16 2qbi h GLY 26 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2qbi h GLY 26 CO -0.21 0.00 -0.33 0.23 0.00 0.00 0.00 176.54 176.23 2qbi h SER 27 N 0.00 0.52 -0.59 0.19 0.87 -0.77 -2.64 113.55 111.13 2qbi h SER 27 Ca 0.17 -0.58 0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2qbi h SER 27 Cb 0.82 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2qbi h SER 27 CO -0.00 1.00 0.39 0.25 -0.53 0.00 0.00 176.83 177.94 2qbi h LEU 28 N 0.05 0.59 -1.31 2.23 7.12 0.22 0.11 115.31 124.32 2qbi h LEU 28 Ca -0.00 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2qbi h LEU 28 Cb 0.94 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 2qbi h LEU 28 CO 0.07 0.41 -0.27 0.58 -0.13 0.00 0.00 178.44 179.10 2qbi h VAL 29 N 0.69 1.22 0.46 1.05 2.07 -1.17 0.72 116.25 121.30 2qbi h VAL 29 Ca 0.24 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2qbi h VAL 29 Cb 0.10 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2qbi h VAL 29 CO -0.06 0.31 -0.22 0.03 0.02 0.00 0.00 177.57 177.64 2qbi h ARG 30 N 0.10 -0.60 0.00 1.57 3.08 -0.42 -3.37 114.38 114.73 2qbi h ARG 30 Ca 0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2qbi h ARG 30 Cb 0.54 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2qbi h ARG 30 CO 0.04 -0.40 -1.14 0.72 -1.07 0.00 0.00 179.97 178.12 2qbi n HIS 31 N -5.10 0.19 -0.75 3.04 8.25 -0.90 -4.96 115.22 115.00 2qbi n HIS 31 Ca -0.08 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2qbi n HIS 31 Cb 0.25 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2qbi n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qbi n GLU 32 N -1.93 -0.31 -3.74 -0.41 1.02 0.25 -4.92 120.64 110.61 2qbi n GLU 32 Ca 0.02 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2qbi n GLU 32 Cb 0.44 -3.94 -0.11 0.00 -0.02 0.00 0.00 31.44 27.80 2qbi n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2qbi s ILE 33 N -1.86 -0.01 0.01 -3.67 -5.25 -1.26 -1.04 121.20 108.12 2qbi s ILE 33 Ca 0.00 0.05 -0.13 0.00 -0.99 0.00 0.00 60.65 59.58 2qbi s ILE 33 Cb 0.00 -0.49 0.02 0.00 2.95 0.00 0.00 42.46 44.94 2qbi s ILE 33 CO 0.00 0.02 0.28 -0.63 -1.79 0.00 0.00 174.94 172.81 2qbi s ILE 34 N 0.65 0.07 -0.74 8.37 1.01 0.58 -4.95 121.20 126.19 2qbi s ILE 34 Ca -0.04 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2qbi s ILE 34 Cb -0.05 -0.73 0.21 0.00 0.01 0.00 0.00 42.46 41.90 2qbi s ILE 34 CO -0.04 -0.34 0.68 2.29 0.00 0.00 0.00 174.94 177.54 2qbi n LYS 35 N 1.01 2.35 -2.11 2.79 -0.00 -1.26 -0.36 118.16 120.58 2qbi n LYS 35 Ca -0.20 -4.56 -0.09 0.00 -0.00 0.00 0.00 58.31 53.46 2qbi n LYS 35 Cb 0.57 -2.31 0.01 0.00 -0.00 0.00 0.00 35.03 33.30 2qbi n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2qbi n THR 36 N 1.61 0.00 -2.03 0.58 5.66 -1.26 -4.69 114.28 114.14 2qbi n THR 36 Ca 0.24 -0.78 -0.37 0.00 -3.05 0.00 0.00 64.05 60.08 2qbi n THR 36 Cb 0.37 -0.53 0.02 0.00 -1.55 0.00 0.00 70.33 68.64 2qbi n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qbi s THR 37 N -0.74 2.63 0.12 1.09 2.01 -1.26 -0.02 115.64 119.47 2qbi s THR 37 Ca 0.16 0.46 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 2qbi s THR 37 Cb -0.01 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2qbi s