#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n LYS 2 N 0.00 -2.97 -0.38 0.00 4.76 -1.26 -3.43 118.16 114.88 2qal n LYS 2 Ca 0.00 2.43 -0.05 0.00 -2.87 0.00 0.00 58.31 57.81 2qal n LYS 2 Cb 0.00 -3.77 -0.02 0.00 -1.84 0.00 0.00 35.03 29.40 2qal n LYS 2 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2qal n GLN 3 N 1.46 -0.31 -0.19 1.97 -0.06 -1.26 0.24 117.38 119.23 2qal n GLN 3 Ca -0.15 1.46 -0.09 0.00 -2.00 0.00 0.00 57.00 56.23 2qal n GLN 3 Cb 0.31 -2.16 -0.04 0.00 -4.06 0.00 0.00 30.24 24.29 2qal n GLN 3 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2qal h SER 4 N 0.00 -1.49 -0.50 1.69 4.64 -2.00 -0.12 113.55 115.77 2qal h SER 4 Ca 0.25 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2qal h SER 4 Cb 0.49 0.67 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2qal h SER 4 CO -0.93 -0.34 0.31 0.24 -0.87 0.00 0.00 176.83 175.24 2qal h MET 5 N -0.25 0.67 -1.00 4.77 2.86 -0.87 -1.11 114.93 120.00 2qal h MET 5 Ca 0.17 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.97 2qal h MET 5 Cb 0.57 -0.14 -0.11 0.00 0.06 0.00 0.00 31.60 31.97 2qal h MET 5 CO -0.67 0.47 0.61 -0.22 1.06 0.00 0.00 176.91 178.17 2qal h LYS 6 N 0.67 0.63 0.00 1.72 3.64 0.16 0.25 116.57 123.64 2qal h LYS 6 Ca 0.18 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 2qal h LYS 6 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2qal h LYS 6 CO -0.04 0.42 -0.99 0.00 -2.27 0.00 0.00 179.45 176.57 2qal h ALA 7 N 1.67 0.55 -0.79 5.00 0.00 -0.89 -3.30 119.26 121.50 2qal h ALA 7 Ca 0.59 -0.83 0.13 0.00 0.00 0.00 0.00 54.91 54.81 2qal h ALA 7 Cb 1.08 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2qal h ALA 7 CO -0.39 1.05 0.37 -0.09 0.00 0.00 0.00 179.25 180.19 2qal h ARG 8 N 0.00 0.54 0.14 0.00 2.43 0.79 -1.79 114.38 116.49 2qal h ARG 8 Ca -0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2qal h ARG 8 Cb 1.65 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2qal h ARG 8 CO 0.09 0.36 -0.07 1.49 -1.51 0.00 0.00 179.97 180.33 2qal h GLU 9 N 0.56 -0.18 -0.54 0.20 4.57 -1.51 -3.18 114.58 114.50 2qal h GLU 9 Ca 0.42 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.71 2qal h GLU 9 Cb 0.58 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.10 2qal h GLU 9 CO -0.36 -0.09 -0.33 0.28 -1.18 0.00 0.00 179.01 177.34 2qal h VAL 10 N -0.22 0.19 -0.48 0.32 2.07 -1.45 -1.72 116.25 114.95 2qal h VAL 10 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2qal h VAL 10 Cb 0.17 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 2qal h VAL 10 CO 0.03 0.00 0.03 0.11 0.02 0.00 0.00 177.57 177.76 2qal h LYS 11 N -0.18 0.14 -0.14 1.57 1.79 -1.49 0.78 116.57 119.03 2qal h LYS 11 Ca 0.22 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 2qal h LYS 11 Cb 0.54 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2qal h LYS 11 CO -0.64 0.09 0.12 0.00 -1.08 0.00 0.00 179.45 177.94 2qal h ARG 12 N 0.14 0.00 0.49 3.15 3.08 -1.31 -1.95 114.38 117.98 2qal h ARG 12 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2qal h ARG 12 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2qal h ARG 12 CO -0.38 0.00 -0.23 0.28 -1.07 0.00 0.00 179.97 178.56 2qal h VAL 13 N 0.00 0.00 -0.30 2.04 2.07 -0.37 -2.67 116.25 117.02 2qal h VAL 13 