#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n MET 2 N 0.00 0.45 0.00 4.33 0.00 -1.26 -4.62 117.12 116.03 2qal n MET 2 Ca 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 57.70 56.79 2qal n MET 2 Cb 0.00 -3.74 0.13 0.00 0.00 0.00 0.00 33.22 29.61 2qal n MET 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2qal n GLN 3 N 8.64 1.41 -3.31 2.12 6.02 -1.26 -4.70 117.38 126.31 2qal n GLN 3 Ca 0.46 -1.10 -0.10 0.00 -0.01 0.00 0.00 57.00 56.25 2qal n GLN 3 Cb 0.44 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 2qal n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qal s ASP 4 N -2.35 0.32 0.26 1.08 3.68 -1.26 -4.89 116.67 113.50 2qal s ASP 4 Ca 0.23 -0.95 0.01 0.00 2.13 0.00 0.00 52.55 53.97 2qal s ASP 4 Cb 0.19 1.06 0.33 0.00 -1.45 0.00 0.00 42.92 43.05 2qal s ASP 4 CO 0.49 -0.28 1.67 1.55 0.13 0.00 0.00 175.17 178.73 2qal h PRO 5 N 7.48 0.52 -0.25 4.34 0.13 -1.99 -3.20 132.00 139.04 2qal h PRO 5 Ca -0.00 -0.22 0.04 0.00 -0.87 0.00 0.00 66.00 64.94 2qal h PRO 5 Cb 1.11 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2qal h PRO 5 CO 0.21 0.77 0.04 0.82 -0.23 0.00 0.00 178.00 179.60 2qal h ILE 6 N 0.45 0.87 -0.58 -3.56 1.08 -2.00 -2.50 117.51 111.27 2qal h ILE 6 Ca 0.06 -0.04 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 2qal h ILE 6 Cb 0.75 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 2qal h ILE 6 CO 0.06 0.02 0.21 0.00 -0.69 0.00 0.00 178.15 177.75 2qal h ALA 7 N 1.19 0.73 -0.20 1.87 0.00 -1.96 -2.11 119.26 118.79 2qal h ALA 7 Ca 0.11 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2qal h ALA 7 Cb 0.12 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2qal h ALA 7 CO -0.16 -0.20 -0.21 0.22 0.00 0.00 0.00 179.25 178.90 2qal h ASP 8 N 0.39 -0.67 -0.29 0.00 -0.00 -1.50 0.96 116.42 115.32 2qal h ASP 8 Ca 0.29 0.12 0.06 0.00 -0.00 0.00 0.00 57.03 57.50 2qal h ASP 8 Cb 0.34 0.32 -0.06 0.00 -0.00 0.00 0.00 39.33 39.92 2qal h ASP 8 CO -0.29 -0.26 -0.13 -0.03 -0.00 0.00 0.00 179.24 178.53 2qal h MET 9 N -0.24 -0.08 0.54 0.28 4.05 -1.11 0.29 114.93 118.67 2qal h MET 9 Ca 0.12 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2qal h MET 9 Cb 0.42 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2qal h MET 9 CO -0.33 -0.06 -0.37 -0.07 0.23 0.00 0.00 176.91 176.31 2qal h LEU 10 N -0.09 -0.95 -1.21 3.39 3.38 -0.79 -2.49 115.31 116.55 2qal h LEU 10 Ca 0.15 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.29 2qal h LEU 10 Cb 0.32 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 2qal h LEU 10 CO -0.35 -0.56 0.58 0.71 0.09 0.00 0.00 178.44 178.91 2qal h THR 11 N -0.88 0.94 -0.81 0.22 1.35 -0.55 -0.78 112.91 112.41 2qal h THR 11 Ca -0.06 -0.29 0.06 0.00 -0.55 0.00 0.00 66.41 65.57 2qal h THR 11 Cb 0.73 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.11 2qal h THR 11 CO 0.04 0.16 0.53 0.03 -0.25 0.00 0.00 175.52 176.02 2qal h ARG 12 N 0.85 0.87 0.20 4.72 2.47 -0.04 -0.34 114.38 123.11 2qal h ARG 12 Ca 0.42 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.08 2qal h ARG 12 Cb 0.47 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2qal h ARG 12 CO -0.19 0.58 -0.10 0.82 0.56 0.00 0.00 179.97 181.64 2qal h ILE 13 N 0.90 0.74 -0.77 2.04 2.04 -0.73 -2.13 117.51 119.59 2qal h ILE 13 Ca 0.34 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2qal h ILE 13 Cb 0.20 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2qal h ILE 13 CO -0.12 0.19 0.50 0.08 0.00 0.00 0.00 178.15 178.80 2qal h ARG 14 N -0.88 0.97 -0.68 2.37 0.11 -1.36 0.29 114.38 115.19 2qal h ARG 14 Ca -0.03 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2qal h ARG 14 Cb 0.51 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 2qal h ARG 14 CO 0.05 0.64 0.34 -0.91 0.10 0.00 0.00 179.97 180.19 2qal h ASN 15 N 1.00 0.88 -0.01 0.08 2.35 -1.15 -2.42 115.58 116.31 2qal h ASN 15 Ca 0.30 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2qal h ASN 15 Cb -0.05 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 2qal h ASN 15 CO -0.09 0.76 0.00 1.23 -1.65 0.00 0.00 177.43 177.68 2qal h GLY 16 N 0.95 0.02 -0.39 2.83 0.00 -0.65 -2.40 103.07 103.42 2qal h GLY 16 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.60 2qal h GLY 16 CO -0.03 0.01 -0.42 1.46 0.00 0.00 0.00 176.54 177.56 2qal h GLN 17 N -0.26 -0.24 0.00 4.80 1.08 -0.27 0.59 115.11 120.81 2qal h GLN 17 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2qal