THR 37 CO 0.10 -0.02 1.65 0.25 -0.69 0.00 0.00 174.62 175.92 2qbi h LEU 38 N 1.67 -0.65 -0.05 4.42 5.85 -1.53 -0.53 115.31 124.49 2qbi h LEU 38 Ca -0.50 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2qbi h LEU 38 Cb 1.27 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 2qbi h LEU 38 CO 0.58 -0.28 0.03 -0.65 -0.34 0.00 0.00 178.44 177.78 2qbi h PRO 39 N -0.34 0.07 -0.88 5.25 0.11 -1.92 0.18 132.00 134.47 2qbi h PRO 39 Ca 0.07 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.39 2qbi h PRO 39 Cb 0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 2qbi h PRO 39 CO -0.22 0.05 0.60 0.87 -0.21 0.00 0.00 178.00 179.09 2qbi h LYS 40 N 0.07 0.24 0.01 1.05 1.57 -1.87 0.87 116.57 118.51 2qbi h LYS 40 Ca 0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qbi h LYS 40 Cb -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2qbi h LYS 40 CO -0.00 0.16 -0.00 0.00 -0.57 0.00 0.00 179.45 179.03 2qbi h ALA 41 N 1.60 -0.01 0.00 3.86 0.00 -0.30 0.43 119.26 124.84 2qbi h ALA 41 Ca 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qbi h ALA 41 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2qbi h ALA 41 CO -0.11 -0.03 0.06 1.63 0.00 0.00 0.00 179.25 180.80 2qbi n LYS 42 N -4.67 0.00 -0.11 0.00 5.02 0.56 0.09 118.16 119.05 2qbi n LYS 42 Ca -0.08 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.43 2qbi n LYS 42 Cb 0.38 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2qbi n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qbi n GLU 43 N -1.43 0.49 -0.31 1.97 -0.58 0.21 -4.37 120.64 116.62 2qbi n GLU 43 Ca 0.00 0.21 0.29 0.00 -0.42 0.00 0.00 57.16 57.24 2qbi n GLU 43 Cb 0.06 -1.34 0.63 0.00 -0.57 0.00 0.00 31.44 30.23 2qbi n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qbi h LEU 44 N -0.86 0.21 -0.05 -4.62 5.85 0.14 -1.83 115.31 114.15 2qbi h LEU 44 Ca -0.45 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2qbi h LEU 44 Cb 1.36 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 2qbi h LEU 44 CO -0.27 0.04 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.68 2qbi h ARG 45 N 0.18 -0.08 -2.93 1.25 2.43 -0.55 -2.19 114.38 112.50 2qbi h ARG 45 Ca 0.57 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 59.41 2qbi h ARG 45 Cb 1.86 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 2qbi h ARG 45 CO -0.15 -0.05 1.77 2.89 -1.51 0.00 0.00 179.97 182.92 2qbi n ARG 46 N -3.10 2.08 0.05 0.20 1.85 -0.69 -2.68 116.66 114.37 2qbi n ARG 46 Ca -0.01 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.56 2qbi n ARG 46 Cb 0.06 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 2qbi n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qbi n VAL 47 N 3.50 0.00 0.03 8.89 0.31 -0.83 -4.91 118.33 125.31 2qbi n VAL 47 Ca 0.44 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.55 2qbi n VAL 47 Cb 0.34 -0.35 -0.14 0.00 -0.91 0.00 0.00 33.84 32.77 2qbi n VAL 47 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qbi h VAL 48 N 0.00 0.86 -0.70 2.52 -1.51 -1.43 -3.26 116.25 112.73 2qbi h VAL 48 Ca 0.00 -2.42 0.14 0.00 -1.23 0.00 0.00 66.70 63.19 2qbi h VAL 48 Cb 0.00 2.65 -0.13 0.00 -2.13 0.00 0.00 31.29 31.68 2qbi h VAL 48 CO 0.00 0.81 -0.19 -0.33 -1.23 0.00 0.00 177.57 176.63 2qbi h GLU 49 N -0.05 -0.01 -0.59 5.19 5.08 -1.77 0.83 114.58 123.25 2qbi h GLU 49 Ca -0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2qbi h GLU 49 Cb 1.