Ca 0.07 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2qal h VAL 13 Cb 0.30 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 2qal h VAL 13 CO -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.24 2qal h ALA 14 N -1.35 -0.32 -0.36 1.67 0.00 -1.17 -2.35 119.26 115.39 2qal h ALA 14 Ca -0.07 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2qal h ALA 14 Cb 0.50 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2qal h ALA 14 CO 0.11 -0.79 -0.40 -0.07 0.00 0.00 0.00 179.25 178.10 2qal h LEU 15 N -0.33 -1.30 -1.42 0.00 3.38 -1.46 0.50 115.31 114.67 2qal h LEU 15 Ca 0.13 0.20 0.24 0.00 0.09 0.00 0.00 57.88 58.55 2qal h LEU 15 Cb 0.56 0.57 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2qal h LEU 15 CO -0.48 -0.36 0.65 0.00 0.09 0.00 0.00 178.44 178.34 2qal h ALA 16 N 0.47 2.24 0.00 1.53 0.00 -1.06 -0.93 119.26 121.51 2qal h ALA 16 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qal h ALA 16 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qal h ALA 16 CO -0.53 -0.60 -0.21 -0.44 0.00 0.00 0.00 179.25 177.47 2qal h ASP 17 N 0.40 0.00 0.00 0.00 3.32 -0.68 -1.56 116.42 117.89 2qal h ASP 17 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2qal h ASP 17 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2qal h ASP 17 CO -0.25 0.57 0.14 0.29 -1.72 0.00 0.00 179.24 178.28 2qal n LYS 18 N -4.53 0.00 0.00 3.56 5.02 0.16 -3.39 118.16 118.98 2qal n LYS 18 Ca -0.03 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2qal n LYS 18 Cb 0.11 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2qal n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qal n TYR 19 N -1.21 0.00 -0.45 2.13 4.02 -0.37 -4.93 117.16 116.36 2qal n TYR 19 Ca 0.00 0.00 0.37 0.00 -0.01 0.00 0.00 57.90 58.26 2qal n TYR 19 Cb 0.14 0.00 0.60 0.00 -0.02 0.00 0.00 39.34 40.07 2qal n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2qal n PHE 20 N 0.00 0.48 -0.32 -0.72 3.72 -1.20 -0.71 117.46 118.71 2qal n PHE 20 Ca 0.00 0.48 0.19 0.00 -0.05 0.00 0.00 57.45 58.08 2qal n PHE 20 Cb 0.00 -0.90 0.39 0.00 -0.94 0.00 0.00 39.48 38.03 2qal n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qal h ALA 21 N 1.25 1.58 -0.00 4.37 0.00 -1.29 0.75 119.26 125.92 2qal h ALA 21 Ca 0.76 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.93 2qal h ALA 21 Cb 2.59 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.74 2qal h ALA 21 CO -0.32 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 179.95 2qal n LYS 22 N -5.26 1.66 0.00 0.00 4.76 0.11 -4.72 118.16 114.71 2qal n LYS 22 Ca 0.27 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 2qal n LYS 22 Cb 0.89 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 2qal n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qal n ARG 23 N -1.23 0.32 0.16 1.97 1.74 0.24 -4.78 116.66 115.08 2qal n ARG 23 Ca 0.13 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.39 2qal n ARG 23 Cb 0.56 -0.72 0.72 0.00 -1.02 0.00 0.00 32.46 32.00 2qal n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qal h ALA 24 N 0.00 1.92 -1.22 7.54 0.00 0.16 -0.84 119.26 126.82 2qal h ALA 24 Ca 0.00 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.25 2qal h ALA 24 Cb 0.44 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2qal