#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n ILE 3 N 0.00 -0.01 0.00 -1.44 5.41 -1.26 -4.73 119.36 117.33 2qal n ILE 3 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.40 2qal n ILE 3 Cb 0.00 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 2qal n ILE 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2qal n LYS 4 N 7.17 0.00 -0.36 0.38 4.76 -1.26 -5.03 118.16 123.83 2qal n LYS 4 Ca 0.62 0.00 0.34 0.00 -2.87 0.00 0.00 58.31 56.41 2qal n LYS 4 Cb 0.17 0.00 0.71 0.00 -1.84 0.00 0.00 35.03 34.07 2qal n LYS 4 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qal h SER 5 N 0.00 0.10 0.00 4.39 4.64 -2.07 0.47 113.55 121.07 2qal h SER 5 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2qal h SER 5 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qal h SER 5 CO 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 176.83 175.99 2qal n ALA 6 N -2.71 1.12 -0.32 5.18 0.00 -1.26 -2.42 120.51 120.09 2qal n ALA 6 Ca 0.28 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.95 2qal n ALA 6 Cb 1.25 -0.91 0.52 0.00 0.00 0.00 0.00 19.45 20.31 2qal n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qal h LYS 7 N 0.00 0.35 -1.10 0.00 3.64 -0.37 0.13 116.57 119.22 2qal h LYS 7 Ca 0.00 -0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.66 2qal h LYS 7 Cb 0.05 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 2qal h LYS 7 CO 0.00 0.23 0.71 -0.22 -2.27 0.00 0.00 179.45 177.90 2qal h LYS 8 N 0.36 0.31 -0.84 1.90 3.64 -1.74 0.28 116.57 120.48 2qal h LYS 8 Ca 0.59 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 60.14 2qal h LYS 8 Cb 1.56 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.20 2qal h LYS 8 CO -0.28 0.20 0.33 -0.09 -2.27 0.00 0.00 179.45 177.35 2qal h ARG 9 N 0.32 0.39 -0.56 1.90 9.65 -1.02 -0.58 114.38 124.47 2qal h ARG 9 Ca 0.65 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.62 2qal h ARG 9 Cb 1.76 -0.09 -0.11 0.00 -1.39 0.00 0.00 29.97 30.14 2qal h ARG 9 CO -0.33 0.26 -0.17 0.00 2.80 0.00 0.00 179.97 182.53 2qal h ALA 10 N 1.65 0.30 -0.27 2.80 0.00 -0.62 0.42 119.26 123.54 2qal h ALA 10 Ca 0.50 0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.52 2qal h ALA 10 Cb 0.87 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2qal h ALA 10 CO -0.49 -0.47 -0.20 0.82 0.00 0.00 0.00 179.25 178.90 2qal h ILE 11 N -0.04 1.30 -0.26 0.00 2.04 -1.27 -0.74 117.51 118.55 2qal h ILE 11 Ca 0.26 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.83 2qal h ILE 11 Cb 0.44 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2qal h ILE 11 CO -0.59 0.42 0.00 -0.61 0.00 0.00 0.00 178.15 177.37 2qal h GLN 12 N 0.35 0.08 0.30 2.37 4.15 -0.18 0.31 115.11 122.48 2qal h GLN 12 Ca 0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2qal h GLN 12 Cb 0.74 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2qal h GLN 12 CO 0.05 0.05 -0.15 1.03 -1.93 0.00 0.00 178.83 177.89 2qal h SER 13 N 0.08 -0.34 -0.36 -0.69 0.87 -0.21 -1.96 113.55 110.93 2qal h SER 13 Ca 0.12 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 2qal h SER 13 Cb 0.16 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 2qal h SER 13 CO -0.20 -0.02 -0.06 -0.08 -0.53 0.00 0.00 176.83 175.93 2qal h GLU 14 N -0.68 0.03 -0.55 2.24 4.22 -0.97 0.27 114.58 119.14 2qal h GLU 14 Ca -0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 2qal h GLU 14 Cb 0.48 