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 2qbi h GLU 49 CO 0.11 -0.01 0.34 -1.35 -1.00 0.00 0.00 179.01 177.10 2qbi h PRO 50 N -0.01 0.81 0.10 2.33 0.11 -1.82 0.38 132.00 133.90 2qbi h PRO 50 Ca 0.33 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.38 2qbi h PRO 50 Cb 0.52 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.43 2qbi h PRO 50 CO -0.73 0.61 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.31 2qbi h LEU 51 N 0.80 -0.82 -1.05 2.35 4.07 -0.11 0.81 115.31 121.35 2qbi h LEU 51 Ca 0.21 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.28 2qbi h LEU 51 Cb 0.02 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 2qbi h LEU 51 CO -0.04 -0.37 0.64 0.40 -1.08 0.00 0.00 178.44 177.99 2qbi h ILE 52 N -0.49 1.24 -0.47 1.22 2.04 0.63 1.15 117.51 122.83 2qbi h ILE 52 Ca 0.04 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.47 2qbi h ILE 52 Cb 0.53 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2qbi h ILE 52 CO -0.18 0.24 0.31 0.74 0.00 0.00 0.00 178.15 179.26 2qbi h THR 53 N 1.30 1.07 0.00 -0.27 2.02 0.10 0.32 112.91 117.45 2qbi h THR 53 Ca 0.36 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.26 2qbi h THR 53 Cb -0.14 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2qbi h THR 53 CO -0.08 0.10 -0.46 0.25 0.37 0.00 0.00 175.52 175.70 2qbi h LEU 54 N 0.55 0.00 -1.92 2.58 5.85 0.41 -3.19 115.31 119.59 2qbi h LEU 54 Ca 0.18 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2qbi h LEU 54 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2qbi h LEU 54 CO -0.04 0.40 -0.11 0.00 -0.34 0.00 0.00 178.44 178.34 2qbi h ALA 55 N 1.60 1.25 -0.44 1.25 0.00 0.51 -3.07 119.26 120.35 2qbi h ALA 55 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2qbi h ALA 55 Cb 1.31 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 2qbi h ALA 55 CO 0.05 0.14 -0.23 0.87 0.00 0.00 0.00 179.25 180.08 2qbi h LYS 56 N 0.00 -0.14 -5.43 0.00 1.79 -1.42 -3.32 116.57 108.05 2qbi h LYS 56 Ca -0.00 0.01 -0.60 0.00 -2.18 0.00 0.00 60.65 57.88 2qbi h LYS 56 Cb 0.34 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.91 2qbi h LYS 56 CO 0.01 -0.09 -0.17 0.99 -1.08 0.00 0.00 179.45 179.12 2qbi s THR 57 N -6.11 5.18 0.00 -0.16 2.01 -1.16 -4.87 115.64 110.52 2qbi s THR 57 Ca -0.14 0.75 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2qbi s THR 57 Cb 0.15 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2qbi s THR 57 CO 0.70 0.23 0.00 -0.67 -0.69 0.00 0.00 174.62 174.19 2qbi n ASP 58 N 4.59 0.00 -0.13 3.53 4.64 -1.26 -4.77 116.55 123.15 2qbi n ASP 58 Ca -0.08 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.33 2qbi n ASP 58 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2qbi n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2qbi n SER 59 N 0.00 -2.50 -2.20 1.67 2.88 -1.26 -3.90 113.62 108.32 2qbi n SER 59 Ca 0.00 0.09 -0.03 0.00 -1.33 0.00 0.00 58.87 57.60 2qbi n SER 59 Cb 0.00 0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2qbi