h ALA 24 CO 0.00 -0.65 0.86 1.05 0.00 0.00 0.00 179.25 180.51 2qal h GLU 25 N 0.00 0.09 -0.61 0.00 9.09 -1.87 -2.32 114.58 118.95 2qal h GLU 25 Ca 0.15 -0.01 0.22 0.00 0.05 0.00 0.00 59.36 59.77 2qal h GLU 25 Cb 1.12 -0.02 -0.11 0.00 -1.65 0.00 0.00 28.75 28.09 2qal h GLU 25 CO -0.00 0.06 0.21 -0.11 0.05 0.00 0.00 179.01 179.22 2qal n LEU 26 N -4.29 0.11 0.00 3.06 0.00 -0.32 -1.19 117.00 114.35 2qal n LEU 26 Ca 0.28 1.03 0.00 0.00 0.00 0.00 0.00 56.01 57.31 2qal n LEU 26 Cb 1.24 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 44.21 2qal n LEU 26 CO 0.36 -1.11 0.46 2.29 0.00 0.00 0.00 177.39 179.39 2qal n LYS 27 N -4.54 0.00 0.03 1.96 2.85 -0.88 -0.44 118.16 117.14 2qal n LYS 27 Ca 0.20 0.68 0.02 0.00 -1.05 0.00 0.00 58.31 58.16 2qal n LYS 27 Cb 0.67 -1.42 0.09 0.00 -0.65 0.00 0.00 35.03 33.73 2qal n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qal n ALA 28 N -2.24 0.88 -1.76 0.58 0.00 -0.34 -0.67 120.51 116.97 2qal n ALA 28 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2qal n ALA 28 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2qal n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qal n ILE 29 N -1.57 0.00 0.14 0.00 5.41 0.41 -4.42 119.36 119.33 2qal n ILE 29 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 2qal n ILE 29 Cb 0.07 0.00 0.47 0.00 -0.71 0.00 0.00 39.64 39.47 2qal n ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qal n ILE 30 N 0.00 1.05 -0.98 1.39 -0.00 -0.62 -0.66 119.36 119.54 2qal n ILE 30 Ca 0.00 0.71 0.06 0.00 -0.00 0.00 0.00 62.75 63.52 2qal n ILE 30 Cb 0.00 -1.71 0.33 0.00 -0.00 0.00 0.00 39.64 38.26 2qal n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2qal n SER 31 N -2.11 4.83 -4.31 4.38 7.64 -0.51 0.29 113.62 123.83 2qal n SER 31 Ca -0.01 -3.04 -0.16 0.00 1.01 0.00 0.00 58.87 56.67 2qal n SER 31 Cb 0.09 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 2qal n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qal s ASP 32 N -1.32 1.69 -0.63 6.43 -1.08 0.17 -2.98 116.67 118.95 2qal s ASP 32 Ca 0.50 -1.22 -0.26 0.00 -0.52 0.00 0.00 52.55 51.05 2qal s ASP 32 Cb 0.39 0.04 -0.07 0.00 -1.46 0.00 0.00 42.92 41.82 2qal s ASP 32 CO 0.12 -0.53 2.23 -0.69 0.52 0.00 0.00 175.17 176.82 2qal s VAL 33 N -3.48 3.14 0.00 1.11 1.01 -1.26 -2.14 120.40 118.78 2qal s VAL 33 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2qal s VAL 33 Cb 0.06 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2qal s VAL 33 CO 0.08 -0.34 0.00 0.59 0.00 0.00 0.00 175.10 175.43 2qal n ASN 34 N 15.56 0.00 0.04 3.32 4.13 -1.26 -5.04 115.26 132.00 2qal n ASN 34 Ca 0.35 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.73 2qal n ASN 34 Cb 0.51 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.69 2qal n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qal n ALA 35 N -3.00 2.95 -2.99 5.41 0.00 -1.26 -5.19 120.51 116.43 2qal n ALA 35 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 2qal n ALA 35 Cb 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.55 2qal n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qal n ARG 40 N -2.28 -1.57 -3.55 0.00 3.00 0.14 -5.06 116.66 107.35 2qal n ARG 40 Ca -0.01 1.14 -0.25 0.00 -0.01 0.00 0.00 57.85 58.73 2qal n