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2qal h GLU 14 CO 0.07 0.02 0.33 0.87 -2.18 0.00 0.00 179.01 178.12 2qal h LYS 15 N 0.03 0.73 -0.05 1.92 1.79 -0.41 -1.01 116.57 119.58 2qal h LYS 15 Ca 0.17 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2qal h LYS 15 Cb 0.26 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2qal h LYS 15 CO -0.35 0.52 -0.44 0.00 -1.08 0.00 0.00 179.45 178.10 2qal h ALA 16 N 1.61 1.18 -0.53 3.86 0.00 -0.36 -3.02 119.26 122.00 2qal h ALA 16 Ca 0.20 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2qal h ALA 16 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2qal h ALA 16 CO -0.04 0.58 0.23 -0.09 0.00 0.00 0.00 179.25 179.93 2qal h ARG 17 N 0.09 0.42 -0.18 0.00 1.12 0.39 -0.60 114.38 115.63 2qal h ARG 17 Ca 0.00 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2qal h ARG 17 Cb 0.82 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.67 2qal h ARG 17 CO 0.06 0.28 0.07 0.87 -3.11 0.00 0.00 179.97 178.15 2qal h LYS 18 N 0.44 0.16 0.01 0.20 1.57 -1.46 0.24 116.57 117.73 2qal h LYS 18 Ca 0.25 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2qal h LYS 18 Cb 0.23 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2qal h LYS 18 CO -0.22 0.11 -0.13 1.25 -0.57 0.00 0.00 179.45 179.90 2qal h HIS 19 N 0.17 -0.32 -0.27 -1.35 2.76 -1.44 -1.86 115.15 112.83 2qal h HIS 19 Ca 0.08 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2qal h HIS 19 Cb 0.03 0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 2qal h HIS 19 CO -0.10 -0.19 0.11 -0.91 -1.30 0.00 0.00 177.93 175.54 2qal h ASN 20 N -0.22 0.14 -0.00 3.26 4.21 -0.88 -2.34 115.58 119.76 2qal h ASN 20 Ca 0.04 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.57 2qal h ASN 20 Cb 0.27 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 2qal h ASN 20 CO -0.12 0.12 -0.01 0.00 -1.29 0.00 0.00 177.43 176.12 2qal h ALA 21 N 1.16 -0.48 -0.46 -0.83 0.00 -0.14 0.78 119.26 119.28 2qal h ALA 21 Ca 0.12 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2qal h ALA 21 Cb 0.07 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2qal h ALA 21 CO -0.10 -0.49 -0.51 0.66 0.00 0.00 0.00 179.25 178.81 2qal h SER 22 N -0.02 -1.75 -0.88 0.00 4.64 -1.36 0.76 113.55 114.94 2qal h SER 22 Ca 0.00 0.24 0.17 0.00 -0.47 0.00 0.00 61.79 61.73 2qal h SER 22 Cb 0.02 0.72 -0.10 0.00 -0.31 0.00 0.00 62.40 62.73 2qal h SER 22 CO -0.01 -0.34 0.44 0.03 -0.87 0.00 0.00 176.83 176.08 2qal h ARG 23 N -0.30 0.56 -0.34 4.77 2.47 -1.29 -0.04 114.38 120.20 2qal h ARG 23 Ca 0.08 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 2qal h ARG 23 Cb 0.51 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2qal h ARG 23 CO -0.59 0.37 0.07 -0.09 0.56 0.00 0.00 179.97 180.28 2qal h ARG 24 N 0.57 0.56 -0.29 0.04 2.43 0.33 -2.96 114.38 115.07 2qal h ARG 24 Ca 0.50 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2qal h ARG 24 Cb 0.80 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 2qal h ARG 24 CO -0.41 0.63 0.04 0.77 -1.51 0.00 0.00 179.97 179.48 2qal h SER 25 N 0.40 -0.03 -0.72 -3.80 0.02 0.22 -2.30 113.55 107.33 2qal h SER 25 Ca 0.10 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2qal h SER 25 Cb 0.33 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2qal h SER 25 CO 0.00 0.02 0.38 -0.03 -1.14 0.00 0.00 176.83 176.07 2qal h MET 26 N 0.14 0.65 0.76 3.45 1.85 -1.18 -1.17 114.93 119.42 2qal h MET 