n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qbi n VAL 60 N -0.43 0.97 0.11 2.46 0.31 -1.26 -2.16 118.33 118.33 2qbi n VAL 60 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2qbi n VAL 60 Cb 0.00 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 2qbi n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbi n ALA 61 N 2.57 1.79 0.11 3.52 0.00 -1.26 -4.67 120.51 122.56 2qbi n ALA 61 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2qbi n ALA 61 Cb 0.29 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.95 2qbi n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbi n ASN 62 N -3.08 0.18 -0.08 0.00 5.03 -1.04 0.69 115.26 116.96 2qbi n ASN 62 Ca 0.00 0.58 -0.16 0.00 0.87 0.00 0.00 54.58 55.87 2qbi n ASN 62 Cb 0.00 -0.61 -0.12 0.00 -1.02 0.00 0.00 39.78 38.03 2qbi n ASN 62 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2qbi h ARG 63 N 0.00 0.00 0.01 3.52 9.65 -1.61 -2.29 114.38 123.66 2qbi h ARG 63 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2qbi h ARG 63 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2qbi h ARG 63 CO 0.00 0.97 -0.01 0.00 2.80 0.00 0.00 179.97 183.73 2qbi h ARG 64 N -1.00 -0.02 -0.31 0.20 3.08 -0.91 0.17 114.38 115.60 2qbi h ARG 64 Ca -0.11 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2qbi h ARG 64 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2qbi h ARG 64 CO -0.07 0.24 0.21 1.25 -1.07 0.00 0.00 179.97 180.53 2qbi h LEU 65 N -0.27 0.17 -0.41 3.04 5.85 0.10 0.64 115.31 124.42 2qbi h LEU 65 Ca -0.00 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2qbi h LEU 65 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2qbi h LEU 65 CO 0.00 0.11 -0.15 0.00 -0.34 0.00 0.00 178.44 178.06 2qbi h ALA 66 N 1.84 0.58 0.00 1.25 0.00 -0.77 -2.38 119.26 119.78 2qbi h ALA 66 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2qbi h ALA 66 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qbi h ALA 66 CO -0.02 0.50 -0.42 0.35 0.00 0.00 0.00 179.25 179.65 2qbi h PHE 67 N 0.65 0.00 0.00 0.00 3.57 0.24 -3.25 116.94 118.15 2qbi h PHE 67 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2qbi h PHE 67 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2qbi h PHE 67 CO 0.05 0.42 0.00 0.00 -2.23 0.00 0.00 178.31 176.55 2qbi n ALA 68 N -2.46 -0.00 -1.52 2.41 0.00 0.19 -4.00 120.51 115.13 2qbi n ALA 68 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 2qbi n ALA 68 Cb 0.45 0.28 0.05 0.00 0.00 0.00 0.00 19.45 20.23 2qbi n ALA 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qbi s ARG 69 N -1.30 2.87 -0.23 0.00 3.03 -1.23 -4.36 118.95 117.74 2qbi s ARG 69 Ca 0.00 1.10 -0.00 0.00 2.03 0.00 0.00 55.73 58.85 2qbi s ARG 69 Cb 0.00 -1.98 0.00 0.00 -1.03 0.00 0.00 34.95 31.94 2qbi s ARG 69 CO 0.00 -1.16 0.00 0.25 -1.13 0.00 0.00 175.30 173.26 2qbi n THR 70 N -2.89 -9.38 -0.42 4.99 -2.24 -1.26 -4.74 114.28 98.34 2qbi n THR 70 Ca 0.08 1.50 0.00 0.00 -2.27 0.00 0.00 64.05 63.37 2qbi n THR 70 Cb 0.53 -5.88 0.00 0.00 -2.10 0.00 0.00 70.33 62.88 2qbi n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qbi n ARG 71 N 0.88 0.86 -3.88 -0.78 3.00 -1.26 -4.58 116.66 110.89 2qbi n ARG 71 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 2qbi n