#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh n LYS 2 N 0.00 -3.10 -0.35 0.00 4.76 -1.26 -3.97 118.16 114.24 2qbh n LYS 2 Ca 0.00 2.54 -0.11 0.00 -2.87 0.00 0.00 58.31 57.87 2qbh n LYS 2 Cb 0.00 -5.12 -0.10 0.00 -1.84 0.00 0.00 35.03 27.97 2qbh n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2qbh h GLN 3 N 2.68 -0.09 -0.54 1.97 5.75 -1.98 0.61 115.11 123.51 2qbh h GLN 3 Ca 0.00 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2qbh h GLN 3 Cb 0.14 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 28.61 2qbh h GLN 3 CO 0.11 -0.06 -0.46 0.66 -2.65 0.00 0.00 178.83 176.43 2qbh h SER 4 N -0.09 -1.58 -0.80 -0.69 4.64 -2.01 0.89 113.55 113.91 2qbh h SER 4 Ca 0.14 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2qbh h SER 4 Cb 0.44 0.70 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 2qbh h SER 4 CO -0.84 -0.35 0.51 -0.03 -0.87 0.00 0.00 176.83 175.25 2qbh h MET 5 N -0.26 1.07 -0.44 4.77 4.05 -1.37 -2.57 114.93 120.17 2qbh h MET 5 Ca 0.15 -0.08 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 2qbh h MET 5 Cb 0.57 -0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 31.07 2qbh h MET 5 CO -0.67 0.72 0.02 0.87 0.23 0.00 0.00 176.91 178.09 2qbh h LYS 6 N 1.09 0.13 -0.55 0.39 1.57 0.26 -1.17 116.57 118.29 2qbh h LYS 6 Ca 0.29 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2qbh h LYS 6 Cb -0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2qbh h LYS 6 CO -0.06 0.09 0.34 0.00 -0.57 0.00 0.00 179.45 179.25 2qbh h ALA 7 N 1.37 0.70 -0.79 3.86 0.00 -0.96 -2.83 119.26 120.62 2qbh h ALA 7 Ca 0.22 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2qbh h ALA 7 Cb 0.31 -0.22 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 2qbh h ALA 7 CO -0.34 0.18 -0.31 0.54 0.00 0.00 0.00 179.25 179.32 2qbh n ARG 8 N -4.66 -0.19 0.13 0.00 1.74 -0.45 -0.78 116.66 112.45 2qbh n ARG 8 Ca 0.03 1.21 -0.11 0.00 -0.77 0.00 0.00 57.85 58.22 2qbh n ARG 8 Cb 0.05 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 2qbh n ARG 8 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2qbh h GLU 9 N 0.00 -0.53 -1.20 5.56 4.57 -1.37 -2.52 114.58 119.08 2qbh h GLU 9 Ca 0.27 0.04 0.35 0.00 -1.18 0.00 0.00 59.36 58.84 2qbh h GLU 9 Cb 0.47 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 2qbh h GLU 9 CO -0.78 -0.36 0.80 0.28 -1.18 0.00 0.00 179.01 177.78 2qbh h VAL 10 N -0.55 0.36 0.54 0.32 2.07 -0.99 -2.21 116.25 115.79 2qbh h VAL 10 Ca -0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2qbh h VAL 10 Cb 0.51 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qbh h VAL 10 CO -0.09 0.04 -0.26 0.11 0.02 0.00 0.00 177.57 177.38 2qbh h LYS 11 N 0.19 -0.69 -1.11 1.57 1.79 -0.78 -3.03 116.57 114.52 2qbh h LYS 11 Ca 0.67 0.05 0.33 0.00 -2.18 0.00 0.00 60.65 59.52 2qbh h LYS 11 Cb 2.10 0.16 -0.12 0.00 -1.58 0.00 0.00 32.23 32.78 2qbh h LYS 11 CO -0.24 -0.46 0.68 0.00 -1.08 0.00 0.00 179.45 178.35 2qbh h ARG 12 N -0.83 0.28 0.12 3.15 3.08 -1.22 -1.78 114.38 117.18 2qbh h ARG 12 Ca -0.07 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2qbh h ARG 12 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2qbh h ARG 12 CO 0.12 0.19 -0.15 0.28 -1.07 0.00 0.00 179.97 179.34 2qbh h VAL 13 N 0.29 0.00 -0.78 2.04 2.07 -1.40 -1.05 