26 Ca 0.14 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.15 2qal h MET 26 Cb 0.16 -0.15 0.01 0.00 0.43 0.00 0.00 31.60 32.05 2qal h MET 26 CO -0.20 0.43 -0.36 1.98 -0.40 0.00 0.00 176.91 178.36 2qal h MET 27 N 0.67 -0.98 -0.62 0.39 -1.53 -1.29 -2.52 114.93 109.04 2qal h MET 27 Ca 0.34 0.07 0.13 0.00 -3.44 0.00 0.00 59.70 56.80 2qal h MET 27 Cb 0.31 0.22 -0.11 0.00 -0.55 0.00 0.00 31.60 31.47 2qal h MET 27 CO -0.24 -0.65 -0.10 0.00 0.14 0.00 0.00 176.91 176.06 2qal h ARG 28 N -1.04 0.03 -0.32 0.39 2.47 -1.14 -2.02 114.38 112.75 2qal h ARG 28 Ca -0.10 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2qal h ARG 28 Cb 0.78 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.05 2qal h ARG 28 CO 0.17 0.02 0.05 1.79 0.56 0.00 0.00 179.97 182.56 2qal h THR 29 N 0.03 0.83 -0.85 2.04 1.35 -1.11 -2.30 112.91 112.90 2qal h THR 29 Ca 0.31 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 66.09 2qal h THR 29 Cb 0.49 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 2qal h THR 29 CO -0.61 0.03 0.44 -0.26 -0.25 0.00 0.00 175.52 174.87 2qal h PHE 30 N 0.16 1.19 0.00 4.73 -1.00 -0.95 -2.20 116.94 118.88 2qal h PHE 30 Ca 0.15 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2qal h PHE 30 Cb 0.18 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 2qal h PHE 30 CO -0.19 0.84 -0.04 0.82 -1.61 0.00 0.00 178.31 178.13 2qal h ILE 31 N 1.20 0.98 -0.08 -0.55 2.04 -0.89 -2.89 117.51 117.32 2qal h ILE 31 Ca 0.30 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 2qal h ILE 31 Cb 0.07 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2qal h ILE 31 CO -0.04 0.04 -0.31 0.11 0.00 0.00 0.00 178.15 177.95 2qal h LYS 32 N 0.00 0.35 -1.17 2.37 1.57 -0.87 -3.02 116.57 115.81 2qal h LYS 32 Ca -0.00 -0.27 0.35 0.00 -1.87 0.00 0.00 60.65 58.86 2qal h LYS 32 Cb 0.08 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.32 2qal h LYS 32 CO 0.01 0.90 0.74 0.87 -0.57 0.00 0.00 179.45 181.40 2qal h LYS 33 N -0.12 0.23 0.21 3.15 1.57 -1.39 0.79 116.57 121.02 2qal h LYS 33 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2qal h LYS 33 Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2qal h LYS 33 CO 0.06 0.15 -0.10 0.28 -0.57 0.00 0.00 179.45 179.27 2qal h VAL 34 N 0.23 0.86 -0.72 0.50 2.07 -1.61 0.11 116.25 117.69 2qal h VAL 34 Ca 0.72 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2qal h VAL 34 Cb 2.03 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 2qal h VAL 34 CO -0.39 0.17 0.35 0.10 0.02 0.00 0.00 177.57 177.82 2qal h TYR 35 N -0.71 0.62 0.12 1.57 -0.00 0.03 0.47 116.97 119.07 2qal h TYR 35 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.73 2qal h TYR 35 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.05 2qal h TYR 35 CO 0.05 0.21 -0.06 0.00 -0.00 0.00 0.00 178.16 178.36 2qal h ALA 36 N 1.45 -0.16 0.74 0.10 0.00 0.36 -0.36 119.26 121.39 2qal h ALA 36 Ca 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qal h ALA 36 Cb 0.41 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qal h ALA 36 CO -0.29 -0.46 -0.39 0.00 0.00 0.00 0.00 179.25 178.11 2qal h ALA 37 N 0.43 -1.05 -0.93 0.00 0.00 -0.22 0.87 119.26 118.36 2qal h ALA 37 Ca -0.02 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.84 2qal h ALA 37 Cb 0.34 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2qal h ALA 37 CO 0.03 -1.09 0.59 0.97 0.00 0.00 0.00 179.25 179.75 2qal h ILE 38 