h GLN 17 Cb 0.29 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2qal h GLN 17 CO 0.00 -0.16 0.04 0.00 -0.95 0.00 0.00 178.83 177.76 2qal h ALA 18 N -0.27 1.03 -0.03 3.87 0.00 -1.48 0.20 119.26 122.58 2qal h ALA 18 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qal h ALA 18 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qal h ALA 18 CO -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 178.72 2qal n ALA 19 N -2.00 2.55 -0.59 0.00 0.00 0.19 -4.91 120.51 115.74 2qal n ALA 19 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2qal n ALA 19 Cb 0.10 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2qal n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qal n ASN 20 N 0.46 0.00 -4.61 0.00 4.13 0.69 -4.90 115.26 111.03 2qal n ASN 20 Ca 0.18 0.00 -0.53 0.00 1.68 0.00 0.00 54.58 55.91 2qal n ASN 20 Cb 0.41 -1.85 -0.06 0.00 -1.54 0.00 0.00 39.78 36.74 2qal n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qal n LYS 21 N -2.00 1.11 -0.05 3.52 4.76 -1.02 -4.87 118.16 119.61 2qal n LYS 21 Ca 0.00 0.40 -0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2qal n LYS 21 Cb 0.00 -2.05 -0.06 0.00 -1.84 0.00 0.00 35.03 31.08 2qal n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qal h ALA 22 N 4.90 -0.65 -2.55 7.82 0.00 -1.91 -3.44 119.26 123.43 2qal h ALA 22 Ca -0.48 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 53.95 2qal h ALA 22 Cb 1.34 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 19.91 2qal h ALA 22 CO 0.80 -0.79 -0.51 0.00 0.00 0.00 0.00 179.25 178.75 2qal s ALA 23 N -4.88 2.04 0.11 0.00 0.00 -1.26 -2.98 121.76 114.79 2qal s ALA 23 Ca -0.09 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.08 2qal s ALA 23 Cb 0.05 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.41 2qal s ALA 23 CO 0.37 -0.57 -0.10 0.54 0.00 0.00 0.00 175.76 176.00 2qal s VAL 24 N -3.47 1.00 0.11 0.00 0.11 0.90 -4.90 120.40 114.15 2qal s VAL 24 Ca 0.36 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.62 2qal s VAL 24 Cb 0.03 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2qal s VAL 24 CO 0.22 -0.64 -0.01 0.42 -3.33 0.00 0.00 175.10 171.77 2qal s THR 25 N -2.80 0.40 0.00 5.04 -4.23 -1.26 -0.87 115.64 111.93 2qal s THR 25 Ca 0.09 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2qal s THR 25 Cb -0.01 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2qal s THR 25 CO -0.00 -0.72 0.00 1.15 -0.54 0.00 0.00 174.62 174.51 2qal n MET 26 N -0.06 0.00 -1.97 3.99 0.00 -1.24 -4.96 117.12 112.88 2qal n MET 26 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.18 2qal n MET 26 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.81 2qal n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qal s PRO 27 N -2.00 4.18 1.06 3.17 0.04 -1.26 -1.18 135.00 139.00 2qal s PRO 27 Ca 0.00 2.24 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 2qal s PRO 27 Cb 0.00 -3.99 0.23 0.00 0.04 0.00 0.00 34.50 30.78 2qal s PRO 27 CO 0.00 -0.85 1.21 -1.54 0.04 0.00 0.00 177.00 175.85 2qal s SER 28 N 3.43 2.25 -0.29 6.66 1.04 -1.06 -4.90 113.70 120.83 2qal s SER 28 Ca 0.75 0.52 -0.28 0.00 0.48 0.00 0.00 55.95 57.42 2qal s SER 28 Cb -0.35 -0.72 0.19 0.00 0.10 0.00 0.00 66.02 65.25 2qal s SER 28 CO 0.31 -3.29 1.37 -0.94 0.98 0.00 0.00 173.24 171.67 2qal s SER 29 N -4.35 -0.05 0.08 7.02 1.04 -1.26 -4.91 113.70 111.27 2qal s SER 29 Ca 0.71 0.07 -0.16 0.00 0.48 0.00 0.00 55.95 57.05 2qal s SER 29 Cb -0.08 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2qal s SER 29 CO 0.54 -0.04 0.83 0.29 0.98 0.00 0.00 173.24 175.84 2qal n LYS 30 N 0.81 -0.23 0.03 4.02 5.02 -1.26 -0.43 118.16 126.11 2qal n LYS 30 Ca -0.03 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 56.96 2qal n LYS 30 Cb 0.58 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.34 2qal n LYS 30 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2qal h LEU 31 N 0.00 -0.05 -0.91 -0.35 5.85 -2.00 -2.51 115.31 115.35 2qal h LEU 31 Ca 0.08 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.02 2qal h LEU 31 Cb 0.22 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 2qal h LEU 31 CO -0.50 -0.02 0.46 0.11 -0.34 0.00 0.00 178.44 178.15 2qal h LYS 32 N -0.01 0.51 0.49 1.25 1.57 -1.14 -1.37 116.57 117.87 2qal h LYS 32 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2qal h LYS 32 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2qal