#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n SER 3 N 0.00 2.66 -0.85 2.89 7.64 -1.26 -4.72 113.62 119.98 2qal n SER 3 Ca 0.00 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2qal n SER 3 Cb 0.00 -1.26 -0.00 0.00 -1.01 0.00 0.00 64.21 61.93 2qal n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qal n LEU 4 N 7.47 0.18 0.00 -3.43 0.00 -1.26 -5.08 117.00 114.87 2qal n LEU 4 Ca 0.30 -1.41 0.00 0.00 0.00 0.00 0.00 56.01 54.90 2qal n LEU 4 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2qal n LEU 4 CO 0.77 0.59 0.00 0.29 0.00 0.00 0.00 177.39 179.04 2qal n LYS 5 N 0.15 0.00 -3.92 1.96 4.01 -1.26 -3.91 118.16 115.18 2qal n LYS 5 Ca -0.01 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.49 2qal n LYS 5 Cb 0.80 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 35.16 2qal n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qal s LYS 6 N 0.00 1.57 0.00 1.97 -0.14 -1.26 -4.99 119.74 116.89 2qal s LYS 6 Ca 0.00 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 2qal s LYS 6 Cb 0.00 -2.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2qal s LYS 6 CO 0.00 -0.51 0.00 0.41 -0.76 0.00 0.00 175.35 174.49 2qal n GLY 7 N 4.77 1.23 3.55 -3.33 0.00 -1.25 -5.04 105.19 105.12 2qal n GLY 7 Ca -0.12 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2qal n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qal n PRO 8 N 0.00 1.05 -2.97 1.61 -0.02 -1.26 -4.92 135.00 128.49 2qal n PRO 8 Ca 0.00 0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 2qal n PRO 8 Cb 0.00 -3.22 -0.06 0.00 -0.02 0.00 0.00 33.50 30.20 2qal n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qal s PHE 9 N 11.36 3.52 0.28 6.00 2.19 -1.26 -4.95 117.98 135.13 2qal s PHE 9 Ca 1.02 1.50 -0.15 0.00 0.33 0.00 0.00 56.93 59.63 2qal s PHE 9 Cb -0.32 -2.73 0.01 0.00 -1.31 0.00 0.00 43.02 38.68 2qal s PHE 9 CO 0.30 0.15 0.58 0.96 1.83 0.00 0.00 175.22 179.04 2qal s ILE 10 N -1.80 0.00 0.11 3.12 -4.36 -1.26 -2.80 121.20 114.22 2qal s ILE 10 Ca 0.52 -1.26 -0.17 0.00 -0.26 0.00 0.00 60.65 59.47 2qal s ILE 10 Cb -0.14 -2.25 -0.07 0.00 1.25 0.00 0.00 42.46 41.25 2qal s ILE 10 CO 0.19 0.00 0.57 -1.81 0.24 0.00 0.00 174.94 174.13 2qal s ASP 11 N -3.01 6.95 0.30 4.36 1.11 -1.26 -4.98 116.67 120.14 2qal s ASP 11 Ca 0.19 1.19 0.01 0.00 0.18 0.00 0.00 52.55 54.12 2qal s ASP 11 Cb -0.03 -2.33 0.55 0.00 1.07 0.00 0.00 42.92 42.18 2qal s ASP 11 CO 0.10 0.18 1.88 0.25 1.18 0.00 0.00 175.17 178.76 2qal h LEU 12 N 4.03 0.91 -0.02 1.23 6.46 -2.01 -3.07 115.31 122.83 2qal h LEU 12 Ca -0.49 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2qal h LEU 12 Cb 1.20 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 2qal h LEU 12 CO 0.64 0.54 -0.06 0.45 -0.62 0.00 0.00 178.44 179.40 2qal h HIS 13 N 1.01 -0.17 -0.96 1.25 -0.00 -2.00 -1.79 115.15 112.48 2qal h HIS 13 Ca 0.44 0.01 0.21 0.00 -0.00 0.00 0.00 60.37 61.02 2qal h HIS 13 Cb 0.34 0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 27.74 2qal h HIS 13 CO -0.00 -0.05 0.62 1.37 -0.00 0.00 0.00 177.93 179.86 2qal h LEU 14 N -0.06 0.57 0.58 2.43 -0.00 -1.97 -1.91 115.31 114.94 2qal h LEU 14 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 2qal h LEU 14 Cb 0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2qal h LEU 14 CO -0.05 0.20 -0.28 0.25 -0.00 0.00 0.00 178.44 178.57 2qal h LEU 15 N 0.55 -0.66 -1.50 0.17 6.46 -1.32 1.04 115.31 120.07 2qal h LEU 15 Ca 0.53 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.46 2qal h LEU 15 Cb 1.10 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 41.15 2qal h LEU 15 CO -0.27 -0.47 0.53 0.11 -0.62 0.00 0.00 178.44 177.72 2qal h LYS 16 N -0.78 0.48 0.01 1.25 1.57 -1.10 0.08 116.57 118.08 2qal h LYS 16 Ca -0.08 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2qal h LYS 16 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2qal h LYS 16 CO 0.13 0.31 -0.20 0.87 -0.57 0.00 0.00 179.45 179.99 2qal h LYS 17 N 0.49 0.12 -0.69 3.15 1.79 -1.19 -3.25 116.57 116.98 2qal h LYS 17 Ca 0.40 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 2qal h LYS 17 Cb 0.84 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 2qal h LYS 17 CO -0.15 0.93 0.26 -0.24 -1.08 0.00 0.00 179.45 179.17 2qal h VAL 18 N -0.62 1.24 -0.97 0.50 3.04 0.16 -2.63 116.25 116.97 2qal h VAL 18 Ca -0.03 -0.78 0.05 0.00 -1.01 0.00 0.00 66.70 64.93 2qal h VAL 18 Cb 1.00 0.43 -0.06 0.00 -2.01 0.00 0.00 31.29 30.65 2qal h VAL 18 CO 0.04 0.31 0.63 -0.08 -1.01 0.00 0.00 177.57 177.46 2qal h GLU 19 N 1.01 1.14 -0.83 4.17 4.57 -1.10 0.33 114.58 123.86 2qal h GLU 19 Ca 0.23 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2qal h GLU 19 Cb 0.22 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 2qal h GLU 19 CO -0.02 0.76 0.55 -0.22 -1.18 0.00 0.00 179.01 178.89 2qal h LYS 20 N 1.18 1.02 -0.57 1.92 3.11 -1.50 -0.54 116.57 121.18 2qal h LYS 20 Ca 0.40 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 58.14 2qal h LYS 20 Cb 0.09 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 31.06 2qal h LYS 20 CO -0.14 0.68 0.19 0.00 -2.81 0.00 0.00 179.45 177.37 2qal h ALA 21 N 1.51 1.26 -0.62 5.00 0.00 -0.88 0.18 119.26 125.71 2qal h ALA 21 Ca 0.32 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2qal h ALA 21 Cb -0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.45 2qal h ALA 21 CO -0.09 0.53 0.13 0.28 0.00 0.00 0.00 179.25 180.10 2qal h VAL 22 N 0.83 0.62 0.00 0.00 2.07 -0.37 0.50 116.25 119.90 2qal h VAL 22 Ca 0.19 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2qal h VAL 22 Cb 0.23 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2qal h VAL 22 CO -0.01 0.05 -0.39 1.05 0.02 0.00 0.00 177.57 178.29 2qal h GLU 23 N 0.26 0.00 0.00 1.57 -0.00 -1.41 -3.35 114.58 111.65 2qal h GLU 23 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.69 2qal h GLU 23 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 2qal h GLU 23 CO -0.42 0.05 0.33 0.66 -0.00 0.00 0.00 179.01 179.63 2qal h SER 24 N -1.00 0.00 -4.41 3.06 4.64 -0.69 -3.47 113.55 111.68 2qal h SER 24 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qal h SER 24 