116.25 117.42 2qbh h VAL 13 Ca 0.71 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.41 2qbh h VAL 13 Cb 1.85 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.49 2qbh h VAL 13 CO -0.45 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.23 2qbh h ALA 14 N -1.44 0.92 -0.25 1.67 0.00 -1.22 -0.42 119.26 118.51 2qbh h ALA 14 Ca -0.02 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2qbh h ALA 14 Cb 0.25 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2qbh h ALA 14 CO -0.03 -0.42 -0.14 -0.07 0.00 0.00 0.00 179.25 178.59 2qbh h LEU 15 N 0.15 -0.46 -0.88 0.00 3.38 -1.19 -1.43 115.31 114.88 2qbh h LEU 15 Ca 0.44 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.69 2qbh h LEU 15 Cb 0.81 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 2qbh h LEU 15 CO -0.64 -0.18 0.46 0.00 0.09 0.00 0.00 178.44 178.17 2qbh h ALA 16 N 1.07 1.37 0.59 1.53 0.00 0.27 -2.22 119.26 121.87 2qbh h ALA 16 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qbh h ALA 16 Cb 0.32 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qbh h ALA 16 CO -0.32 -0.13 -0.29 -0.44 0.00 0.00 0.00 179.25 178.07 2qbh h ASP 17 N 0.60 -0.67 -1.05 0.00 3.32 -1.09 0.19 116.42 117.71 2qbh h ASP 17 Ca 0.50 0.02 0.30 0.00 0.02 0.00 0.00 57.03 57.88 2qbh h ASP 17 Cb 0.77 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2qbh h ASP 17 CO -0.40 -0.28 0.92 0.11 -1.72 0.00 0.00 179.24 177.87 2qbh h LYS 18 N -1.21 0.00 0.00 3.56 1.57 -1.04 -3.26 116.57 116.20 2qbh h LYS 18 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2qbh h LYS 18 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2qbh h LYS 18 CO 0.13 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.67 2qbh n TYR 19 N -3.78 0.00 -0.20 -1.35 4.02 -0.86 -4.81 117.16 110.18 2qbh n TYR 19 Ca 0.23 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.26 2qbh n TYR 19 Cb 1.26 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 40.84 2qbh n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qbh n PHE 20 N 0.00 0.54 0.14 -0.72 3.72 -1.01 0.20 117.46 120.33 2qbh n PHE 20 Ca 0.00 0.71 0.19 0.00 -0.05 0.00 0.00 57.45 58.30 2qbh n PHE 20 Cb 0.00 -1.04 0.76 0.00 -0.94 0.00 0.00 39.48 38.26 2qbh n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qbh h ALA 21 N 1.18 1.96 0.00 4.37 0.00 -0.67 0.23 119.26 126.33 2qbh h ALA 21 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qbh h ALA 21 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qbh h ALA 21 CO -0.51 -0.57 -0.04 1.63 0.00 0.00 0.00 179.25 179.76 2qbh n LYS 22 N -3.59 0.12 0.00 0.00 5.02 0.54 -4.83 118.16 115.42 2qbh n LYS 22 Ca 0.05 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 2qbh n LYS 22 Cb 0.55 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 2qbh n LYS 22 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbh n ARG 23 N -0.02 2.24 0.00 1.97 5.12 0.29 -4.69 116.66 121.56 2qbh n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbh n ARG 23 Cb 0.51 -0.87 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 2qbh n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qbh n ALA 24 N -1.36 2.16 0.05 7.54 0.00 0.75 -3.26 120.51 126.40 2qbh n ALA 24 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2qbh n ALA 24 Cb 0.18 