ARG 40 Cb 0.52 -5.41 -0.15 0.00 0.00 0.00 0.00 32.46 27.41 2qal n ARG 40 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2qal s TRP 41 N -3.15 0.11 0.38 -1.55 -0.00 -0.81 -4.91 118.94 109.02 2qal s TRP 41 Ca 0.18 -0.41 0.11 0.00 -0.00 0.00 0.00 56.10 55.98 2qal s TRP 41 Cb -0.02 -0.70 0.90 0.00 -0.00 0.00 0.00 33.47 33.65 2qal s TRP 41 CO 0.68 -0.66 1.89 -0.97 -0.00 0.00 0.00 176.95 177.88 2qal h ASN 42 N 8.39 0.56 0.62 5.86 -0.00 -1.97 0.26 115.58 129.30 2qal h ASN 42 Ca -0.17 0.03 -0.03 0.00 -0.00 0.00 0.00 56.30 56.13 2qal h ASN 42 Cb 1.10 -0.08 0.01 0.00 -0.00 0.00 0.00 38.32 39.34 2qal h ASN 42 CO 0.34 0.29 -0.30 0.00 -0.00 0.00 0.00 177.43 177.76 2qal h ALA 43 N 1.61 -0.83 -0.10 1.57 0.00 -1.97 -2.07 119.26 117.47 2qal h ALA 43 Ca 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2qal h ALA 43 Cb 0.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2qal h ALA 43 CO -0.17 -0.91 -0.10 -0.24 0.00 0.00 0.00 179.25 177.83 2qal h VAL 44 N -0.94 1.13 0.00 0.00 3.04 -1.77 -1.12 116.25 116.58 2qal h VAL 44 Ca -0.08 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2qal h VAL 44 Cb 0.67 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2qal h VAL 44 CO 0.14 0.18 0.00 0.25 -1.01 0.00 0.00 177.57 177.13 2qal h LEU 45 N 0.14 0.00 0.00 3.16 6.46 -0.28 -1.85 115.31 122.95 2qal h LEU 45 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2qal h LEU 45 Cb 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2qal h LEU 45 CO 0.02 0.00 -0.98 0.29 -0.62 0.00 0.00 178.44 177.14 2qal n LYS 46 N -2.93 0.23 0.00 1.25 5.02 -0.45 -4.22 118.16 117.06 2qal n LYS 46 Ca 0.00 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2qal n LYS 46 Cb 0.24 -1.57 0.03 0.00 -0.02 0.00 0.00 35.03 33.71 2qal n LYS 46 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2qal h LEU 47 N 0.00 0.66 -0.39 -0.35 5.85 -1.04 -3.17 115.31 116.86 2qal h LEU 47 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2qal h LEU 47 Cb 0.68 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2qal h LEU 47 CO 0.00 1.11 0.35 0.00 -0.34 0.00 0.00 178.44 179.57 2qal n GLN 48 N -3.93 0.04 -2.47 1.25 -0.00 -1.23 -4.23 117.38 106.81 2qal n GLN 48 Ca -0.04 0.41 -0.40 0.00 -0.00 0.00 0.00 57.00 56.97 2qal n GLN 48 Cb 0.65 -1.99 -0.03 0.00 -0.00 0.00 0.00 30.24 28.87 2qal n GLN 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2qal s THR 49 N -2.92 3.68 0.00 -0.39 2.01 -1.20 -3.94 115.64 112.88 2qal s THR 49 Ca -0.01 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2qal s THR 49 Cb 0.02 -4.77 0.00 0.00 0.01 0.00 0.00 72.50 67.76 2qal s THR 49 CO 0.05 -1.71 0.00 -0.11 -0.69 0.00 0.00 174.62 172.17 2qal n LEU 50 N 9.93 0.00 -0.05 4.42 7.94 -1.26 -5.03 117.00 132.94 2qal n LEU 50 Ca 0.09 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.96 2qal n LEU 50 Cb 0.50 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.42 2qal n LEU 50 CO 0.70 0.00 0.08 1.55 -1.11 0.00 0.00 177.39 178.61 2qal h PRO 51 N 0.00 0.00 0.00 1.96 0.13 -1.91 -3.48 132.00 128.70 2qal h PRO 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qal h PRO 51 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qal h PRO 51 CO 0.00 0.21 0.00 -2.13 -0.23 0.00 0.00 178.00 175.85 2qal n ARG 52 N -4.74 0.00 0.00 0.86 3.00 -1.26 -3.46 116.66 111.06 2qal n ARG 52 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2qal n ARG 52 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.56 2qal n ARG 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qal n ASP 53 N 3.47 0.00 0.01 6.15 8.00 -1.26 -0.41 116.55 132.51 2qal n ASP 53 Ca 0.00 0.36 0.09 0.00 0.71 0.00 0.00 54.79 55.95 2qal n ASP 53 Cb 0.00 -0.36 0.38 0.00 -0.02 0.00 0.00 41.12 41.12 2qal n ASP 53 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2qal n SER 54 N -1.35 0.05 -4.77 -2.24 2.88 -1.22 -4.26 113.62 102.71 2qal n SER 54 Ca 0.00 0.51 -0.40 0.00 -1.33 0.00 0.00 58.87 57.65 2qal n SER 54 Cb 0.06 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.99 2qal n SER 54 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qal s SER 55 N -3.09 6.53 0.10 -3.46 0.01 0.46 -3.64 113.70 110.61 2qal s SER 55 Ca 0.08 2.62 -0.13 0.00 1.31 0.00 0.00 55.95 59.82 2qal s SER 55 Cb 0.11 -2.64 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 2qal s SER 55 CO 0.33 -0.69 1.35 1.55 0.41 0.00 0.00 173.24 176.19 2qal h PRO 56 N 2.96 0.78 -1.98 12.44 0.13 -1.90 -3.29 132.00 141.14 2qal h PRO 56 Ca -0.49 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.10 2qal h PRO 56 Cb 1.24 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2qal h PRO 56 CO 0.64 1.16 0.00 0.43 -0.23 0.00 0.00 178.00 180.00 2qal n SER 57 N -4.06 3.20 0.00 1.44 7.64 -1.26 -3.15 113.62 117.42 2qal n SER 57 Ca -0.06 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 57.99 2qal n SER 57 Cb 0.63 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2qal n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qal n ARG 58 N 1.67 1.35 -2.33 1.43 1.74 -1.24 -5.06 116.66 114.22 2qal n ARG 58 Ca 0.00 -0.28 -0.25 0.00 -0.77 0.00 0.00 57.85 56.55 2qal n ARG 58 Cb 0.30 -0.75 0.09 0.00 -1.02 0.00 0.00 32.46 31.08 2qal n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qal s GLN 59 N -0.27 1.95 0.00 5.56 1.11 -1.19 -5.03 119.66 121.79 2qal s GLN 59 Ca 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 55.36 54.82 2qal s GLN 59 Cb 0.00 -2.22 0.00 0.00 -1.01 0.00 0.00 33.01 29.78 2qal s GLN 59 CO 0.00 -1.34 0.87 2.89 0.01 0.00 0.00 175.29 177.72 2qal n ARG 60 N -2.91 0.00 0.00 2.91 1.85 -1.26 -5.06 116.66 112.19 2qal n ARG 60 Ca 0.10 -0.79 0.00 0.00 -1.00 0.00 0.00 57.85 56.17 2qal n ARG 60 Cb 0.60 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 2qal n ARG 60 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2qal n ASN 61 N 0.00 0.00 -1.12 2.89 4.13 -1.26 -4.74 115.26 115.15 2qal n ASN 61 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qal n ASN 61 Cb 0.65 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 2qal n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2qal n ARG 62 N 0.00 -2.96 -1.96 3.52 1.74 -1.26 -4.70 116.66 111.04 2qal n ARG 62 Ca 0.00 2.29 -0.42 0.00 -0.77 0.00 0.00 57.85 58.95 2qal n ARG 62 Cb 0.00 -2.86 -0.03 0.00 -1.02 0.00 0.00 32.46 28.56 2qal n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qal h ARG 64 N 10.29 0.45 0.82 0.00 9.65 -1.82 0.31 114.38 134.08 2qal h ARG 64 Ca -0.40 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.42 2qal h ARG 64 Cb 1.19 