ARG 71 Cb 0.14 -1.07 -0.13 0.00 0.00 0.00 0.00 32.46 31.40 2qbi n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qbi s ASP 72 N 1.99 4.65 0.00 6.15 3.68 -1.26 -4.90 116.67 126.98 2qbi s ASP 72 Ca 0.00 -2.88 0.00 0.00 2.13 0.00 0.00 52.55 51.80 2qbi s ASP 72 Cb 0.00 -1.71 0.00 0.00 -1.45 0.00 0.00 42.92 39.76 2qbi s ASP 72 CO 0.00 -0.29 0.57 -3.20 0.13 0.00 0.00 175.17 172.38 2qbi n ASN 73 N 3.34 0.00 -0.00 -0.34 5.15 -1.26 -0.86 115.26 121.29 2qbi n ASN 73 Ca 0.06 0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.90 2qbi n ASN 73 Cb 0.35 -0.08 -0.14 0.00 -0.53 0.00 0.00 39.78 39.38 2qbi n ASN 73 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2qbi h GLU 74 N 0.00 0.22 0.00 1.20 4.81 -1.96 -3.33 114.58 115.52 2qbi h GLU 74 Ca 0.00 -0.38 -0.17 0.00 -0.13 0.00 0.00 59.36 58.68 2qbi h GLU 74 Cb 0.00 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2qbi h GLU 74 CO 0.00 1.18 -0.82 -0.84 -0.73 0.00 0.00 179.01 177.80 2qbi h ILE 75 N -0.34 1.58 0.00 2.32 -0.00 -1.36 -2.70 117.51 117.01 2qbi h ILE 75 Ca -0.31 -2.78 -0.00 0.00 -0.00 0.00 0.00 64.86 61.77 2qbi h ILE 75 Cb 1.74 2.50 -0.00 0.00 -0.00 0.00 0.00 36.82 41.06 2qbi h ILE 75 CO 0.04 0.79 -0.01 -0.37 -0.00 0.00 0.00 178.15 178.60 2qbi h VAL 76 N 0.01 0.31 -0.00 0.16 -1.51 -1.61 0.39 116.25 114.00 2qbi h VAL 76 Ca -0.01 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2qbi h VAL 76 Cb 1.45 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2qbi h VAL 76 CO 0.11 0.01 -0.03 0.00 -1.23 0.00 0.00 177.57 176.43 2qbi h ALA 77 N 1.99 0.01 -0.70 5.19 0.00 -1.59 -3.12 119.26 121.04 2qbi h ALA 77 Ca -0.00 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.64 2qbi h ALA 77 Cb 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2qbi h ALA 77 CO 0.00 -0.11 0.30 -0.22 0.00 0.00 0.00 179.25 179.22 2qbi h LYS 78 N -0.70 0.47 -7.27 0.00 1.63 -0.85 -3.07 116.57 106.79 2qbi h LYS 78 Ca -0.00 -0.03 -0.51 0.00 -0.85 0.00 0.00 60.65 59.26 2qbi h LYS 78 Cb 0.76 -0.11 0.11 0.00 -0.60 0.00 0.00 32.23 32.40 2qbi h LYS 78 CO 0.01 0.31 0.35 -0.51 -3.45 0.00 0.00 179.45 176.16 2qbi s LEU 79 N -10.39 3.21 0.00 5.20 1.43 0.11 0.09 118.68 118.33 2qbi s LEU 79 Ca -0.13 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2qbi s LEU 79 Cb 0.19 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2qbi s LEU 79 CO 0.76 -1.73 0.00 0.49 0.23 0.00 0.00 176.35 176.09 2qbi n PHE 80 N -2.97 0.00 0.00 0.29 3.72 -1.25 -4.38 117.46 112.87 2qbi n PHE 80 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2qbi n PHE 80 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2qbi n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qbi n ASN 81 N 1.96 0.00 0.00 4.37 4.13 -1.16 -3.63 115.26 120.93 2qbi n ASN 81 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qbi n ASN 81 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2qbi n ASN 81 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qbi n GLU 82 N -0.40 0.00 0.00 3.52 4.71 0.11 -3.39 120.64 125.20 2qbi n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2qbi n GLU 82 Cb 0.00 -0.08 0.01 0.00 -1.01 0.00 0.00 31.44 30.36 2qbi n GLU 82 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2qbi