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 2qbh n ALA 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qbh h GLU 25 N 0.43 0.26 -0.78 0.00 4.39 -1.84 -3.37 114.58 113.66 2qbh h GLU 25 Ca 0.00 -0.44 0.18 0.00 0.34 0.00 0.00 59.36 59.44 2qbh h GLU 25 Cb 0.55 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 29.25 2qbh h GLU 25 CO 0.00 1.11 0.18 1.37 -1.16 0.00 0.00 179.01 180.52 2qbh h LEU 26 N 0.07 -0.01 -0.10 1.33 -0.00 -1.94 -2.07 115.31 112.59 2qbh h LEU 26 Ca -0.28 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2qbh h LEU 26 Cb 2.03 0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 42.88 2qbh h LEU 26 CO 0.15 -0.08 -0.13 0.07 -0.00 0.00 0.00 178.44 178.45 2qbh h LYS 27 N 0.25 -0.17 0.00 0.17 5.09 -1.85 3.29 116.57 123.35 2qbh h LYS 27 Ca 0.45 0.01 -0.01 0.00 0.09 0.00 0.00 60.65 61.20 2qbh h LYS 27 Cb 0.82 0.04 -0.00 0.00 0.10 0.00 0.00 32.23 33.19 2qbh h LYS 27 CO -0.56 -0.11 -0.04 0.00 -2.09 0.00 0.00 179.45 176.64 2qbh h ALA 28 N 0.87 1.30 -3.00 0.07 0.00 -1.60 -2.73 119.26 114.17 2qbh h ALA 28 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qbh h ALA 28 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qbh h ALA 28 CO -0.20 0.05 0.00 -0.89 0.00 0.00 0.00 179.25 178.21 2qbh n ILE 29 N -3.58 0.00 0.00 0.00 5.41 -0.22 -4.60 119.36 116.37 2qbh n ILE 29 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2qbh n ILE 29 Cb 0.15 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 2qbh n ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qbh n ILE 30 N -0.66 0.00 -0.09 1.39 -0.00 1.08 -1.64 119.36 119.43 2qbh n ILE 30 Ca 0.00 1.22 0.00 0.00 -0.00 0.00 0.00 62.75 63.97 2qbh n ILE 30 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 37.73 2qbh n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2qbh n SER 31 N -1.62 1.43 -4.20 4.38 7.64 -0.68 -0.01 113.62 120.56 2qbh n SER 31 Ca 0.00 -1.31 -0.12 0.00 1.01 0.00 0.00 58.87 58.45 2qbh n SER 31 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 2qbh n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbh s ASP 32 N 1.89 0.38 -0.88 6.43 3.68 -0.65 -4.73 116.67 122.79 2qbh s ASP 32 Ca 0.00 -1.33 -0.25 0.00 2.13 0.00 0.00 52.55 53.10 2qbh s ASP 32 Cb 0.00 0.32 -0.07 0.00 -1.45 0.00 0.00 42.92 41.72 2qbh s ASP 32 CO 0.00 -0.78 2.07 -0.69 0.13 0.00 0.00 175.17 175.89 2qbh s VAL 33 N -4.05 3.33 0.03 1.11 1.01 -1.26 0.52 120.40 121.10 2qbh s VAL 33 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2qbh s VAL 33 Cb 0.07 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2qbh s VAL 33 CO 0.09 -0.70 0.00 0.59 0.00 0.00 0.00 175.10 175.08 2qbh n ASN 34 N 15.23 -0.05 0.00 3.32 4.13 -1.26 -4.93 115.26 131.70 2qbh n ASN 34 Ca 0.42 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.74 2qbh n ASN 34 Cb 0.46 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 2qbh n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbh n ALA 35 N -2.61 0.93 -0.43 5.41 0.00 -1.26 -5.20 120.51 117.35 2qbh n ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbh n ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbh n ALA 35 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbh n ARG 40 N -0.67 0.00 -3.76 0.00 1.85 0.19 -5.09 116.66 109.17 2qbh n ARG 40 