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.67 2qal h ARG 64 CO 0.96 0.30 -0.39 1.96 2.80 0.00 0.00 179.97 185.60 2qal h GLN 65 N 0.46 -1.06 0.00 0.20 7.50 -1.89 -3.43 115.11 116.89 2qal h GLN 65 Ca 0.40 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.62 2qal h GLN 65 Cb 0.57 0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.34 2qal h GLN 65 CO -0.38 -0.71 0.00 0.25 -1.50 0.00 0.00 178.83 176.50 2qal n THR 66 N -5.33 0.00 0.00 -0.54 -2.24 -0.80 -5.08 114.28 100.29 2qal n THR 66 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qal n THR 66 Cb 0.43 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2qal n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qal n GLY 67 N 2.77 -0.19 3.35 3.38 0.00 0.10 -4.70 105.19 109.92 2qal n GLY 67 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 2qal n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qal n ARG 68 N 0.00 0.27 0.26 1.61 1.74 -1.26 -3.19 116.66 116.09 2qal n ARG 68 Ca 0.00 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.24 2qal n ARG 68 Cb 0.00 -1.78 0.67 0.00 -1.02 0.00 0.00 32.46 30.33 2qal n ARG 68 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2qal h PRO 69 N 10.71 0.00 0.00 5.56 0.13 -1.92 -2.98 132.00 143.49 2qal h PRO 69 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2qal h PRO 69 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2qal h PRO 69 CO 1.14 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.69 2qal n HIS 70 N -4.24 0.00 -1.06 1.56 8.25 -1.26 -4.58 115.22 113.89 2qal n HIS 70 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2qal n HIS 70 Cb 0.15 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 2qal n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qal n GLY 71 N 4.40 -0.34 3.07 -1.41 0.00 -1.26 -4.86 105.19 104.78 2qal n GLY 71 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 2qal n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qal s PHE 72 N 6.30 0.15 -0.27 1.61 2.19 -1.26 -1.90 117.98 124.79 2qal s PHE 72 Ca 0.96 -0.34 -0.04 0.00 0.33 0.00 0.00 56.93 57.84 2qal s PHE 72 Cb -0.90 -0.12 0.09 0.00 -1.31 0.00 0.00 43.02 40.79 2qal s PHE 72 CO 0.35 -0.27 0.12 -0.51 1.83 0.00 0.00 175.22 176.74 2qal s LEU 73 N -1.55 0.70 0.34 6.12 1.43 -1.05 -4.85 118.68 119.81 2qal s LEU 73 Ca -0.13 -1.21 0.13 0.00 -1.03 0.00 0.00 54.13 51.88 2qal s LEU 73 Cb -0.07 -0.39 1.09 0.00 0.03 0.00 0.00 46.19 46.84 2qal s LEU 73 CO -0.00 -0.42 1.55 0.54 0.23 0.00 0.00 176.35 178.25 2qal n ARG 74 N 5.21 -0.07 0.00 1.70 1.74 -1.26 0.23 116.66 124.21 2qal n ARG 74 Ca -0.06 1.41 -0.01 0.00 -0.77 0.00 0.00 57.85 58.42 2qal n ARG 74 Cb 0.43 -2.41 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 2qal n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2qal h LYS 75 N 0.00 -0.04 0.00 5.56 1.63 -1.96 -3.00 116.57 118.76 2qal h LYS 75 Ca 0.74 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.54 2qal h LYS 75 Cb 1.80 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 2qal h LYS 75 CO -0.83 -0.03 -0.06 1.19 -3.45 0.00 0.00 179.45 176.27 2qal n PHE 76 N -2.72 0.78 -1.08 1.91 0.99 -0.78 -4.92 117.46 111.64 2qal n PHE 76 Ca -0.00 0.23 -0.03 0.00 -0.00 0.00 0.00 57.45 57.64 2qal n PHE 76 Cb 0.02 -0.86 -0.01 