h LYS 32 CO -0.04 0.34 -0.24 0.28 -0.57 0.00 0.00 179.45 179.22 2qal h VAL 33 N 0.52 0.51 -0.74 0.50 2.07 -0.92 -0.38 116.25 117.82 2qal h VAL 33 Ca 0.55 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 68.14 2qal h VAL 33 Cb 0.96 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.17 2qal h VAL 33 CO -0.46 0.02 0.16 0.00 0.02 0.00 0.00 177.57 177.30 2qal h ALA 34 N -0.22 0.94 0.14 1.67 0.00 -0.88 0.43 119.26 121.34 2qal h ALA 34 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qal h ALA 34 Cb 0.53 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qal h ALA 34 CO 0.11 -0.36 -0.07 0.82 0.00 0.00 0.00 179.25 179.76 2qal h ILE 35 N 0.24 0.97 -0.74 0.00 2.04 -1.17 -2.19 117.51 116.67 2qal h ILE 35 Ca 0.42 -0.44 0.10 0.00 1.00 0.00 0.00 64.86 65.94 2qal h ILE 35 Cb 0.72 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2qal h ILE 35 CO -0.53 0.10 0.48 0.00 0.00 0.00 0.00 178.15 178.21 2qal h ALA 36 N 0.45 1.84 0.33 1.87 0.00 0.18 -0.90 119.26 123.03 2qal h ALA 36 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qal h ALA 36 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qal h ALA 36 CO 0.03 0.01 -0.16 -0.97 0.00 0.00 0.00 179.25 178.16 2qal h ASN 37 N 0.63 -0.37 -0.76 0.00 -0.73 0.07 -2.07 115.58 112.36 2qal h ASN 37 Ca 0.34 -0.08 0.08 0.00 1.87 0.00 0.00 56.30 58.51 2qal h ASN 37 Cb 0.47 0.10 -0.05 0.00 0.27 0.00 0.00 38.32 39.11 2qal h ASN 37 CO -0.12 -0.15 0.50 0.58 -0.37 0.00 0.00 177.43 177.87 2qal h VAL 38 N -0.58 0.99 0.00 2.57 2.07 -0.76 0.13 116.25 120.67 2qal h VAL 38 Ca -0.04 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2qal h VAL 38 Cb 0.43 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qal h VAL 38 CO 0.07 0.14 -0.17 -0.07 0.02 0.00 0.00 177.57 177.56 2qal h LEU 39 N 0.76 0.00 0.05 2.57 3.38 -0.87 -1.71 115.31 119.49 2qal h LEU 39 Ca 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.08 2qal h LEU 39 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2qal h LEU 39 CO -0.12 0.17 -1.24 0.50 0.09 0.00 0.00 178.44 177.84 2qal h LYS 40 N 0.00 0.10 -0.06 1.13 3.64 -0.22 0.12 116.57 121.27 2qal h LYS 40 Ca -0.00 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2qal h LYS 40 Cb 0.35 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2qal h LYS 40 CO 0.02 1.08 0.08 0.93 -2.27 0.00 0.00 179.45 179.29 2qal h GLU 41 N -0.67 0.00 -0.01 1.90 4.39 -0.76 -0.56 114.58 118.87 2qal h GLU 41 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2qal h GLU 41 Cb 1.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2qal h GLU 41 CO -0.07 0.00 -0.44 0.39 -1.16 0.00 0.00 179.01 177.72 2qal n GLU 42 N -3.76 0.85 -2.24 2.33 -0.58 -0.65 -4.99 120.64 111.60 2qal n GLU 42 Ca -0.01 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 2qal n GLU 42 Cb 0.17 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2qal n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qal n GLY 43 N 1.40 0.70 0.01 0.62 0.00 -0.22 -4.98 105.19 102.73 2qal n GLY 43 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.56 2qal n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qal n PHE 44 N -1.74 0.00 -4.20 1.61 3.72 0.38 -5.00 117.46 112.23 2qal n PHE 44 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 2qal n PHE 44 Cb 0.50 -0.25 -0.15 0.00 -0.94 0.00 0.00 39.48 38.64 2qal n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qal s ILE 45 N -2.47 0.48 0.11 4.37 -4.36 -1.05 -4.01 121.20 114.27 2qal s ILE 45 Ca -0.03 -0.23 -0.32 0.00 -0.26 0.00 0.00 60.65 59.80 2qal s ILE 45 Cb 0.04 -0.43 -0.13 0.00 1.25 0.00 0.00 42.46 43.20 2qal s ILE 45 CO 0.34 0.15 1.53 -0.33 0.24 0.00 0.00 174.94 176.87 2qal h GLU 46 N 6.21 -0.57 0.00 0.37 4.39 -1.68 -3.41 114.58 119.89 2qal h GLU 46 Ca -0.31 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2qal h GLU 46 Cb 1.18 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2qal h GLU 46 CO 0.50 -0.38 0.00 -3.47 -1.16 0.00 0.00 179.01 174.50 2qal n ASP 47 N -5.30 0.00 -3.64 1.42 2.03 -1.25 -5.01 116.55 104.79 2qal n ASP 47 Ca -0.06 -0.13 -0.06 0.00 0.52 0.00 0.00 54.79 55.06 2qal n ASP 47 Cb 0.37 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 2qal n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qal s PHE 48 N -3.77 -0.25 0.23 -0.67 -0.71 -1.26 -2.58 117.98 108.97 2qal s PHE 48 Ca 0.00 0.60 0.03 0.00 -1.04 0.00 0.00 56.93 56.53 2qal s PHE 48 Cb 0.00 