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 2qbh n ARG 40 Cb 0.00 -0.21 -0.17 0.00 -1.05 0.00 0.00 32.46 31.03 2qbh n ARG 40 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 2qbh s TRP 41 N -1.37 0.11 0.12 2.89 -0.00 -1.25 -4.91 118.94 114.52 2qbh s TRP 41 Ca 0.00 0.14 -0.12 0.00 -0.00 0.00 0.00 56.10 56.12 2qbh s TRP 41 Cb 0.00 -0.37 -0.08 0.00 -0.00 0.00 0.00 33.47 33.02 2qbh s TRP 41 CO 0.00 -0.14 1.42 -0.97 -0.00 0.00 0.00 176.95 177.26 2qbh h ASN 42 N 7.74 0.93 -0.95 5.86 -0.73 -1.98 -2.40 115.58 124.05 2qbh h ASN 42 Ca -0.32 -0.50 0.24 0.00 1.87 0.00 0.00 56.30 57.58 2qbh h ASN 42 Cb 1.12 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 39.38 2qbh h ASN 42 CO 0.35 1.24 0.64 0.00 -0.37 0.00 0.00 177.43 179.29 2qbh h ALA 43 N 0.71 2.39 0.12 1.57 0.00 -2.00 0.28 119.26 122.33 2qbh h ALA 43 Ca 0.04 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 2qbh h ALA 43 Cb 1.03 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.85 2qbh h ALA 43 CO 0.10 -0.69 -1.23 0.28 0.00 0.00 0.00 179.25 177.71 2qbh h VAL 44 N 0.30 1.37 -0.00 0.00 2.07 -1.94 -2.61 116.25 115.44 2qbh h VAL 44 Ca 0.49 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.34 2qbh h VAL 44 Cb 1.41 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.95 2qbh h VAL 44 CO -0.16 0.80 0.09 0.25 0.02 0.00 0.00 177.57 178.57 2qbh h LEU 45 N 0.19 0.00 0.00 2.57 6.46 0.05 0.13 115.31 124.71 2qbh h LEU 45 Ca -0.16 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2qbh h LEU 45 Cb 1.91 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.84 2qbh h LEU 45 CO 0.22 0.00 -2.00 0.29 -0.62 0.00 0.00 178.44 176.34 2qbh n LYS 46 N -3.06 0.65 -0.27 1.25 4.76 -0.86 -4.43 118.16 116.21 2qbh n LYS 46 Ca -0.03 -0.17 -0.01 0.00 -2.87 0.00 0.00 58.31 55.23 2qbh n LYS 46 Cb 0.16 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.03 2qbh n LYS 46 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qbh h LEU 47 N 0.00 0.97 0.00 -0.35 5.85 -0.33 -2.41 115.31 119.04 2qbh h LEU 47 Ca -0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2qbh h LEU 47 Cb 1.09 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2qbh h LEU 47 CO 0.00 0.74 0.07 0.00 -0.34 0.00 0.00 178.44 178.91 2qbh n GLN 48 N -4.38 0.00 -2.71 1.25 -0.00 -1.16 -4.18 117.38 106.21 2qbh n GLN 48 Ca 0.09 0.12 -0.43 0.00 -0.00 0.00 0.00 57.00 56.79 2qbh n GLN 48 Cb 0.06 -1.57 -0.02 0.00 -0.00 0.00 0.00 30.24 28.72 2qbh n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qbh s THR 49 N -2.03 4.32 0.00 -0.39 2.01 -0.91 -3.87 115.64 114.78 2qbh s THR 49 Ca 0.00 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.50 2qbh s THR 49 Cb 0.00 -5.00 0.00 0.00 0.01 0.00 0.00 72.50 67.51 2qbh s THR 49 CO 0.00 -1.81 0.00 0.00 -0.69 0.00 0.00 174.62 172.12 2qbh n LEU 50 N 7.74 0.00 0.06 4.42 -0.00 -1.26 -5.03 117.00 122.93 2qbh n LEU 50 Ca 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.32 2qbh n LEU 50 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.88 2qbh n LEU 50 CO 0.64 0.00 0.11 1.55 -0.00 0.00 0.00 177.39 179.69 2qbh h PRO 51 N 0.00 -0.25 0.00 1.47 0.13 -1.90 -3.47 132.00 127.98 2qbh h PRO 51 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2qbh h PRO 51 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2qbh