0.00 -1.00 0.00 0.00 39.48 37.64 2qal n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qal n GLY 77 N 1.34 0.41 3.75 1.37 0.00 0.13 -4.97 105.19 107.22 2qal n GLY 77 Ca 0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2qal n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qal s LEU 78 N -0.64 3.19 0.53 0.99 1.02 -1.25 -3.05 118.68 119.46 2qal s LEU 78 Ca 0.00 -0.95 -0.16 0.00 0.02 0.00 0.00 54.13 53.04 2qal s LEU 78 Cb 0.00 -1.60 -0.07 0.00 0.02 0.00 0.00 46.19 44.54 2qal s LEU 78 CO 0.00 -0.47 0.99 -0.94 0.02 0.00 0.00 176.35 175.95 2qal s SER 79 N -3.91 6.54 0.48 2.29 1.04 -1.25 -2.53 113.70 116.36 2qal s SER 79 Ca 0.41 1.58 0.33 0.00 0.48 0.00 0.00 55.95 58.75 2qal s SER 79 Cb 0.01 -2.51 1.46 0.00 0.10 0.00 0.00 66.02 65.08 2qal s SER 79 CO 0.23 -0.64 1.68 0.08 0.98 0.00 0.00 173.24 175.57 2qal h ARG 80 N 0.81 0.10 0.15 4.02 0.11 -1.71 -2.04 114.38 115.83 2qal h ARG 80 Ca -0.47 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2qal h ARG 80 Cb 1.19 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2qal h ARG 80 CO 0.61 0.07 -0.07 0.82 0.10 0.00 0.00 179.97 181.50 2qal h ILE 81 N 0.11 0.00 -0.91 0.08 2.04 -1.91 -3.29 117.51 113.62 2qal h ILE 81 Ca 0.75 -0.46 0.25 0.00 1.00 0.00 0.00 64.86 66.40 2qal h ILE 81 Cb 2.55 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.49 2qal h ILE 81 CO -0.23 0.00 0.34 0.11 0.00 0.00 0.00 178.15 178.37 2qal h LYS 82 N -0.66 0.27 -0.19 2.37 1.79 -1.82 -0.51 116.57 117.82 2qal h LYS 82 Ca -0.02 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2qal h LYS 82 Cb 0.16 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.69 2qal h LYS 82 CO 0.03 0.18 -0.43 0.28 -1.08 0.00 0.00 179.45 178.43 2qal h VAL 83 N 0.28 0.00 -0.34 0.50 2.07 -1.52 0.32 116.25 117.56 2qal h VAL 83 Ca 0.59 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.17 2qal h VAL 83 Cb 1.22 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2qal h VAL 83 CO -0.62 0.00 0.04 -0.09 0.02 0.00 0.00 177.57 176.93 2qal h ARG 84 N -0.41 0.15 -0.20 1.57 2.43 -1.21 0.48 114.38 117.19 2qal h ARG 84 Ca 0.04 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2qal h ARG 84 Cb 0.51 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2qal h ARG 84 CO -0.39 0.10 -0.05 1.49 -1.51 0.00 0.00 179.97 179.61 2qal h GLU 85 N 0.15 0.00 0.02 0.20 4.81 -0.49 -2.39 114.58 116.89 2qal h GLU 85 Ca 0.16 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2qal h GLU 85 Cb 0.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qal h GLU 85 CO -0.23 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.04 2qal h ALA 86 N 1.20 -0.03 -1.42 2.92 0.00 -0.18 -3.27 119.26 118.48 2qal h ALA 86 Ca 0.10 -0.33 0.41 0.00 0.00 0.00 0.00 54.91 55.09 2qal h ALA 86 Cb 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2qal h ALA 86 CO -0.20 -0.16 1.00 0.00 0.00 0.00 0.00 179.25 179.89 2qal h ALA 87 N 0.19 3.23 -0.22 0.00 0.00 0.01 0.24 119.26 122.72 2qal h ALA 87 Ca -0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2qal h ALA 87 Cb 0.68 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qal h ALA 87 CO 0.01 -1.67 -0.57 0.52 0.00 0.00 0.00 179.25 177.53 2qal h MET 88 N 0.04 0.69 0.00 0.00 2.07 -1.47 -2.77 114.93 113.49 2qal h MET 88 Ca 