N -1.04 0.79 0.01 0.00 -0.00 -0.14 0.35 117.51 117.49 2qal h ILE 38 Ca -0.10 -0.23 -0.21 0.00 -0.00 0.00 0.00 64.86 64.32 2qal h ILE 38 Cb 0.81 0.04 -0.01 0.00 -0.00 0.00 0.00 36.82 37.67 2qal h ILE 38 CO 0.14 0.12 -0.92 -0.08 -0.00 0.00 0.00 178.15 177.41 2qal h GLU 39 N 0.68 0.26 -0.09 2.19 4.22 -0.62 -3.07 114.58 118.16 2qal h GLU 39 Ca 0.48 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.63 2qal h GLU 39 Cb 0.82 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2qal h GLU 39 CO -0.24 1.02 0.00 0.00 -2.18 0.00 0.00 179.01 177.61 2qal n ALA 40 N -2.49 2.54 -2.11 2.92 0.00 0.30 -4.97 120.51 116.70 2qal n ALA 40 Ca -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2qal n ALA 40 Cb 0.83 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 2qal n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 41 N 0.85 -4.48 0.00 0.00 0.00 -0.22 -5.02 105.19 96.32 2qal n GLY 41 Ca 0.11 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2qal n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qal n ASP 42 N 1.07 0.00 -0.34 1.61 -0.08 -1.22 -4.97 116.55 112.62 2qal n ASP 42 Ca -0.22 0.00 0.36 0.00 -1.51 0.00 0.00 54.79 53.43 2qal n ASP 42 Cb 0.33 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.53 2qal n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qal h LYS 43 N 0.00 0.00 0.13 -0.67 -0.00 -1.93 -0.20 116.57 113.90 2qal h LYS 43 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 2qal h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2qal h LYS 43 CO 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 179.45 179.39 2qal h ALA 44 N 1.26 -0.65 -0.93 0.07 0.00 -1.98 -3.03 119.26 114.00 2qal h ALA 44 Ca 0.59 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.61 2qal h ALA 44 Cb 2.48 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.26 2qal h ALA 44 CO -0.01 -0.64 0.59 0.00 0.00 0.00 0.00 179.25 179.20 2qal h ALA 45 N -1.83 1.78 -0.13 0.00 0.00 -1.80 -2.18 119.26 115.10 2qal h ALA 45 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qal h ALA 45 Cb 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2qal h ALA 45 CO 0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 179.25 178.84 2qal h ALA 46 N 1.59 -0.53 -0.20 0.00 0.00 -1.13 0.23 119.26 119.23 2qal h ALA 46 Ca 0.48 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.44 2qal h ALA 46 Cb 0.74 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2qal h ALA 46 CO -0.24 -0.89 -0.22 1.96 0.00 0.00 0.00 179.25 179.87 2qal h GLN 47 N -0.47 -0.23 -0.76 0.00 1.08 -1.27 0.34 115.11 113.81 2qal h GLN 47 Ca 0.08 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.44 2qal h GLN 47 Cb 0.61 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.04 2qal h GLN 47 CO -0.38 -0.15 0.51 -0.22 -0.95 0.00 0.00 178.83 177.63 2qal h LYS 48 N -0.24 0.42 0.00 1.46 1.63 -1.15 0.02 116.57 118.71 2qal h LYS 48 Ca 0.12 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 2qal h LYS 48 Cb 0.42 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2qal h LYS 48 CO -0.34 0.28 -0.49 0.00 -3.45 0.00 0.00 179.45 175.44 2qal h ALA 49 N 1.64 0.77 0.09 5.00 0.00 0.13 -3.14 119.26 123.75 2qal h ALA 49 Ca 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qal h ALA 49 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qal h ALA 49 CO -0.12 0.25 -0.04 0.35 0.00 0.00 0.00 179.25 179.68 2qal h PHE 50 N 0.00 -0.11 0.00 