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2qal s PHE 48 CO 0.00 -0.12 0.00 0.21 -1.34 0.00 0.00 175.22 173.97 2qal s LYS 49 N 0.15 1.34 -0.36 1.99 2.47 0.12 -4.95 119.74 120.49 2qal s LYS 49 Ca 0.05 -1.68 0.01 0.00 -1.56 0.00 0.00 55.97 52.79 2qal s LYS 49 Cb -0.05 -0.60 0.11 0.00 -1.46 0.00 0.00 37.83 35.83 2qal s LYS 49 CO -0.11 -0.11 0.15 0.54 0.16 0.00 0.00 175.35 175.98 2qal s VAL 50 N -3.43 1.15 0.94 4.02 0.11 -1.26 0.17 120.40 122.09 2qal s VAL 50 Ca 0.29 -1.92 -0.15 0.00 -2.93 0.00 0.00 61.98 57.27 2qal s VAL 50 Cb 0.06 -1.84 0.19 0.00 -1.53 0.00 0.00 36.38 33.26 2qal s VAL 50 CO 0.09 -0.77 1.29 -0.70 -3.33 0.00 0.00 175.10 171.68 2qal s GLU 51 N 1.07 0.80 0.06 1.54 2.12 -1.25 -4.75 118.70 118.29 2qal s GLU 51 Ca 0.13 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2qal s GLU 51 Cb -0.20 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2qal s GLU 51 CO -0.13 -2.29 0.00 0.41 -0.54 0.00 0.00 175.26 172.70 2qal n GLY 52 N -3.68 -2.82 0.69 -1.50 0.00 -1.26 -0.31 105.19 96.32 2qal n GLY 52 Ca 0.15 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 2qal n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qal n ASP 53 N -1.92 0.42 0.10 1.61 8.00 -1.26 -4.64 116.55 118.86 2qal n ASP 53 Ca -0.00 0.06 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 2qal n ASP 53 Cb 0.06 -0.26 0.01 0.00 -0.02 0.00 0.00 41.12 40.92 2qal n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qal h THR 54 N -0.10 1.47 -3.65 -3.53 1.03 -2.04 -3.39 112.91 102.70 2qal h THR 54 Ca 0.00 -2.77 -0.66 0.00 -0.01 0.00 0.00 66.41 62.98 2qal h THR 54 Cb 0.10 2.53 -0.40 0.00 -1.07 0.00 0.00 68.15 69.31 2qal h THR 54 CO 0.00 0.77 -0.71 -0.54 -0.01 0.00 0.00 175.52 175.03 2qal s LYS 55 N -3.06 1.54 0.15 0.00 -0.14 -1.26 -5.10 119.74 111.87 2qal s LYS 55 Ca 0.01 -1.98 -0.31 0.00 -1.36 0.00 0.00 55.97 52.33 2qal s LYS 55 Cb 0.11 -3.22 -0.09 0.00 -1.68 0.00 0.00 37.83 32.94 2qal s LYS 55 CO 0.78 -0.96 1.46 -1.25 -0.76 0.00 0.00 175.35 174.62 2qal s PRO 56 N 0.74 4.28 0.20 -1.68 0.04 -1.26 -4.27 135.00 133.05 2qal s PRO 56 Ca 0.12 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.38 2qal s PRO 56 Cb -0.20 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.16 2qal s PRO 56 CO -0.07 -0.50 0.13 -1.91 0.04 0.00 0.00 177.00 174.69 2qal n GLU 57 N 3.78 1.25 -3.17 4.56 4.07 0.58 -2.56 120.64 129.15 2qal n GLU 57 Ca 0.12 -1.30 -0.03 0.00 -0.06 0.00 0.00 57.16 55.88 2qal n GLU 57 Cb 0.41 0.18 -0.02 0.00 -0.06 0.00 0.00 31.44 31.95 2qal n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2qal s LEU 58 N 0.00 -1.21 -1.10 4.31 0.20 -0.32 -3.70 118.68 116.86 2qal s LEU 58 Ca 0.10 -1.12 -0.23 0.00 0.69 0.00 0.00 54.13 53.56 2qal s LEU 58 Cb -0.01 1.67 -0.09 0.00 -0.43 0.00 0.00 46.19 47.34 2qal s LEU 58 CO 0.06 -0.17 1.96 -1.61 -0.29 0.00 0.00 176.35 176.30 2qal s GLU 59 N 1.58 2.41 -0.43 1.98 2.02 0.46 -3.68 118.70 123.04 2qal s GLU 59 Ca 0.19 -0.87 -0.20 0.00 0.02 0.00 0.00 54.97 54.11 2qal s GLU 59 Cb -0.05 -5.17 0.02 0.00 0.10 0.00 0.00 34.13 29.03 2qal s GLU 59 CO -0.06 -3.93 0.60 -1.17 0.02 0.00 0.00 175.26 170.72 2qal s LEU 60 N 11.22 4.56 -0.08 1.80 2.96 -0.04 0.13 118.68 139.22 2qal s LEU 60 Ca 0.70 -0.39 -0.24 0.00 -0.22 0.00 0.00 54.13 53.97 2qal s LEU 60 Cb -0.03 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2qal s LEU 60 CO 0.10 -0.74 0.76 0.42 -1.32 0.00 0.00 176.35 175.57 2qal s THR 61 N 2.69 4.99 0.61 3.68 -4.23 -1.07 -0.07 115.64 122.24 2qal s THR 61 Ca 0.21 1.55 -0.10 0.00 -1.18 0.00 0.00 61.69 62.17 2qal s THR 61 Cb -0.15 -4.09 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 2qal s THR 61 CO 0.18 0.19 0.99 -0.76 -0.54 0.00 0.00 174.62 174.68 2qal s LEU 62 N 1.15 3.23 -0.03 4.79 1.02 -1.16 -2.74 118.68 124.93 2qal s LEU 62 Ca 0.39 1.22 0.05 0.00 0.02 0.00 0.00 54.13 55.81 2qal s LEU 62 Cb -0.18 -4.18 -0.01 0.00 0.02 0.00 0.00 46.19 41.84 2qal s LEU 62 CO 0.18 -0.94 -0.19 -0.75 0.02 0.00 0.00 176.35 174.67 2qal s LYS 63 N -5.13 1.78 -0.11 1.70 2.20 -1.26 -4.20 119.74 114.72 2qal s LYS 63 Ca 0.54 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2qal s LYS 63 Cb -0.11 -1.61 0.03 0.00 -1.51 0.00 0.00 37.83 34.63 2qal s LYS 63 CO 0.51 0.34 -0.03 0.71 -0.36 0.00 0.00 175.35 176.52 2qal s TYR 64 N -0.21 1.19 0.00 4.03 1.51 -1.26 -2.42 117.35 120.19 2qal s TYR 64 Ca 0.01 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2qal