n LEU 83 N 0.00 0.00 0.00 -4.62 -0.00 -0.31 -3.31 117.00 108.76 2qbi n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qbi n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2qbi n LEU 83 CO 0.00 0.00 0.13 0.61 -0.00 0.00 0.00 177.39 178.13 2qbi n GLY 84 N -0.30 -1.17 0.12 1.47 0.00 -1.22 -3.76 105.19 100.33 2qbi n GLY 84 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2qbi n GLY 84 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbi n PRO 85 N -0.41 0.16 -0.03 1.61 -0.02 -1.24 -2.74 135.00 132.33 2qbi n PRO 85 Ca 0.00 0.45 0.24 0.00 -2.02 0.00 0.00 63.50 62.17 2qbi n PRO 85 Cb 0.00 -1.84 0.67 0.00 -0.02 0.00 0.00 33.50 32.31 2qbi n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbi h ARG 86 N 0.00 0.00 0.00 -0.52 2.47 -1.64 0.45 114.38 115.14 2qbi h ARG 86 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2qbi h ARG 86 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2qbi h ARG 86 CO 0.00 0.00 -0.22 1.19 0.56 0.00 0.00 179.97 181.50 2qbi n PHE 87 N -3.63 0.00 0.36 3.04 3.72 -1.11 -4.83 117.46 115.02 2qbi n PHE 87 Ca 0.13 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 2qbi n PHE 87 Cb 0.92 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 2qbi n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qbi n ALA 88 N -0.85 1.83 0.00 4.37 0.00 0.16 -1.59 120.51 124.42 2qbi n ALA 88 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qbi n ALA 88 Cb 0.67 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2qbi n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbi n SER 89 N 0.76 0.00 -4.72 0.00 3.41 -1.26 -5.07 113.62 106.74 2qbi n SER 89 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2qbi n SER 89 Cb 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 2qbi n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qbi s ARG 90 N -0.04 2.36 0.00 4.33 6.06 -0.62 -4.90 118.95 126.13 2qbi s ARG 90 Ca 0.00 1.97 0.28 0.00 -2.50 0.00 0.00 55.73 55.49 2qbi s ARG 90 Cb 0.00 -1.83 1.15 0.00 0.06 0.00 0.00 34.95 34.33 2qbi s ARG 90 CO 0.00 -1.72 1.84 0.00 -2.50 0.00 0.00 175.30 172.92 2qbi n ALA 91 N -2.23 2.66 0.00 6.12 0.00 -1.26 -4.88 120.51 120.92 2qbi n ALA 91 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2qbi n ALA 91 Cb 0.49 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qbi n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 92 N 1.42 1.33 1.91 0.00 0.00 -1.26 -5.01 105.19 103.59 2qbi n GLY 92 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2qbi n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 93 N 0.00 1.91 0.00 -0.02 0.00 -1.26 -4.44 105.19 101.38 2qbi n GLY 93 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2qbi n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qbi n TYR 94 N 2.12 0.00 -4.12 1.61 4.01 -1.26 -4.57 117.16 114.94 2qbi n TYR 94 Ca 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.76 2qbi n TYR 94 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 2qbi n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qbi s THR 95 N -2.00 0.39 0.13 -0.72 -1.32 -1.26 -2.79 115.64 108.06 2qbi s THR 95 Ca 0.01 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 2qbi s THR 95 Cb 0.00 