h PRO 51 CO 0.00 -0.16 0.00 -2.13 -0.23 0.00 0.00 178.00 175.48 2qbh n ARG 52 N -4.70 0.00 0.00 0.86 3.00 -1.26 -2.90 116.66 111.66 2qbh n ARG 52 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2qbh n ARG 52 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.56 2qbh n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qbh n ASP 53 N 6.47 0.00 0.09 6.15 9.92 -1.26 0.59 116.55 138.50 2qbh n ASP 53 Ca 0.00 0.31 0.12 0.00 -0.53 0.00 0.00 54.79 54.69 2qbh n ASP 53 Cb 0.00 -0.31 0.46 0.00 -0.64 0.00 0.00 41.12 40.63 2qbh n ASP 53 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2qbh n SER 54 N -1.29 0.58 -4.77 -2.24 2.88 -1.14 -4.48 113.62 103.15 2qbh n SER 54 Ca 0.00 0.58 -0.40 0.00 -1.33 0.00 0.00 58.87 57.73 2qbh n SER 54 Cb 0.14 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 62.88 2qbh n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qbh s SER 55 N -4.08 6.05 0.23 -3.46 0.01 0.20 -3.16 113.70 109.49 2qbh s SER 55 Ca 0.09 2.82 0.01 0.00 1.31 0.00 0.00 55.95 60.19 2qbh s SER 55 Cb 0.12 -2.65 0.23 0.00 0.21 0.00 0.00 66.02 63.94 2qbh s SER 55 CO 0.50 -1.04 1.57 1.55 0.41 0.00 0.00 173.24 176.22 2qbh h PRO 56 N 2.48 0.39 -0.46 12.44 0.13 -1.89 -3.11 132.00 141.98 2qbh h PRO 56 Ca -0.50 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2qbh h PRO 56 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2qbh h PRO 56 CO 0.62 0.82 0.00 0.43 -0.23 0.00 0.00 178.00 179.64 2qbh n SER 57 N -3.95 0.46 -0.71 1.44 7.64 -1.26 -2.81 113.62 114.43 2qbh n SER 57 Ca -0.02 -1.43 0.09 0.00 1.01 0.00 0.00 58.87 58.51 2qbh n SER 57 Cb 0.58 -0.23 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 2qbh n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbh n ARG 58 N -0.09 1.48 -3.25 1.43 1.74 -1.17 -4.96 116.66 111.84 2qbh n ARG 58 Ca 0.00 -1.58 -0.39 0.00 -0.77 0.00 0.00 57.85 55.11 2qbh n ARG 58 Cb 0.11 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 2qbh n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbh s GLN 59 N -1.39 4.23 -0.26 5.56 -0.21 -1.12 -4.99 119.66 121.47 2qbh s GLN 59 Ca 0.21 0.77 0.09 0.00 0.02 0.00 0.00 55.36 56.44 2qbh s GLN 59 Cb 0.15 -3.23 0.44 0.00 1.00 0.00 0.00 33.01 31.36 2qbh s GLN 59 CO 0.22 0.63 1.22 2.89 -2.12 0.00 0.00 175.29 178.13 2qbh n ARG 60 N 1.69 2.69 0.00 2.91 1.85 -1.26 -5.02 116.66 119.52 2qbh n ARG 60 Ca -0.10 -3.77 0.00 0.00 -1.00 0.00 0.00 57.85 52.99 2qbh n ARG 60 Cb 0.51 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 2qbh n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qbh n ASN 61 N -0.90 0.00 -0.81 2.89 4.13 -1.26 -4.80 115.26 114.51 2qbh n ASN 61 Ca 0.33 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.69 2qbh n ASN 61 Cb 0.85 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.04 2qbh n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qbh n ARG 62 N 0.00 -1.85 -2.12 3.52 1.74 -1.26 -4.79 116.66 111.90 2qbh n ARG 62 Ca 0.00 1.49 -0.41 0.00 -0.77 0.00 0.00 57.85 58.16 2qbh n ARG 62 Cb 0.00 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.24 2qbh n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbh h ARG 64 N 4.81 0.90 0.00 0.00 9.65 -1.67 -1.70 114.38 126.39 2qbh h ARG 64 Ca -0.46 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2qbh