s TYR 64 Cb -0.10 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 2qal s TYR 64 CO 0.01 -0.48 0.00 0.34 -1.11 0.00 0.00 175.55 174.31 2qal n PHE 65 N 5.01 0.00 -0.02 2.71 7.35 -1.14 -4.90 117.46 126.48 2qal n PHE 65 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2qal n PHE 65 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2qal n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qal n GLN 66 N 0.00 3.77 0.00 -4.13 6.02 -1.26 -4.75 117.38 117.02 2qal n GLN 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qal n GLN 66 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2qal n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qal n GLY 67 N 5.00 1.05 3.35 1.08 0.00 -1.26 -4.71 105.19 109.71 2qal n GLY 67 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2qal n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qal s LYS 68 N -0.63 1.74 0.12 1.61 2.47 -1.26 -5.16 119.74 118.62 2qal s LYS 68 Ca 0.00 -2.02 0.02 0.00 -1.56 0.00 0.00 55.97 52.41 2qal s LYS 68 Cb 0.00 -0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.31 2qal s LYS 68 CO 0.00 -0.55 0.25 0.00 0.16 0.00 0.00 175.35 175.21 2qal s ALA 69 N -3.46 3.97 -0.02 3.13 0.00 -1.26 -2.87 121.76 121.25 2qal s ALA 69 Ca 0.35 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2qal s ALA 69 Cb 0.03 -1.79 -0.20 0.00 0.00 0.00 0.00 23.12 21.16 2qal s ALA 69 CO 0.21 0.65 1.27 0.28 0.00 0.00 0.00 175.76 178.17 2qal h VAL 70 N 1.81 1.38 -0.80 0.00 2.07 -1.81 -3.39 116.25 115.51 2qal h VAL 70 Ca -0.47 -1.12 -0.45 0.00 0.82 0.00 0.00 66.70 65.48 2qal h VAL 70 Cb 1.18 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 2qal h VAL 70 CO 0.71 0.29 1.25 -0.69 0.02 0.00 0.00 177.57 179.15 2qal s VAL 71 N -4.29 3.71 -0.64 2.57 1.01 -1.26 -4.73 120.40 116.77 2qal s VAL 71 Ca -0.16 -0.83 0.26 0.00 0.00 0.00 0.00 61.98 61.25 2qal s VAL 71 Cb 0.02 -4.60 0.29 0.00 0.00 0.00 0.00 36.38 32.08 2qal s VAL 71 CO 0.67 -1.40 1.76 1.05 0.00 0.00 0.00 175.10 177.18 2qal h GLU 72 N 9.98 0.00 -1.44 2.72 9.09 -1.76 -3.45 114.58 129.72 2qal h GLU 72 Ca 0.20 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.74 2qal h GLU 72 Cb 0.97 0.00 -0.27 0.00 -1.65 0.00 0.00 28.75 27.80 2qal h GLU 72 CO 1.31 0.00 0.37 0.45 0.05 0.00 0.00 179.01 181.19 2qal s SER 73 N -4.63 -0.51 -0.25 3.06 0.15 -1.26 -5.09 113.70 105.17 2qal s SER 73 Ca 0.09 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 2qal s SER 73 Cb 0.11 1.28 0.14 0.00 -1.71 0.00 0.00 66.02 65.83 2qal s SER 73 CO 0.56 -0.12 0.39 -0.51 1.20 0.00 0.00 173.24 174.76 2qal s ILE 74 N 1.51 -0.62 0.13 6.45 2.07 -1.26 -2.26 121.20 127.21 2qal s ILE 74 Ca -0.08 -0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.15 2qal s ILE 74 Cb -0.04 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 2qal s ILE 74 CO -0.15 -0.13 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.45 2qal s GLN 75 N 2.56 1.18 0.54 3.50 1.11 -1.26 -4.84 119.66 122.45 2qal s GLN 75 Ca 0.13 -1.26 -0.17 0.00 0.01 0.00 0.00 55.36 54.07 2qal s GLN 75 Cb -0.15 -1.35 -0.06 0.00 -1.01 0.00 0.00 33.01 30.44 2qal s GLN 75 CO -0.17 0.30 1.02 0.50 0.01 0.00 0.00 175.29 176.94 2qal s ARG 76 N -2.29 3.70 0.00 2.91 3.52 -1.26 -1.46 118.95 124.06 2qal s ARG 76 Ca 0.10 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 2qal s ARG 76 Cb -0.08 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2qal s ARG 76 CO 0.05 -0.49 0.00 0.28 -0.81 0.00 0.00 175.30 174.33 2qal n VAL 77 N -1.66 0.00 -1.83 7.11 0.31 -1.10 -4.84 118.33 116.32 2qal n VAL 77 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 2qal n VAL 77 Cb 0.53 -0.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.87 2qal n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qal n SER 78 N -1.64 3.76 -4.92 4.52 2.88 -1.26 -4.90 113.62 112.06 2qal n SER 78 Ca 0.00 -2.81 -0.27 0.00 -1.33 0.00 0.00 58.87 54.46 2qal n SER 78 Cb 0.00 -1.57 0.07 0.00 -0.75 0.00 0.00 64.21 61.96 2qal n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qal s ARG 79 N 4.09 2.24 1.21 -1.46 1.70 -1.24 -4.76 118.95 120.73 2qal s ARG 79 Ca 0.53 -0.10 -0.18 0.00 -0.47 0.00 0.00 55.73 55.51 2qal s ARG 79 Cb 0.11 -2.11 0.29 0.00 -0.57 0.00 0.00 34.95 32.66 2qal s ARG 79 CO 0.01 -1.27 1.05 -1.25 -1.08 0.00 0.00 175.30 172.76 2qal s PRO 80 N -5.32 -1.30 -0.12 3.89 0.04 -1.26 -3.12 135.00 127.82 2qal s PRO 80 Ca 0.60 