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2qal h SER 24 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 2qal n GLY 25 N -1.23 -0.60 3.71 -0.77 0.00 0.17 -4.95 105.19 101.53 2qal n GLY 25 Ca -0.02 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 2qal n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qal s ASP 26 N -2.89 3.92 0.00 1.61 1.11 -1.25 -4.70 116.67 114.47 2qal s ASP 26 Ca 0.00 2.39 0.00 0.00 0.18 0.00 0.00 52.55 55.12 2qal s ASP 26 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2qal s ASP 26 CO 0.00 -2.45 0.00 2.29 1.18 0.00 0.00 175.17 176.19 2qal n LYS 27 N -2.94 0.00 -0.88 8.23 2.85 -1.26 -5.08 118.16 119.08 2qal n LYS 27 Ca 0.14 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.10 2qal n LYS 27 Cb 0.50 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.07 2qal n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2qal s LYS 28 N 4.34 0.32 0.00 -1.58 0.00 -1.26 -4.67 119.74 116.89 2qal s LYS 28 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 55.97 56.88 2qal s LYS 28 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 37.83 36.14 2qal s LYS 28 CO 0.00 -2.91 0.00 -0.35 0.00 0.00 0.00 175.35 172.09 2qal n PRO 29 N -4.36 -1.48 -3.58 1.78 -0.04 -1.25 -4.62 135.00 121.46 2qal n PRO 29 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 2qal n PRO 29 Cb 0.55 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 2qal n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qal s LEU 30 N 0.00 1.62 -0.44 1.53 1.43 -0.87 -4.77 118.68 117.19 2qal s LEU 30 Ca 0.00 -2.20 -0.28 0.00 -1.03 0.00 0.00 54.13 50.62 2qal s LEU 30 Cb 0.00 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.49 2qal s LEU 30 CO 0.00 -0.32 2.36 -1.14 0.23 0.00 0.00 176.35 177.48 2qal n ARG 31 N 4.06 1.22 -3.99 1.70 3.00 -1.26 -0.90 116.66 120.49 2qal n ARG 31 Ca 0.08 0.19 -0.09 0.00 -0.00 0.00 0.00 57.85 58.02 2qal n ARG 31 Cb 0.37 -3.10 -0.11 0.00 0.00 0.00 0.00 32.46 29.62 2qal n ARG 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qal s THR 32 N 10.23 0.14 -0.30 5.15 2.01 -0.36 -4.97 115.64 127.53 2qal s THR 32 Ca 1.04 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 62.14 2qal s THR 32 Cb -0.40 -0.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.72 2qal s THR 32 CO 0.34 -0.51 0.26 0.79 -0.69 0.00 0.00 174.62 174.81 2qal n TRP 33 N 1.53 0.00 -0.60 4.92 8.01 -1.26 -2.15 117.44 127.89 2qal n TRP 33 Ca -0.24 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.87 2qal n TRP 33 Cb 0.55 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.76 2qal n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qal n SER 34 N -1.09 3.29 0.12 -0.99 3.41 -1.26 -4.44 113.62 112.66 2qal n SER 34 Ca 0.01 -2.10 0.09 0.00 -0.26 0.00 0.00 58.87 56.61 2qal n SER 34 Cb 0.09 -0.86 0.44 0.00 -0.26 0.00 0.00 64.21 63.63 2qal n SER 34 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2qal n ARG 35 N 2.90 0.11 -0.18 4.33 1.85 -1.26 -1.06 116.66 123.34 2qal n ARG 35 Ca 0.28 0.57 0.05 0.00 -1.00 0.00 0.00 57.85 57.75 2qal n ARG 35 Cb 0.48 -1.83 0.15 0.00 -1.05 0.00 