h ARG 64 Cb 1.22 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2qbh h ARG 64 CO 0.75 0.60 0.00 1.04 2.80 0.00 0.00 179.97 185.16 2qbh n GLN 65 N -4.65 0.00 -0.00 0.20 3.00 -1.26 -4.73 117.38 109.94 2qbh n GLN 65 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 2qbh n GLN 65 Cb 0.25 -0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.42 2qbh n GLN 65 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2qbh h THR 66 N 0.00 0.11 0.00 5.09 1.35 -1.98 -3.47 112.91 114.01 2qbh h THR 66 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2qbh h THR 66 Cb 0.00 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.53 2qbh h THR 66 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2qbh n GLY 67 N -1.44 1.82 3.63 5.82 0.00 -0.64 -4.48 105.19 109.91 2qbh n GLY 67 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2qbh n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbh s ARG 68 N -0.61 3.81 0.56 1.61 3.52 -1.26 -3.98 118.95 122.60 2qbh s ARG 68 Ca 0.00 1.97 0.35 0.00 -0.13 0.00 0.00 55.73 57.93 2qbh s ARG 68 Cb 0.00 -4.11 1.93 0.00 -1.56 0.00 0.00 34.95 31.21 2qbh s ARG 68 CO 0.00 -1.30 2.08 -1.00 -0.81 0.00 0.00 175.30 174.27 2qbh h PRO 69 N 11.23 0.00 0.00 5.12 0.13 -1.93 -2.91 132.00 143.65 2qbh h PRO 69 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2qbh h PRO 69 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qbh h PRO 69 CO 0.98 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.47 2qbh n HIS 70 N -2.79 0.00 -0.27 1.56 8.25 -1.26 -4.69 115.22 116.01 2qbh n HIS 70 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2qbh n HIS 70 Cb 0.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2qbh n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qbh n GLY 71 N 5.00 -0.08 3.13 -1.41 0.00 -1.26 -4.86 105.19 105.71 2qbh n GLY 71 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 2qbh n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qbh s PHE 72 N 1.57 0.38 -0.19 1.61 2.19 -1.26 -1.94 117.98 120.35 2qbh s PHE 72 Ca 0.25 -0.88 -0.05 0.00 0.33 0.00 0.00 56.93 56.58 2qbh s PHE 72 Cb -0.24 -0.26 0.07 0.00 -1.31 0.00 0.00 43.02 41.28 2qbh s PHE 72 CO 0.09 -0.44 0.14 -0.51 1.83 0.00 0.00 175.22 176.34 2qbh s LEU 73 N -2.87 0.18 0.19 6.12 1.43 -0.97 -4.80 118.68 117.95 2qbh s LEU 73 Ca 0.06 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2qbh s LEU 73 Cb 0.07 -0.01 0.19 0.00 0.03 0.00 0.00 46.19 46.47 2qbh s LEU 73 CO -0.10 -0.34 1.66 0.03 0.23 0.00 0.00 176.35 177.83 2qbh h ARG 74 N 8.38 0.05 -0.61 1.70 3.08 -1.95 1.13 114.38 126.16 2qbh h ARG 74 Ca -0.16 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.95 2qbh h ARG 74 Cb 1.15 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.10 2qbh h ARG 74 CO 0.29 0.04 -0.52 -0.22 -1.07 0.00 0.00 179.97 178.48 2qbh h LYS 75 N 0.06 -0.20 0.00 0.04 1.63 -1.97 -2.58 116.57 113.54 2qbh h LYS 75 Ca 0.26 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2qbh h LYS 75 Cb 0.40 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2qbh h LYS 75 CO -0.49 -0.13 -0.96 0.74 -3.45 0.00 0.00 179.45 175.16 2qbh h PHE 76 N -0.21 0.00 -0.62 1.91 -1.00 -1.94 -3.48 116.94 111.61 2qbh h PHE 76 Ca 0.10 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.71 