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2qal s PRO 80 Cb -0.11 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2qal s PRO 80 CO 0.46 -3.82 0.00 0.41 0.04 0.00 0.00 177.00 174.09 2qal n GLY 81 N -0.16 0.11 2.65 0.56 0.00 -1.26 -4.60 105.19 102.50 2qal n GLY 81 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2qal n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qal n LEU 82 N -0.15 -1.05 -4.82 0.99 -0.00 -1.18 -5.17 117.00 105.62 2qal n LEU 82 Ca -0.01 -0.97 -0.31 0.00 -0.00 0.00 0.00 56.01 54.71 2qal n LEU 82 Cb 0.38 0.51 0.04 0.00 -0.00 0.00 0.00 43.42 44.34 2qal n LEU 82 CO 0.02 1.23 0.71 -0.13 -0.00 0.00 0.00 177.39 179.22 2qal s ARG 83 N 0.57 3.07 -0.04 1.96 1.81 -1.19 -3.58 118.95 121.54 2qal s ARG 83 Ca 0.23 0.97 -0.02 0.00 -1.72 0.00 0.00 55.73 55.19 2qal s ARG 83 Cb 0.18 -2.01 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 2qal s ARG 83 CO -0.09 -1.00 0.07 0.42 -0.68 0.00 0.00 175.30 174.02 2qal s ILE 84 N -2.97 -0.12 -0.05 1.52 1.01 -1.26 -4.97 121.20 114.35 2qal s ILE 84 Ca 0.58 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.69 2qal s ILE 84 Cb -0.14 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 2qal s ILE 84 CO 0.52 0.17 -0.18 -0.31 0.00 0.00 0.00 174.94 175.14 2qal s TYR 85 N 2.15 1.85 0.47 3.97 1.51 -1.26 -3.06 117.35 122.98 2qal s TYR 85 Ca 0.04 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2qal s TYR 85 Cb -0.12 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2qal s TYR 85 CO -0.03 -0.21 0.08 0.15 -1.11 0.00 0.00 175.55 174.43 2qal s LYS 86 N 0.11 2.14 0.29 -0.62 -0.14 -0.72 -5.03 119.74 115.78 2qal s LYS 86 Ca -0.06 -2.17 0.09 0.00 -1.36 0.00 0.00 55.97 52.47 2qal s LYS 86 Cb -0.13 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.27 2qal s LYS 86 CO 0.03 -0.25 0.06 1.03 -0.76 0.00 0.00 175.35 175.46 2qal s ARG 87 N -3.88 2.38 0.34 1.68 0.52 -1.26 -3.34 118.95 115.39 2qal s ARG 87 Ca 0.24 -1.42 0.14 0.00 -0.52 0.00 0.00 55.73 54.17 2qal s ARG 87 Cb 0.04 -2.20 1.10 0.00 0.52 0.00 0.00 34.95 34.41 2qal s ARG 87 CO 0.13 0.29 1.63 1.57 0.02 0.00 0.00 175.30 178.94 2qal h LYS 88 N 1.74 0.18 -1.59 3.54 2.10 -1.88 0.90 116.57 121.56 2qal h LYS 88 Ca -0.44 -0.01 -0.73 0.00 -2.00 0.00 0.00 60.65 57.46 2qal h LYS 88 Cb 1.25 -0.04 -0.28 0.00 -0.90 0.00 0.00 32.23 32.26 2qal h LYS 88 CO 0.61 0.12 0.96 -0.40 -2.00 0.00 0.00 179.45 178.74 2qal n ASP 89 N -5.17 7.56 0.00 7.07 3.85 -1.26 -4.20 116.55 124.39 2qal n ASP 89 Ca 0.32 -3.82 0.00 0.00 -0.71 0.00 0.00 54.79 50.58 2qal n ASP 89 Cb 1.03 -1.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 2qal n ASP 89 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2qal n GLU 90 N -0.69 0.01 -1.48 0.11 4.07 0.31 -5.11 120.64 117.86 2qal n GLU 90 Ca 0.57 0.00 -0.58 0.00 -0.06 0.00 0.00 57.16 57.09 2qal n GLU 90 Cb 0.41 -0.32 -0.08 0.00 -0.06 0.00 0.00 31.44 31.39 2qal n GLU 90 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qal n LEU 91 N -0.50 0.59 -4.76 4.31 4.77 -0.88 -4.82 117.00 115.70 2qal n LEU 91 Ca 0.00 1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 56.69 2qal n LEU 91 Cb 0.00 -0.82 0.02 0.00 -2.33 0.00 0.00 43.42 40.29 2qal n LEU 91 CO 0.00 -1.21 0.83 -2.16 -1.33 0.00 0.00 177.39 173.52 2qal s PRO 92 N 1.46 3.20 -0.62 3.23 0.04 -1.26 -5.00 135.00 136.05 2qal s PRO 92 Ca 0.89 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2qal s PRO 92 Cb -1.26 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 31.40 2qal s PRO 92 CO 0.64 -1.01 0.52 0.21 0.04 0.00 0.00 177.00 177.39 2qal s LYS 93 N -3.21 2.91 0.21 4.56 2.20 -1.26 -4.82 119.74 120.33 2qal s LYS 93 Ca 0.74 -2.14 -0.32 0.00 -0.36 0.00 0.00 55.97 53.89 2qal s LYS 93 Cb -0.29 -4.09 -0.12 0.00 -1.51 0.00 0.00 37.83 31.82 2qal s LYS 93 CO 0.32 -1.24 1.67 0.28 -0.36 0.00 0.00 175.35 176.03 2qal n VAL 94 N 4.35 0.16 -4.20 4.02 0.31 -1.26 -3.08 118.33 118.63 2qal n VAL 94 Ca 0.01 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 2qal n VAL 94 Cb 0.42 -1.89 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 2qal n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qal n MET 95 N 3.58 -1.47 -0.75 5.55 0.00 -1.26 -0.05 117.12 122.71 2qal n MET 95 Ca 0.15 0.17 -0.02 0.00 -0.00 0.00 0.00 57.70 58.00 2qal n MET 95 Cb 0.34 -3.75 -0.01 0.00 0.00 0.00 0.00 33.22 29.80 2qal n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qal n ALA 