#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axd n LEU 2 N 0.00 0.00 -4.16 4.03 4.77 -1.26 -4.68 117.00 115.70 2axd n LEU 2 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2axd n LEU 2 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2axd n LEU 2 CO 0.00 0.00 -0.30 -0.54 -1.33 0.00 0.00 177.39 175.22 2axd s LYS 3 N 0.00 0.93 -0.02 3.23 3.01 -1.26 -5.08 119.74 120.55 2axd s LYS 3 Ca 0.00 -1.44 0.21 0.00 -1.01 0.00 0.00 55.97 53.73 2axd s LYS 3 Cb 0.00 0.17 0.36 0.00 -1.01 0.00 0.00 37.83 37.35 2axd s LYS 3 CO 0.00 -0.23 1.15 0.27 0.51 0.00 0.00 175.35 177.04 2axd n ASN 4 N -0.10 0.93 -0.29 2.83 6.94 -1.26 -4.84 115.26 119.47 2axd n ASN 4 Ca -0.06 -2.18 0.07 0.00 -0.02 0.00 0.00 54.58 52.38 2axd n ASN 4 Cb 0.63 -0.31 0.22 0.00 -2.36 0.00 0.00 39.78 37.97 2axd n ASN 4 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 2axd h LEU 5 N 0.83 0.50 0.00 -4.53 8.10 -1.97 -0.12 115.31 118.12 2axd h LEU 5 Ca -0.17 0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2axd h LEU 5 Cb 1.73 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.96 2axd h LEU 5 CO 0.07 0.21 0.00 0.00 -4.11 0.00 0.00 178.44 174.61 2axd n ALA 6 N -2.43 1.69 0.06 0.17 0.00 -1.26 -1.94 120.51 116.80 2axd n ALA 6 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 2axd n ALA 6 Cb 0.43 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 2axd n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2axd h LYS 7 N 0.00 0.05 -2.65 0.00 3.64 -1.40 -3.44 116.57 112.76 2axd h LYS 7 Ca 0.00 -0.09 -0.49 0.00 -1.27 0.00 0.00 60.65 58.80 2axd h LYS 7 Cb 0.00 0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 31.47 2axd h LYS 7 CO 0.00 1.02 -0.75 -0.51 -2.27 0.00 0.00 179.45 176.94 2axd s LEU 8 N -6.76 0.37 -0.30 5.20 1.43 -0.82 -5.09 118.68 112.71 2axd s LEU 8 Ca -0.00 -1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 51.71 2axd s LEU 8 Cb 0.09 -0.16 0.21 0.00 0.03 0.00 0.00 46.19 46.35 2axd s LEU 8 CO 0.83 -0.43 1.43 -1.81 0.23 0.00 0.00 176.35 176.61 2axd s ASP 9 N 2.16 -0.00 0.40 2.29 1.01 -1.26 -5.01 116.67 116.24 2axd s ASP 9 Ca 0.09 0.01 0.14 0.00 0.71 0.00 0.00 52.55 53.50 2axd s ASP 9 Cb -0.16 0.32 0.99 0.00 1.01 0.00 0.00 42.92 45.08 2axd s ASP 9 CO -0.36 -0.00 1.87 1.56 0.21 0.00 0.00 175.17 178.45 2axd h GLN 10 N 3.63 0.49 -0.97 8.23 4.20 -1.99 -0.37 115.11 128.32 2axd h GLN 10 Ca -0.27 -0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.64 2axd h GLN 10 Cb 1.18 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.77 2axd h GLN 10 CO 0.20 0.32 0.63 1.15 -0.67 0.00 0.00 178.83 180.47 2axd h THR 11 N 0.50 0.62 -0.03 -0.54 2.02 -1.99 0.23 112.91 113.73 2axd h THR 11 Ca 0.45 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 2axd h THR 11 Cb 0.97 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2axd h THR 11 CO -0.19 0.08 0.01 -0.33 0.37 0.00 0.00 175.52 175.47 2axd h GLU 12 N 0.44 0.03 -0.78 6.66 5.08 -1.43 -1.31 114.58 123.27 2axd h GLU 12 Ca 0.53 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.87 2axd h GLU 12 Cb 1.29 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2axd h GLU 12 CO -0.24 0.08 0.40 0.52 -1.00 0.00 0.00 179.01 