2qbh h PHE 76 Cb 0.47 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 2qbh h PHE 76 CO -0.85 0.12 -0.17 0.41 -1.61 0.00 0.00 178.31 176.20 2qbh n GLY 77 N 1.21 0.76 3.42 -1.45 0.00 0.39 -4.98 105.19 104.52 2qbh n GLY 77 Ca -0.01 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 2qbh n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbh s LEU 78 N -2.05 2.54 0.65 0.99 1.02 -1.23 -1.82 118.68 118.78 2qbh s LEU 78 Ca 0.00 -1.12 -0.15 0.00 0.02 0.00 0.00 54.13 52.88 2qbh s LEU 78 Cb 0.00 -0.73 -0.00 0.00 0.02 0.00 0.00 46.19 45.48 2qbh s LEU 78 CO 0.00 -0.23 1.11 -0.94 0.02 0.00 0.00 176.35 176.30 2qbh s SER 79 N -3.42 5.16 0.33 2.29 1.04 -1.25 -2.30 113.70 115.54 2qbh s SER 79 Ca 0.28 1.99 0.11 0.00 0.48 0.00 0.00 55.95 58.80 2qbh s SER 79 Cb 0.01 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.57 2qbh s SER 79 CO 0.11 -1.60 1.63 0.08 0.98 0.00 0.00 173.24 174.44 2qbh h ARG 80 N 0.06 0.19 0.51 4.02 0.11 -1.70 -1.58 114.38 115.99 2qbh h ARG 80 Ca -0.47 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2qbh h ARG 80 Cb 1.24 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2qbh h ARG 80 CO 0.54 0.12 -0.24 0.82 0.10 0.00 0.00 179.97 181.31 2qbh h ILE 81 N 0.19 0.33 -0.74 0.08 2.04 -1.90 -3.13 117.51 114.38 2qbh h ILE 81 Ca 0.69 -0.44 0.14 0.00 1.00 0.00 0.00 64.86 66.24 2qbh h ILE 81 Cb 1.56 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 38.01 2qbh h ILE 81 CO -0.69 0.05 0.28 0.11 0.00 0.00 0.00 178.15 177.91 2qbh h LYS 82 N -1.01 0.41 -0.20 2.37 1.79 -1.70 -0.03 116.57 118.22 2qbh h LYS 82 Ca -0.07 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2qbh h LYS 82 Cb 0.61 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 2qbh h LYS 82 CO 0.11 0.27 -0.46 0.28 -1.08 0.00 0.00 179.45 178.58 2qbh h VAL 83 N 0.43 0.00 0.48 0.50 2.07 -1.36 0.43 116.25 118.80 2qbh h VAL 83 Ca 0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 2qbh h VAL 83 Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qbh h VAL 83 CO -0.40 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 176.72 2qbh h ARG 84 N -0.43 -0.80 -0.90 1.57 2.43 -1.31 0.49 114.38 115.43 2qbh h ARG 84 Ca 0.04 0.05 0.22 0.00 -0.81 0.00 0.00 59.98 59.48 2qbh h ARG 84 Cb 0.54 0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.11 2qbh h ARG 84 CO -0.41 -0.53 -0.03 1.49 -1.51 0.00 0.00 179.97 178.97 2qbh h GLU 85 N -0.83 0.04 0.00 0.20 4.81 -0.86 -0.96 114.58 116.99 2qbh h GLU 85 Ca -0.06 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2qbh h GLU 85 Cb 0.69 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.07 2qbh h GLU 85 CO 0.01 0.03 -0.25 0.00 -0.73 0.00 0.00 179.01 178.06 2qbh h ALA 86 N 1.88 0.02 0.00 2.92 0.00 -0.79 -3.26 119.26 120.03 2qbh h ALA 86 Ca 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qbh h ALA 86 Cb 0.94 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qbh h ALA 86 CO -0.85 0.09 0.46 0.00 0.00 0.00 0.00 179.25 178.96 2qbh h ALA 87 N 0.23 1.46 0.12 0.00 0.00 0.13 -2.20 119.26 119.00 2qbh h ALA 87 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qbh h ALA 87 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qbh h ALA 87 CO 0.05 -0.46 -0.06 0.52 0.00 0.00 0.00 179.25 179.30 2qbh h MET 88 N 0.00 -0.16 