96 N -4.57 -0.04 0.00 -5.12 0.00 -1.18 -0.71 120.51 108.90 2qal n ALA 96 Ca -0.31 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2qal n ALA 96 Cb 0.69 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2qal n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 97 N 0.47 0.72 0.00 0.00 0.00 0.92 -4.93 105.19 102.38 2qal n GLY 97 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2qal n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qal n LEU 98 N 0.00 0.00 0.00 0.99 4.77 0.11 -4.74 117.00 118.14 2qal n LEU 98 Ca 0.00 0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 2qal n LEU 98 Cb 0.00 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2qal n LEU 98 CO 0.00 -0.14 -0.22 0.61 -1.33 0.00 0.00 177.39 176.30 2qal n GLY 99 N -0.01 3.57 3.15 -0.72 0.00 -0.90 -4.92 105.19 105.36 2qal n GLY 99 Ca 0.07 -2.35 -0.12 0.00 0.00 0.00 0.00 46.02 43.62 2qal n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qal s ILE 100 N -2.77 0.73 -0.27 -0.61 -5.25 0.14 -4.57 121.20 108.61 2qal s ILE 100 Ca 0.01 -1.65 -0.01 0.00 -0.99 0.00 0.00 60.65 58.02 2qal s ILE 100 Cb 0.00 -1.33 0.08 0.00 2.95 0.00 0.00 42.46 44.16 2qal s ILE 100 CO 0.01 -0.67 0.06 0.00 -1.79 0.00 0.00 174.94 172.55 2qal s ALA 101 N -2.75 1.49 -0.15 2.27 0.00 -1.26 -1.72 121.76 119.64 2qal s ALA 101 Ca 0.05 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2qal s ALA 101 Cb -0.01 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2qal s ALA 101 CO -0.02 -1.45 1.71 0.08 0.00 0.00 0.00 175.76 176.07 2qal s VAL 102 N 1.63 3.55 -0.10 0.00 1.01 -1.09 -1.02 120.40 124.37 2qal s VAL 102 Ca 0.04 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2qal s VAL 102 Cb -0.17 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2qal s VAL 102 CO -0.17 -0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 173.93 2qal s VAL 103 N 5.07 1.39 -0.34 2.92 1.01 -0.79 -0.39 120.40 129.27 2qal s VAL 103 Ca 0.76 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2qal s VAL 103 Cb -0.30 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2qal s VAL 103 CO 0.31 0.42 1.17 -0.55 0.00 0.00 0.00 175.10 176.45 2qal s SER 104 N 1.06 6.78 0.36 3.32 0.15 0.12 -2.83 113.70 122.67 2qal s SER 104 Ca -0.06 1.02 0.08 0.00 0.70 0.00 0.00 55.95 57.69 2qal s SER 104 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2qal s SER 104 CO -0.02 -1.02 0.29 0.42 1.20 0.00 0.00 173.24 174.11 2qal s THR 105 N 4.07 3.16 -1.55 6.45 -4.23 0.48 -0.61 115.64 123.40 2qal s THR 105 Ca 0.50 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 2qal s THR 105 Cb -0.13 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 70.78 2qal s THR 105 CO 0.21 -0.12 1.09 -0.24 -0.54 0.00 0.00 174.62 175.02 2qal n SER 106 N -1.38 0.00 -0.11 3.99 2.88 -1.26 -0.70 113.62 117.03 2qal n SER 106 Ca -0.00 0.08 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 2qal n SER 106 Cb 0.61 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 2qal n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qal n LYS 107 N -1.23 2.53 0.00 -1.46 4.76 -1.26 -5.10 118.16 116.41 2qal n LYS 107 Ca 0.04 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 2qal n LYS 107 Cb 0.06 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2qal n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qal n GLY 108 N 1.19 1.81 3.43 0.72 0.00 0.12 -5.01 105.19 107.44 2qal n GLY 108 Ca 0.03 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 2qal n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qal s VAL 109 N -1.37 4.56 0.07 1.61 1.01 -1.26 -0.39 120.40 124.62 2qal s VAL 109 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2qal s VAL 109 Cb 0.00 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2qal s VAL 109 CO 0.00 -1.39 0.03 1.15 0.00 0.00 0.00 175.10 174.90 2qal n MET 110 N 7.05 1.54 -3.44 2.72 3.85 -1.13 -4.83 117.12 122.89 2qal n MET 110 Ca 0.02 -0.44 -0.25 0.00 -1.00 0.00 0.00 57.70 56.02 2qal n MET 110 Cb 0.46 0.07 -0.02 0.00 -1.05 0.00 0.00 33.22 32.68 2qal n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qal s THR 111 N -0.63 5.11 0.18 3.17 -4.23 -1.26 -1.89 115.64 116.09 2qal s THR 111 Ca 0.03 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.97 2qal s THR 111 Cb -0.00 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 70.14 2qal s THR 111 CO 0.02 -0.45 1.62 -2.24 -0.54 0.00 0.00 174.62 173.02 2qal h ASP 112 N 