0.00 3.04 0.15 -3.17 116.94 116.85 2qal h PHE 50 Ca -0.02 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2qal h PHE 50 Cb 1.16 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2qal h PHE 50 CO 0.00 -0.07 0.13 -2.95 -2.02 0.00 0.00 178.31 173.40 2qal h ASN 51 N -0.72 0.00 0.44 0.41 7.08 -1.56 0.43 115.58 121.66 2qal h ASN 51 Ca -0.01 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.07 2qal h ASN 51 Cb 0.09 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.32 2qal h ASN 51 CO 0.02 0.00 -0.60 1.05 -2.08 0.00 0.00 177.43 175.82 2qal h GLU 52 N 0.00 0.15 0.00 4.14 4.11 -1.61 -3.30 114.58 118.08 2qal h GLU 52 Ca 0.00 -0.10 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 2qal h GLU 52 Cb 0.26 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2qal h GLU 52 CO 0.00 0.70 -1.87 0.00 0.07 0.00 0.00 179.01 177.91 2qal n MET 53 N -3.86 0.84 -0.30 1.06 0.00 0.75 -4.49 117.12 111.11 2qal n MET 53 Ca -0.02 -0.10 0.07 0.00 0.00 0.00 0.00 57.70 57.65 2qal n MET 53 Cb 0.61 -1.40 0.18 0.00 0.00 0.00 0.00 33.22 32.60 2qal n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qal h GLN 54 N 0.00 0.03 -0.31 3.17 4.15 -0.41 0.21 115.11 121.96 2qal h GLN 54 Ca -0.15 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 2qal h GLN 54 Cb 1.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2qal h GLN 54 CO 0.01 0.02 -0.24 -1.00 -1.93 0.00 0.00 178.83 175.69 2qal h PRO 55 N 0.04 0.71 0.48 -2.39 0.13 -1.81 -2.49 132.00 126.67 2qal h PRO 55 Ca 0.47 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2qal h PRO 55 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2qal h PRO 55 CO -0.84 0.96 -0.47 0.82 -0.23 0.00 0.00 178.00 178.25 2qal h ILE 56 N 0.46 0.00 -0.53 -3.56 2.04 -0.94 0.54 117.51 115.52 2qal h ILE 56 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2qal h ILE 56 Cb 0.80 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2qal h ILE 56 CO 0.06 0.00 0.14 -0.37 0.00 0.00 0.00 178.15 177.99 2qal h VAL 57 N -0.95 0.74 -0.47 1.67 -1.51 -0.88 0.52 116.25 115.36 2qal h VAL 57 Ca -0.06 -0.10 -0.02 0.00 -1.23 0.00 0.00 66.70 65.28 2qal h VAL 57 Cb 0.82 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 2qal h VAL 57 CO -0.05 0.05 0.20 0.44 -1.23 0.00 0.00 177.57 176.99 2qal h ASP 58 N 0.29 0.64 0.43 4.19 3.32 -1.22 -2.14 116.42 121.94 2qal h ASP 58 Ca 0.27 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2qal h ASP 58 Cb 0.34 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2qal h ASP 58 CO -0.32 0.62 -0.21 -0.09 -1.72 0.00 0.00 179.24 177.53 2qal h ARG 59 N 0.62 -0.55 0.00 3.56 2.43 0.90 -0.86 114.38 120.48 2qal h ARG 59 Ca 0.16 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2qal h ARG 59 Cb 0.17 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qal h ARG 59 CO -0.02 -0.27 0.22 1.96 -1.51 0.00 0.00 179.97 180.35 2qal h GLN 60 N -0.78 0.00 0.05 0.20 1.08 0.03 0.11 115.11 115.80 2qal h GLN 60 Ca -0.06 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.81 2qal h GLN 60 Cb 0.54 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 2qal h GLN 60 CO 0.10 0.00 -1.89 0.00 -0.95 0.00 0.00 178.83 176.09 2qal n ALA 61 N -1.89 1.26 0.02 3.87 0.00 -0.81 -3.25 120.51 119.71 2qal n ALA 61 Ca -0.02 -0.75 0.21 0.00 0.00 0.00 0.00 53.44 52.89 2qal n ALA 61 Cb 0.26 -0.72 0.72 0.00 0.00 0.00 0.00 19.45 19.72 2qal n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qal