0.00 0.00 2.07 -1.35 -3.24 114.93 112.26 2qbh h MET 88 Ca 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2qbh h MET 88 Cb 0.93 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 2qbh h MET 88 CO 0.00 0.08 0.00 0.54 1.07 0.00 0.00 176.91 178.61 2qbh n ARG 89 N -4.87 0.00 -1.10 1.72 1.74 -0.88 -4.71 116.66 108.57 2qbh n ARG 89 Ca -0.04 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2qbh n ARG 89 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2qbh n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbh n GLY 90 N -1.18 0.80 0.18 -0.13 0.00 -1.16 -4.98 105.19 98.72 2qbh n GLY 90 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2qbh n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qbh h GLU 91 N 0.00 0.57 -5.93 1.61 4.39 -1.65 -3.42 114.58 110.15 2qbh h GLU 91 Ca 0.00 -0.25 -0.57 0.00 0.34 0.00 0.00 59.36 58.88 2qbh h GLU 91 Cb 0.43 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 2qbh h GLU 91 CO 0.00 0.82 -0.02 0.42 -1.16 0.00 0.00 179.01 179.07 2qbh s ILE 92 N -4.59 5.07 0.49 3.13 1.09 -1.26 -4.99 121.20 120.15 2qbh s ILE 92 Ca -0.13 1.21 -0.20 0.00 -1.10 0.00 0.00 60.65 60.42 2qbh s ILE 92 Cb 0.08 -3.93 -0.08 0.00 -1.06 0.00 0.00 42.46 37.47 2qbh s ILE 92 CO 0.79 0.32 1.06 -2.16 -0.10 0.00 0.00 174.94 174.85 2qbh s PRO 93 N 0.51 3.74 0.00 2.79 0.04 -1.26 -3.68 135.00 137.13 2qbh s PRO 93 Ca 0.32 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qbh s PRO 93 Cb -0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2qbh s PRO 93 CO 0.15 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2qbh n GLY 94 N -0.11 0.00 3.71 0.56 0.00 -1.26 -4.91 105.19 103.18 2qbh n GLY 94 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2qbh n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qbh s LEU 95 N 0.00 4.21 0.26 0.99 2.96 -1.24 -5.07 118.68 120.79 2qbh s LEU 95 Ca 0.00 0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 54.14 2qbh s LEU 95 Cb 0.00 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.38 2qbh s LEU 95 CO 0.00 0.08 0.68 -1.59 -1.32 0.00 0.00 176.35 174.20 2qbh s LYS 96 N 0.63 1.69 -0.22 1.98 -2.85 -1.26 -4.95 119.74 114.75 2qbh s LYS 96 Ca 0.15 -0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 53.88 2qbh s LYS 96 Cb -0.13 0.59 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 2qbh s LYS 96 CO 0.04 -0.76 2.17 1.63 0.10 0.00 0.00 175.35 178.52 2qbh n LYS 97 N -0.44 1.80 -2.57 1.78 4.76 -1.26 -4.94 118.16 117.29 2qbh n LYS 97 Ca -0.06 0.53 -0.34 0.00 -2.87 0.00 0.00 58.31 55.57 2qbh n LYS 97 Cb 0.60 -2.95 -0.04 0.00 -1.84 0.00 0.00 35.03 30.80 2qbh n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbh s ALA 98 N 7.39 2.89 -0.28 7.82 0.00 -1.26 -5.06 121.76 133.26 2qbh s ALA 98 Ca 1.02 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 2qbh s ALA 98 Cb -0.52 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.47 2qbh s ALA 98 CO 0.41 -0.26 0.80 -1.54 0.00 0.00 0.00 175.76 175.17 2qbh s SER 99 N -2.05 -0.77 0.00 0.00 1.04 -1.26 -5.34 113.70 105.31 2qbh s SER 99 Ca 0.66 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2qbh s SER 99 Cb -0.15 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.29 2qbh s SER 99 CO 0.20 -0.19 0.00 -2.67 0.98 0.00 0.00 173.24 171.55