0.00 32.46 30.21 2qal n ARG 35 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2qal n ARG 36 N -2.06 1.84 -3.83 2.89 1.85 -1.26 0.67 116.66 116.75 2qal n ARG 36 Ca -0.01 -1.23 -0.37 0.00 -1.00 0.00 0.00 57.85 55.25 2qal n ARG 36 Cb 0.05 -1.29 -0.06 0.00 -1.05 0.00 0.00 32.46 30.11 2qal n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qal s SER 37 N -0.96 6.43 0.39 2.89 0.01 -0.22 -4.84 113.70 117.39 2qal s SER 37 Ca 0.23 0.52 -0.25 0.00 1.31 0.00 0.00 55.95 57.76 2qal s SER 37 Cb 0.12 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.17 2qal s SER 37 CO 0.15 0.39 1.09 0.42 0.41 0.00 0.00 173.24 175.70 2qal s THR 38 N -0.99 3.54 0.28 1.44 -4.23 -1.12 -0.99 115.64 113.58 2qal s THR 38 Ca 0.16 1.25 -0.28 0.00 -1.18 0.00 0.00 61.69 61.63 2qal s THR 38 Cb -0.13 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 69.94 2qal s THR 38 CO 0.05 0.07 0.99 -0.63 -0.54 0.00 0.00 174.62 174.57 2qal s ILE 39 N -1.53 3.91 0.23 2.99 1.01 0.32 -4.84 121.20 123.28 2qal s ILE 39 Ca 0.56 1.80 0.11 0.00 0.00 0.00 0.00 60.65 63.12 2qal s ILE 39 Cb -0.25 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2qal s ILE 39 CO 0.32 0.34 -0.16 -0.36 0.00 0.00 0.00 174.94 175.08 2qal s PHE 40 N -1.31 2.43 -0.83 3.97 0.40 -1.26 -3.98 117.98 117.40 2qal s PHE 40 Ca 0.46 -0.30 0.13 0.00 -0.60 0.00 0.00 56.93 56.62 2qal s PHE 40 Cb -0.26 -1.14 0.59 0.00 0.51 0.00 0.00 43.02 42.73 2qal s PHE 40 CO 0.32 0.58 1.42 -0.35 0.70 0.00 0.00 175.22 177.90 2qal n PRO 41 N -0.21 0.05 -0.01 0.24 -0.04 -1.26 -2.41 135.00 131.36 2qal n PRO 41 Ca -0.09 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2qal n PRO 41 Cb 0.57 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2qal n PRO 41 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2qal h ASN 42 N 0.00 0.80 -0.11 3.54 -0.00 -2.00 -2.72 115.58 115.10 2qal h ASN 42 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 2qal h ASN 42 Cb 0.19 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 2qal h ASN 42 CO 0.00 1.26 0.00 1.15 -0.00 0.00 0.00 177.43 179.84 2qal n MET 43 N -3.93 1.47 -1.66 4.14 0.00 -1.01 -4.76 117.12 111.36 2qal n MET 43 Ca -0.05 -0.71 -0.65 0.00 0.00 0.00 0.00 57.70 56.29 2qal n MET 43 Cb 0.69 -1.35 -0.09 0.00 0.00 0.00 0.00 33.22 32.47 2qal n MET 43 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2qal n ILE 44 N -0.07 0.00 -3.80 3.17 0.13 -1.03 -0.13 119.36 117.64 2qal n ILE 44 Ca 0.15 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.53 2qal n ILE 44 Cb 0.23 -0.32 0.04 0.00 -0.84 0.00 0.00 39.64 38.75 2qal n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qal n GLY 45 N 3.11 -0.48 3.95 4.50 0.00 0.39 -4.86 105.19 111.80 2qal n GLY 45 Ca 0.27 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 2qal n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qal s LEU 46 N -7.20 3.65 -0.63 0.99 1.98 0.82 -4.79 118.68 113.50 2qal s LEU 46 Ca 0.55 -0.47 -0.18 0.00 -2.89 0.00 0.00 54.13 51.15 2qal s LEU 46 Cb -0.27 -2.47 0.12 0.00 0.66 0.00 0.00 46.19 44.24 2qal s LEU 46 CO 0.80 -0.61 0.70 -0.89 -1.89 0.00 0.00 176.35 174.46 2qal s THR 47 N -2.34 4.97 0.53 3.68 2.01 -1.26 -3.58 115.64 119.65 2qal s THR 47 Ca 0.49 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2qal s THR 47 Cb -0.08 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 67.98 2qal s THR 47 CO 0.30 -1.10 0.26 -0.38 -0.69 0.00 0.00 174.62 173.02 2qal n ILE 48 N 5.31 0.00 -3.68 1.82 5.41 0.53 -2.04 119.36 126.71 2qal n ILE 48 Ca -0.05 -2.25 -0.10 0.00 1.00 0.00 0.00 62.75 61.35 2qal n ILE 48 Cb 0.43 0.16 -0.10 0.00 -0.71 0.00 0.00 39.64 39.41 2qal n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qal s ALA 49 N -2.82 -1.15 -0.06 -1.39 0.00 -0.08 -2.04 121.76 114.23 2qal s ALA 49 Ca 0.20 1.60 0.06 0.00 0.00 0.00 0.00 51.96 53.82 2qal s ALA 49 Cb -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2qal s ALA 49 CO 0.13 -0.39 -0.25 0.08 0.00 0.00 0.00 175.76 175.33 2qal s VAL 50 N 1.71 2.03 0.90 0.00 1.01 -0.87 -1.23 120.40 123.95 2qal s VAL 50 Ca -0.08 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 2qal s VAL 50 Cb -0.09 -1.72 0.13 0.00 0.00 0.00 0.00 36.38 34.71 2qal s VAL 50 CO -0.13 0.56 1.15 -2.28 0.00 0.00 0.00 175.10 174.40 2qal s HIS 51 N -0.10 2.51 -0.14 5.22 2.46 -0.91 -0.58 115.29 123.73 2qal s HIS 51 Ca -0.05 0.80 0.05 0.00 0.47 0.00 0.00 55.06 56.33 2qal s HIS 51 Cb -0.14 -3.45 0.17 0.00 -0.13 0.00 0.00 32.58 29.03 2qal s HIS 51 CO 0.04 -2.30 0.98 0.27 -2.47 0.00 0.00 174.74 171.26 2qal n ASN 52 N -3.70 -0.82 0.00 9.88 6.94 -0.70 -4.89 115.26 121.97 2qal n ASN 52 Ca 0.07 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 2qal n ASN 52 Cb 0.60 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 2qal n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qal n GLY 53 N -0.65 2.25 0.00 4.83 0.00 -1.26 -4.69 105.19 105.67 2qal n GLY 53 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2qal n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qal n ARG 54 N 0.00 0.00 0.00 1.61 1.74 -1.26 -5.09 116.66 113.66 2qal n ARG 54 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2qal n ARG 54 Cb 0.00 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2qal n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qal n GLN 55 N -1.26 0.00 -3.40 5.56 1.13 -1.26 -5.14 117.38 113.01 2qal n GLN 55 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2qal n GLN 55 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.35 2qal n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qal s HIS 56 N -1.27 3.21 0.02 1.08 3.76 -1.26 -1.72 115.29 119.11 2qal s HIS 56 Ca 0.00 -0.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2qal s HIS 56 Cb 0.00 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 2qal s HIS 56 CO 0.00 -0.04 -0.09 0.14 -0.85 0.00 0.00 174.74 173.90 2qal s VAL 57 N -2.26 0.72 -0.97 -0.90 -7.23 0.25 -4.85 120.40 105.17 2qal s VAL 57 Ca 0.44 -0.68 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 2qal s VAL 57 Cb -0.10 -0.66 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2qal s VAL 57 CO 0.33 -0.00 1.98 -2.16 -0.31 0.00 0.00 175.10 174.94 