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.34 2qbi s THR 95 CO 0.01 -0.93 0.01 -0.60 -2.21 0.00 0.00 174.62 170.90 2qbi s ARG 96 N -3.89 0.92 -0.06 7.08 6.06 -0.56 -4.70 118.95 123.80 2qbi s ARG 96 Ca 0.10 -1.42 0.02 0.00 -2.50 0.00 0.00 55.73 51.93 2qbi s ARG 96 Cb 0.07 0.01 -0.05 0.00 0.06 0.00 0.00 34.95 35.03 2qbi s ARG 96 CO -0.07 -0.16 -0.03 0.44 -2.50 0.00 0.00 175.30 172.98 2qbi n ILE 97 N -0.10 0.37 -3.69 4.11 -6.64 -1.26 -2.32 119.36 109.83 2qbi n ILE 97 Ca -0.08 -0.18 -0.25 0.00 -1.77 0.00 0.00 62.75 60.47 2qbi n ILE 97 Cb 0.63 -0.79 0.01 0.00 -1.44 0.00 0.00 39.64 38.04 2qbi n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2qbi n LEU 98 N -2.48 -2.41 -4.53 7.28 7.99 -1.25 0.82 117.00 122.43 2qbi n LEU 98 Ca -0.10 -0.76 -0.29 0.00 -0.01 0.00 0.00 56.01 54.85 2qbi n LEU 98 Cb 0.64 -1.77 0.24 0.00 -0.11 0.00 0.00 43.42 42.42 2qbi n LEU 98 CO 0.09 0.18 0.55 -0.54 -1.51 0.00 0.00 177.39 176.15 2qbi s LYS 99 N -4.40 -0.63 0.00 3.23 1.02 -1.26 -1.79 119.74 115.92 2qbi s LYS 99 Ca 0.06 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2qbi s LYS 99 Cb -0.01 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 2qbi s LYS 99 CO 0.88 -3.53 0.00 0.00 -0.92 0.00 0.00 175.35 171.78 2qbi n GLY 101 N -0.63 -0.43 1.86 0.00 0.00 -0.33 -4.80 105.19 100.86 2qbi n GLY 101 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2qbi n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbi n PHE 102 N -1.45 -1.30 -2.55 1.61 3.01 -1.04 -4.42 117.46 111.32 2qbi n PHE 102 Ca 0.00 0.64 -0.05 0.00 1.01 0.00 0.00 57.45 59.05 2qbi n PHE 102 Cb 0.54 -2.28 0.03 0.00 -0.01 0.00 0.00 39.48 37.76 2qbi n PHE 102 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2qbi n ARG 103 N 0.32 0.59 0.00 -1.08 0.63 -0.54 -4.84 116.66 111.74 2qbi n ARG 103 Ca -0.04 -0.71 0.00 0.00 -0.92 0.00 0.00 57.85 56.18 2qbi n ARG 103 Cb 0.07 -0.13 0.00 0.00 0.45 0.00 0.00 32.46 32.85 2qbi n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbi n ALA 104 N -2.93 0.00 -0.09 5.13 0.00 -1.26 -4.60 120.51 116.76 2qbi n ALA 104 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 2qbi n ALA 104 Cb 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 2qbi n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbi h GLY 105 N 0.00 -1.06 -5.28 0.00 0.00 -2.00 -3.40 103.07 91.33 2qbi h GLY 105 Ca 0.00 0.71 -0.65 0.00 0.00 0.00 0.00 47.33 47.39 2qbi h GLY 105 CO 0.00 -0.16 -0.47 0.51 0.00 0.00 0.00 176.54 176.42 2qbi s ASP 106 N -4.92 6.39 0.00 0.19 1.47 -1.26 -4.95 116.67 113.59 2qbi s ASP 106 Ca -0.14 0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.99 2qbi s ASP 106 Cb 0.08 -2.03 0.00 0.00 -0.34 0.00 0.00 42.92 40.63 2qbi s ASP 106 CO 0.60 0.30 0.51 -3.20 0.68 0.00 0.00 175.17 174.05 2qbi n ASN 107 N 1.23 0.47 -4.74 2.11 4.05 -1.26 -3.40 115.26 113.73 2qbi n ASN 107 Ca -0.13 -1.49 -0.42 0.00 0.45 0.00 0.00 54.58 52.99 2qbi n ASN 107 Cb 0.53 -0.24 -0.02 0.00 1.23 0.00 0.00 39.78 41.28 2qbi n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qbi s ALA 108 N -1.36 3.82 -0.29 5.20 0.00 -1.26 -4.47 121.76 123.39 2qbi s ALA 108 Ca 0.00 1.56 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 2qbi s ALA 108 