0.70 -0.45 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 2qal h MET 88 Cb 2.68 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 32.46 2qal h MET 88 CO -0.07 1.07 0.00 0.54 1.07 0.00 0.00 176.91 179.52 2qal n ARG 89 N -3.97 0.87 -2.01 1.72 1.74 0.84 -4.86 116.66 110.99 2qal n ARG 89 Ca -0.04 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.98 2qal n ARG 89 Cb 0.63 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.63 2qal n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qal n GLY 90 N 0.69 0.20 0.14 -0.13 0.00 -1.05 -4.92 105.19 100.12 2qal n GLY 90 Ca 0.18 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2qal n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qal h GLU 91 N 0.00 0.00 -5.11 1.61 5.08 -1.75 -3.43 114.58 110.98 2qal h GLU 91 Ca -0.15 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.59 2qal h GLU 91 Cb 1.03 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.13 2qal h GLU 91 CO 0.18 0.54 -0.45 0.42 -1.00 0.00 0.00 179.01 178.70 2qal s ILE 92 N -3.01 5.32 0.32 3.13 1.01 -1.26 -5.01 121.20 121.70 2qal s ILE 92 Ca 0.03 0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 2qal s ILE 92 Cb 0.08 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 2qal s ILE 92 CO 0.75 0.30 1.22 -2.16 0.00 0.00 0.00 174.94 175.05 2qal s PRO 93 N 1.27 4.41 -2.20 2.79 0.04 -1.26 -3.55 135.00 136.50 2qal s PRO 93 Ca 0.10 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2qal s PRO 93 Cb -0.14 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2qal s PRO 93 CO 0.06 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2qal n GLY 94 N 0.91 1.91 3.22 0.56 0.00 -1.26 -4.97 105.19 105.56 2qal n GLY 94 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2qal n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qal s LEU 95 N -4.78 2.54 0.18 0.99 2.96 -1.23 -5.10 118.68 114.24 2qal s LEU 95 Ca 0.00 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 2qal s LEU 95 Cb 0.00 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 45.10 2qal s LEU 95 CO 0.00 -0.01 0.48 -1.59 -1.32 0.00 0.00 176.35 173.91 2qal s LYS 96 N 1.38 1.30 -0.43 1.98 -2.85 -1.26 -4.95 119.74 114.92 2qal s LYS 96 Ca 0.05 -0.85 -0.41 0.00 -1.00 0.00 0.00 55.97 53.76 2qal s LYS 96 Cb -0.14 0.50 -0.16 0.00 -2.06 0.00 0.00 37.83 35.97 2qal s LYS 96 CO -0.08 -0.54 2.11 1.63 0.10 0.00 0.00 175.35 178.57 2qal n LYS 97 N -0.31 0.48 -3.02 1.78 4.76 -1.26 -4.90 118.16 115.69 2qal n LYS 97 Ca -0.11 0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 55.08 2qal n LYS 97 Cb 0.63 -1.90 -0.06 0.00 -1.84 0.00 0.00 35.03 31.86 2qal n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qal s ALA 98 N 6.19 3.45 -0.01 7.82 0.00 -1.26 -5.06 121.76 132.88 2qal s ALA 98 Ca 1.14 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 2qal s ALA 98 Cb -1.23 -2.91 0.08 0.00 0.00 0.00 0.00 23.12 19.06 2qal s ALA 98 CO 0.60 0.31 0.70 -1.54 0.00 0.00 0.00 175.76 175.82 2qal s SER 99 N -1.25 -0.61 0.00 0.00 1.04 -1.26 -5.34 113.70 106.29 2qal s SER 99 Ca 0.37 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2qal s SER 99 Cb -0.22 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2qal s SER 99 CO 0.25 -0.67 0.00 -2.67 0.98 0.00 0.00 173.24 171.13