2qal s PRO 58 N -0.76 2.44 -0.13 4.82 0.04 -1.26 -2.05 135.00 138.10 2qal s PRO 58 Ca -0.00 -0.45 -0.16 0.00 0.04 0.00 0.00 61.00 60.43 2qal s PRO 58 Cb -0.06 -5.08 -0.05 0.00 0.04 0.00 0.00 34.50 29.35 2qal s PRO 58 CO 0.00 -3.65 0.38 0.14 0.04 0.00 0.00 177.00 173.91 2qal s VAL 59 N 10.82 5.24 -0.11 -0.36 -7.23 -0.87 -4.94 120.40 122.95 2qal s VAL 59 Ca 0.72 0.74 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 2qal s VAL 59 Cb -0.06 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2qal s VAL 59 CO 0.04 0.38 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.69 2qal s PHE 60 N 0.39 1.98 0.72 2.82 0.08 -1.26 -0.35 117.98 122.36 2qal s PHE 60 Ca 0.21 -0.92 -0.15 0.00 0.12 0.00 0.00 56.93 56.19 2qal s PHE 60 Cb -0.14 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2qal s PHE 60 CO 0.07 -0.47 1.20 0.08 -0.10 0.00 0.00 175.22 176.00 2qal s VAL 61 N 0.95 2.42 0.17 -0.44 1.01 -1.23 -4.79 120.40 118.49 2qal s VAL 61 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2qal s VAL 61 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2qal s VAL 61 CO -0.01 -0.11 0.09 -0.89 0.00 0.00 0.00 175.10 174.19 2qal s THR 62 N -2.00 0.06 0.00 3.92 2.01 -1.23 -0.46 115.64 117.94 2qal s THR 62 Ca 0.74 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.78 2qal s THR 62 Cb -0.28 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 69.94 2qal s THR 62 CO 0.44 -0.22 0.19 -0.67 -0.69 0.00 0.00 174.62 173.68 2qal n ASP 63 N -0.19 0.00 0.30 3.53 -0.08 -1.26 -1.84 116.55 117.01 2qal n ASP 63 Ca -0.02 0.19 0.15 0.00 -1.51 0.00 0.00 54.79 53.61 2qal n ASP 63 Cb 0.65 0.00 0.92 0.00 2.34 0.00 0.00 41.12 45.02 2qal n ASP 63 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2qal h GLU 64 N 0.00 0.00 -4.70 -0.67 -0.00 -2.04 -3.35 114.58 103.83 2qal h GLU 64 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 59.36 58.77 2qal h GLU 64 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 28.78 2qal h GLU 64 CO 0.00 0.00 2.03 -0.12 -0.00 0.00 0.00 179.01 180.92 2qal n MET 65 N -3.85 1.50 0.07 1.06 1.56 -0.77 -4.09 117.12 112.61 2qal n MET 65 Ca -0.03 -1.96 0.00 0.00 -0.27 0.00 0.00 57.70 55.44 2qal n MET 65 Cb 0.09 -3.08 0.00 0.00 2.15 0.00 0.00 33.22 32.38 2qal n MET 65 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2qal n VAL 66 N 6.39 0.12 0.00 1.12 0.24 -1.26 -3.52 118.33 121.42 2qal n VAL 66 Ca 0.49 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.82 2qal n VAL 66 Cb 0.42 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2qal n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qal n GLY 67 N 1.83 0.00 4.03 7.63 0.00 -1.26 -1.56 105.19 115.87 2qal n GLY 67 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2qal n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qal s HIS 68 N -1.72 1.75 -0.08 1.61 3.76 -1.26 -4.82 115.29 114.52 2qal s HIS 68 Ca 0.00 -0.61 -0.05 0.00 -0.15 0.00 0.00 55.06 54.25 2qal s HIS 68 Cb 0.00 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2qal s HIS 68 CO 0.00 -1.03 0.13 0.15 -0.85 0.00 0.00 174.74 173.14 