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.47 2qbi s ALA 108 CO 0.00 -0.94 1.02 -1.25 0.00 0.00 0.00 175.76 174.59 2qbi s PRO 109 N 0.27 4.11 0.00 0.00 0.04 -1.26 -1.46 135.00 136.70 2qbi s PRO 109 Ca 0.68 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2qbi s PRO 109 Cb -0.48 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2qbi s PRO 109 CO 0.40 -0.78 0.00 -1.33 0.04 0.00 0.00 177.00 175.33 2qbi n MET 110 N 6.59 1.22 0.00 4.56 2.81 -1.26 -1.83 117.12 129.21 2qbi n MET 110 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2qbi n MET 110 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 2qbi n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbi n ALA 111 N -3.00 0.00 -2.75 3.04 0.00 0.98 -1.19 120.51 117.59 2qbi n ALA 111 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2qbi n ALA 111 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2qbi n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qbi n TYR 112 N 0.00 -3.45 -1.80 0.00 4.01 0.24 -4.09 117.16 112.07 2qbi n TYR 112 Ca 0.00 -1.46 -0.40 0.00 -0.16 0.00 0.00 57.90 55.88 2qbi n TYR 112 Cb 0.00 1.49 0.01 0.00 -0.31 0.00 0.00 39.34 40.53 2qbi n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2qbi s ILE 113 N 0.79 2.06 0.04 -0.72 1.10 0.51 -3.85 121.20 121.14 2qbi s ILE 113 Ca 0.30 0.06 -0.27 0.00 -0.51 0.00 0.00 60.65 60.23 2qbi s ILE 113 Cb 0.10 -3.03 0.07 0.00 0.15 0.00 0.00 42.46 39.74 2qbi s ILE 113 CO -0.13 0.01 0.64 -0.70 -2.11 0.00 0.00 174.94 172.66 2qbi s GLU 114 N -2.33 1.16 -0.14 3.50 2.12 -0.98 -0.31 118.70 121.72 2qbi s GLU 114 Ca 0.58 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2qbi s GLU 114 Cb -0.45 0.54 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 2qbi s GLU 114 CO 0.59 -0.43 1.20 -0.51 -0.54 0.00 0.00 175.26 175.56 2qbi s LEU 115 N -1.89 4.20 0.57 2.70 1.43 -0.21 -1.49 118.68 123.99 2qbi s LEU 115 Ca -0.06 1.67 0.42 0.00 -1.03 0.00 0.00 54.13 55.13 2qbi s LEU 115 Cb -0.00 -3.54 1.48 0.00 0.03 0.00 0.00 46.19 44.15 2qbi s LEU 115 CO -0.00 -0.68 1.51 1.62 0.23 0.00 0.00 176.35 179.02 2qbi h VAL 116 N 5.33 0.03 -1.56 -1.59 3.04 -1.76 0.73 116.25 120.47 2qbi h VAL 116 Ca -0.28 0.00 -0.62 0.00 -1.01 0.00 0.00 66.70 64.79 2qbi h VAL 116 Cb 1.11 0.03 -0.39 0.00 -2.01 0.00 0.00 31.29 30.04 2qbi h VAL 116 CO 0.94 0.00 -0.40 -0.90 -1.01 0.00 0.00 177.57 176.20 2qbi n ASP 117 N -3.73 5.25 0.08 3.17 3.85 -1.26 -4.71 116.55 119.20 2qbi n ASP 117 Ca 0.37 -3.74 0.07 0.00 -0.71 0.00 0.00 54.79 50.77 2qbi n ASP 117 Cb 1.82 -0.57 -0.02 0.00 -1.35 0.00 0.00 41.12 41.00 2qbi n ASP 117 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2qbi h ARG 118 N 2.63 0.00 -4.82 0.11 1.12 0.13 -3.41 114.38 110.14 2qbi h ARG 118 Ca 0.35 0.00 -0.54 0.00 -1.11 0.00 0.00 59.98 58.69 2qbi h ARG 118 Cb 0.79 0.00 0.04 0.00 -0.01 0.00 0.00 29.97 30.79 2qbi h ARG 118 CO 0.96 0.13 1.76 0.43 -3.11 0.00 0.00 179.97 180.14 2qbi n SER 119 N -2.80 2.38 0.00 -3.80 7.64 -1.26 -5.05 113.62 110.72 2qbi n SER 119 Ca -0.03 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2qbi n SER 119 Cb 0.67 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2qbi n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41