h ALA 62 N 0.61 2.39 -2.30 0.00 0.00 0.69 -3.15 119.26 117.49 2qal h ALA 62 Ca -0.37 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.94 2qal h ALA 62 Cb 2.03 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 19.46 2qal h ALA 62 CO 0.07 -0.70 -0.82 1.63 0.00 0.00 0.00 179.25 179.43 2qal n LYS 63 N -4.11 1.44 0.00 0.00 4.76 -1.19 -5.04 118.16 114.02 2qal n LYS 63 Ca 0.10 -3.92 0.00 0.00 -2.87 0.00 0.00 58.31 51.61 2qal n LYS 63 Cb 0.64 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2qal n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qal n GLY 64 N 1.52 1.59 6.38 0.72 0.00 -1.20 -4.85 105.19 109.35 2qal n GLY 64 Ca 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2qal n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qal n LEU 65 N 0.00 0.00 0.02 0.99 7.94 -1.26 -0.07 117.00 124.61 2qal n LEU 65 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2qal n LEU 65 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2qal n LEU 65 CO 0.00 0.00 0.18 0.40 -1.11 0.00 0.00 177.39 176.86 2qal h ILE 66 N 0.00 0.44 -2.77 1.96 5.03 -1.85 -3.50 117.51 116.82 2qal h ILE 66 Ca 0.00 -1.14 0.31 0.00 -0.12 0.00 0.00 64.86 63.91 2qal h ILE 66 Cb 0.00 0.79 -0.10 0.00 -3.03 0.00 0.00 36.82 34.48 2qal h ILE 66 CO 0.00 0.13 -0.56 1.57 -0.68 0.00 0.00 178.15 178.61 2qal n HIS 67 N -4.86 -3.01 -3.59 1.37 -0.00 0.90 -4.82 115.22 101.21 2qal n HIS 67 Ca -0.04 1.53 0.00 0.00 0.46 0.00 0.00 57.72 59.67 2qal n HIS 67 Cb 0.17 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.30 2qal n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qal n LYS 68 N -3.70 0.00 0.00 1.57 4.76 -1.26 -3.52 118.16 116.01 2qal n LYS 68 Ca -0.01 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.56 2qal n LYS 68 Cb 0.64 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 34.56 2qal n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qal n ASN 69 N -3.28 0.00 -0.32 4.39 6.94 -1.26 -4.16 115.26 117.57 2qal n ASN 69 Ca 0.00 -0.52 -0.06 0.00 -0.02 0.00 0.00 54.58 53.98 2qal n ASN 69 Cb 0.00 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.28 2qal n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qal h LYS 70 N 0.00 -0.09 -0.24 -3.83 3.64 -1.87 0.30 116.57 114.48 2qal h LYS 70 Ca 0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2qal h LYS 70 Cb 0.10 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2qal h LYS 70 CO 0.00 -0.06 0.01 0.00 -2.27 0.00 0.00 179.45 177.13 2qal h ALA 71 N 0.87 0.32 -0.53 5.00 0.00 -1.77 -1.99 119.26 121.16 2qal h ALA 71 Ca 0.24 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2qal h ALA 71 Cb 0.54 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2qal h ALA 71 CO -0.86 0.04 -0.31 0.00 0.00 0.00 0.00 179.25 178.13 2qal h ALA 72 N 0.82 -0.02 -0.23 0.00 0.00 -1.13 -0.36 119.26 118.33 2qal h ALA 72 Ca 0.07 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2qal h ALA 72 Cb 0.39 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2qal h ALA 72 CO 0.01 -0.66 -0.35 0.07 0.00 0.00 0.00 179.25 178.32 2qal h ARG 73 N -0.17 0.49 -1.16 0.00 0.11 -0.51 -2.56 114.38 110.59 2qal h ARG 73 Ca 0.22 -0.23 0.34 0.00 0.10 0.00 0.00 59.98 60.41 2qal h ARG 73 Cb 0.54 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.56 2qal h ARG 73 CO -0.63 0.78 0.85 0.45 0.10 0.00 0.00 179.97 181.52 2qal h HIS 74 N 0.42 0.00 0.15 4.08 3.86 -0.27 