1.13 -0.82 -0.16 3.99 2.03 -1.42 -1.92 116.42 119.24 2qal h ASP 112 Ca -0.49 0.18 0.02 0.00 -0.73 0.00 0.00 57.03 56.01 2qal h ASP 112 Cb 1.21 0.43 -0.04 0.00 -0.83 0.00 0.00 39.33 40.10 2qal h ASP 112 CO 0.63 -0.26 -0.33 -0.09 -1.03 0.00 0.00 179.24 178.16 2qal h ARG 113 N -0.14 -0.29 -0.42 4.15 2.43 -1.93 0.73 114.38 118.91 2qal h ARG 113 Ca 0.22 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.49 2qal h ARG 113 Cb 0.48 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 2qal h ARG 113 CO -0.55 -0.19 -0.27 0.00 -1.51 0.00 0.00 179.97 177.45 2qal h ALA 114 N -0.66 -0.04 -0.30 2.80 0.00 -1.89 -0.96 119.26 118.20 2qal h ALA 114 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2qal h ALA 114 Cb 0.38 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2qal h ALA 114 CO -0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 179.25 178.28 2qal h ALA 115 N 0.96 0.25 -0.86 0.00 0.00 -0.96 0.20 119.26 118.86 2qal h ALA 115 Ca 0.19 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2qal h ALA 115 Cb 0.50 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2qal h ALA 115 CO -0.53 -0.42 0.56 -0.09 0.00 0.00 0.00 179.25 178.76 2qal h ARG 116 N 0.07 0.85 -0.05 0.00 2.43 0.01 -1.82 114.38 115.87 2qal h ARG 116 Ca 0.15 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 2qal h ARG 116 Cb 0.20 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2qal h ARG 116 CO -0.26 0.56 -0.60 1.96 -1.51 0.00 0.00 179.97 180.12 2qal h GLN 117 N 0.87 0.49 0.00 0.20 4.20 -0.17 -3.01 115.11 117.69 2qal h GLN 117 Ca 0.39 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qal h GLN 117 Cb 0.36 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2qal h GLN 117 CO -0.16 1.10 0.00 0.00 -0.67 0.00 0.00 178.83 179.11 2qal n ALA 118 N -2.58 1.19 -1.75 3.87 0.00 0.62 -4.83 120.51 117.04 2qal n ALA 118 Ca -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 2qal n ALA 118 Cb 0.66 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 2qal n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 119 N -1.04 0.39 3.18 0.00 0.00 -0.74 -5.04 105.19 101.95 2qal n GLY 119 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 2qal n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qal s LEU 120 N -1.49 2.18 0.54 0.99 2.34 -1.00 -4.83 118.68 117.40 2qal s LEU 120 Ca 0.00 -0.48 0.08 0.00 0.06 0.00 0.00 54.13 53.79 2qal s LEU 120 Cb 0.00 -0.71 0.06 0.00 -0.56 0.00 0.00 46.19 44.97 2qal s LEU 120 CO 0.00 0.07 0.63 -0.83 -1.06 0.00 0.00 176.35 175.15 2qal s GLY 121 N -1.18 1.97 0.00 -3.48 0.00 -1.26 -4.31 107.32 99.06 2qal s GLY 121 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2qal s GLY 121 CO 0.01 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 171.98 2qal n GLY 122 N -2.01 1.92 3.51 0.20 0.00 -1.21 -4.34 105.19 103.26 2qal n GLY 122 Ca 0.09 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2qal n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qal s GLU 123 N 1.48 3.77 1.13 1.61 2.12 0.22 -1.75 118.70 127.28 2qal s GLU 123 Ca 0.00 -0.42 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 2qal s GLU 123 Cb 0.00 -3.33 0.26 0.00 0.26 0.00 0.00 34.13 31.32 2qal s GLU 123 CO 0.00 -0.06 1.05 0.42 -0.54 0.00 0.00 175.26 176.12 2qal s ILE 124 N 1.30 2.03 0.00 -3.70 1.01 -1.17 0.15 121.20 120.83 2qal s ILE 124 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2qal s ILE 124 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.26 2qal s ILE 124 CO 0.04 -0.01 0.00 -0.38 0.00 0.00 0.00 174.94 174.59 2qal n ILE 125 N -4.82 0.00 -3.61 2.92 5.41 0.48 -4.19 119.36 115.55 2qal n ILE 125 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.79 2qal n ILE 125 Cb 0.54 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.46 2qal n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qal n TYR 127 N -0.33 3.56 -2.29 0.00 4.01 -0.53 -2.69 117.16 118.89 2qal n TYR 127 Ca -0.05 -4.19 -0.43 0.00 -0.16 0.00 0.00 57.90 53.07 2qal n TYR 127 Cb 0.61 -0.59 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 2qal n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qal s VAL 128 N -2.22 4.04 -0.25 -0.72 1.01 -0.70 -4.22 120.40 117.35 2qal s VAL 128 Ca 0.36 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2qal s VAL 128 Cb 0.10 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2qal s VAL 128 CO -0.05 -0.11 0.56 0.00 0.00 0.00 0.00 175.10 175.50