2qal s LYS 69 N -4.63 3.35 0.37 1.40 -0.14 -1.26 0.12 119.74 118.95 2qal s LYS 69 Ca 0.61 -0.23 0.20 0.00 -1.36 0.00 0.00 55.97 55.19 2qal s LYS 69 Cb -0.07 -3.09 1.11 0.00 -1.68 0.00 0.00 37.83 34.10 2qal s LYS 69 CO 0.38 0.74 1.59 1.25 -0.76 0.00 0.00 175.35 178.54 2qal h LEU 70 N 4.68 0.00 0.19 3.17 5.85 -1.01 -2.11 115.31 126.09 2qal h LEU 70 Ca -0.53 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 57.87 2qal h LEU 70 Cb 1.21 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.26 2qal h LEU 70 CO 0.60 0.00 -1.49 1.23 -0.34 0.00 0.00 178.44 178.44 2qal h GLY 71 N 0.00 0.46 -0.86 3.75 0.00 -0.02 -3.33 103.07 103.07 2qal h GLY 71 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.16 2qal h GLY 71 CO 0.00 1.02 0.00 -1.84 0.00 0.00 0.00 176.54 175.72 2qal n GLU 72 N -3.60 0.42 0.00 4.80 0.28 -0.79 -1.08 120.64 120.67 2qal n GLU 72 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2qal n GLU 72 Cb 1.07 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 32.76 2qal n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qal n PHE 73 N 0.18 0.00 -3.96 -1.84 3.01 -1.25 -4.93 117.46 108.67 2qal n PHE 73 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 2qal n PHE 73 Cb 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.42 2qal n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qal s ALA 74 N -0.29 3.15 0.49 4.37 0.00 -0.24 -5.08 121.76 124.15 2qal s ALA 74 Ca 0.00 -2.93 -0.24 0.00 0.00 0.00 0.00 51.96 48.79 2qal s ALA 74 Cb 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 2qal s ALA 74 CO 0.00 -1.87 1.40 -0.35 0.00 0.00 0.00 175.76 174.93 2qal n PRO 75 N 3.68 2.01 0.00 0.00 -0.04 -1.26 -4.94 135.00 134.45 2qal n PRO 75 Ca 0.04 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2qal n PRO 75 Cb 0.37 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2qal n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qal n THR 76 N -0.55 0.00 -1.72 0.52 -1.04 -1.26 -4.95 114.28 105.29 2qal n THR 76 Ca 0.07 0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 62.01 2qal n THR 76 Cb 0.43 -1.35 -0.02 0.00 -1.82 0.00 0.00 70.33 67.57 2qal n THR 76 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2qal n ARG 77 N -2.19 2.43 -3.12 -2.82 1.85 -1.26 -4.97 116.66 106.58 2qal n ARG 77 Ca 0.00 0.86 -0.40 0.00 -1.00 0.00 0.00 57.85 57.32 2qal n ARG 77 Cb 0.00 -2.59 -0.05 0.00 -1.05 0.00 0.00 32.46 28.76 2qal n ARG 77 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2qal s THR 78 N -0.06 5.06 -0.29 8.89 2.01 -1.26 -5.04 115.64 124.95 2qal s THR 78 Ca 0.65 1.26 -0.00 0.00 0.31 0.00 0.00 61.69 63.91 2qal s THR 78 Cb -0.56 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.08 2qal s THR 78 CO 0.49 0.20 0.07 -0.47 -0.69 0.00 0.00 174.62 174.22 2qal s TYR 79 N 1.26 1.90 0.00 4.92 5.04 -1.26 -5.32 117.35 123.89 2qal s TYR 79 Ca 0.32 -1.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.20 2qal s TYR 79 Cb -0.16 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.42 2qal s TYR 79 CO 0.13 -0.84 0.00 0.54 -1.34 0.00 0.00 175.55 174.05