0.07 115.15 123.46 2qal h HIS 74 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2qal h HIS 74 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2qal h HIS 74 CO 0.03 0.00 -0.07 0.87 0.86 0.00 0.00 177.93 179.62 2qal h LYS 75 N 0.00 -0.19 -0.55 2.45 1.57 -1.11 -3.12 116.57 115.61 2qal h LYS 75 Ca 0.55 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.39 2qal h LYS 75 Cb 2.25 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 34.54 2qal h LYS 75 CO -0.01 -0.13 -0.32 0.00 -0.57 0.00 0.00 179.45 178.42 2qal n ALA 76 N -2.74 -0.35 -0.01 3.86 0.00 -0.03 -0.10 120.51 121.13 2qal n ALA 76 Ca -0.03 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 2qal n ALA 76 Cb 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 2qal n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qal h ASN 77 N 0.00 0.12 -0.89 0.00 7.08 -1.63 0.11 115.58 120.36 2qal h ASN 77 Ca 0.09 -0.12 0.12 0.00 -3.08 0.00 0.00 56.30 53.31 2qal h ASN 77 Cb 0.23 -0.03 -0.08 0.00 -2.08 0.00 0.00 38.32 36.35 2qal h ASN 77 CO -0.52 0.20 0.51 0.25 -2.08 0.00 0.00 177.43 175.80 2qal h LEU 78 N 0.03 0.71 0.43 6.14 6.46 -1.18 -1.25 115.31 126.64 2qal h LEU 78 Ca 0.03 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2qal h LEU 78 Cb 0.12 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2qal h LEU 78 CO -0.00 0.36 -0.21 0.74 -0.62 0.00 0.00 178.44 178.71 2qal h THR 79 N 0.79 0.05 -0.50 1.05 2.02 -0.31 -2.71 112.91 113.30 2qal h THR 79 Ca 0.46 -0.59 0.14 0.00 0.77 0.00 0.00 66.41 67.19 2qal h THR 79 Cb 0.52 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2qal h THR 79 CO -0.30 0.01 0.80 0.00 0.37 0.00 0.00 175.52 176.41 2qal h ALA 80 N -1.11 2.28 0.10 6.16 0.00 -0.56 0.23 119.26 126.36 2qal h ALA 80 Ca -0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2qal h ALA 80 Cb 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2qal h ALA 80 CO 0.10 -1.06 -1.19 1.96 0.00 0.00 0.00 179.25 179.06 2qal h GLN 81 N 0.00 0.21 0.00 0.00 4.20 -1.20 -3.30 115.11 115.02 2qal h GLN 81 Ca 0.24 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2qal h GLN 81 Cb 1.84 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.75 2qal h GLN 81 CO -0.00 1.17 -0.04 -0.84 -0.67 0.00 0.00 178.83 178.45 2qal h ILE 82 N -0.44 0.15 -0.04 2.54 3.07 -0.32 0.95 117.51 123.42 2qal h ILE 82 Ca -0.26 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2qal h ILE 82 Cb 1.64 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.58 2qal h ILE 82 CO 0.04 0.04 0.00 0.59 -1.05 0.00 0.00 178.15 177.77 2qal n ASN 83 N -3.21 0.35 -0.51 2.16 3.02 0.13 -3.51 115.26 113.69 2qal n ASN 83 Ca -0.01 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 2qal n ASN 83 Cb 0.26 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.40 2qal n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qal n LYS 84 N -0.53 0.00 -0.12 3.52 5.02 0.21 -4.91 118.16 121.35 2qal n LYS 84 Ca 0.13 -0.69 -0.18 0.00 -2.02 0.00 0.00 58.31 55.55 2qal n LYS 84 Cb 0.11 -0.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.68 2qal n LYS 84 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2qal n LEU 85 N 0.00 2.86 0.00 -0.35 -0.00 -0.51 -5.03 117.00 113.97 2qal n LEU 85 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2qal n LEU 85 Cb 0.64 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2qal n LEU 85 CO -0.00 0.88 0.00 0.00 -0.00 0.00 0.00 177.39 178.27