178.77 2axd h MET 13 N -0.02 1.10 -0.65 2.33 2.86 -0.73 -0.77 114.93 119.05 2axd h MET 13 Ca 0.01 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2axd h MET 13 Cb 0.05 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.44 2axd h MET 13 CO -0.00 0.83 0.33 -0.44 1.06 0.00 0.00 176.91 178.68 2axd h ASP 14 N 1.10 0.45 -0.89 1.22 5.19 -0.59 0.37 116.42 123.26 2axd h ASP 14 Ca 0.27 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 2axd h ASP 14 Cb 0.07 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 2axd h ASP 14 CO -0.04 0.28 0.54 0.11 -3.12 0.00 0.00 179.24 177.01 2axd h LYS 15 N 0.59 1.22 -0.15 3.56 1.57 -0.02 -1.01 116.57 122.33 2axd h LYS 15 Ca 0.30 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2axd h LYS 15 Cb 0.26 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2axd h LYS 15 CO -0.22 0.85 -0.31 0.28 -0.57 0.00 0.00 179.45 179.48 2axd h VAL 16 N 1.24 1.27 -0.33 0.50 2.07 0.12 0.12 116.25 121.24 2axd h VAL 16 Ca 0.32 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2axd h VAL 16 Cb -0.05 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2axd h VAL 16 CO -0.06 0.39 0.16 0.78 0.02 0.00 0.00 177.57 178.87 2axd h ASN 17 N 0.25 0.43 -0.93 0.57 -0.26 0.64 -0.75 115.58 115.54 2axd h ASN 17 Ca 0.03 -0.12 0.04 0.00 -0.56 0.00 0.00 56.30 55.70 2axd h ASN 17 Cb 0.68 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.77 2axd h ASN 17 CO 0.05 0.42 0.61 0.58 -1.06 0.00 0.00 177.43 178.03 2axd h VAL 18 N 0.40 1.14 -0.09 2.81 2.07 -0.95 0.55 116.25 122.18 2axd h VAL 18 Ca 0.11 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2axd h VAL 18 Cb 0.11 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2axd h VAL 18 CO -0.02 0.21 0.08 0.44 0.02 0.00 0.00 177.57 178.31 2axd h ASP 19 N 1.14 0.00 0.00 0.57 3.45 0.45 0.87 116.42 122.90 2axd h ASP 19 Ca 0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.82 2axd h ASP 19 Cb 0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2axd h ASP 19 CO -0.12 0.00 -0.22 0.25 -1.57 0.00 0.00 179.24 177.57 2axd h LEU 20 N 0.00 0.00 -0.75 1.55 7.12 -0.34 -3.37 115.31 119.51 2axd h LEU 20 Ca 0.04 -0.13 0.08 0.00 0.13 0.00 0.00 57.88 58.00 2axd h LEU 20 Cb 0.21 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.28 2axd h LEU 20 CO -0.00 0.69 0.41 0.00 -0.13 0.00 0.00 178.44 179.41 2axd h ALA 21 N -0.87 1.05 0.00 1.25 0.00 -0.61 0.13 119.26 120.21 2axd h ALA 21 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2axd h ALA 21 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2axd h ALA 21 CO -0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2axd n ALA 22 N -2.38 1.25 0.08 0.00 0.00 0.27 -1.47 120.51 118.26 2axd n ALA 22 Ca 0.11 0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 2axd n ALA 22 Cb 0.25 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 2axd n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2axd h ALA 23 N 2.10 0.16 -0.63 0.00 0.00 -0.91 -3.30 119.26 116.68 2axd h ALA 23 Ca 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 54.91 53.99 2axd h ALA 23 Cb 0.12 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2axd h ALA 23 CO 0.00 1.03 0.43 0.78 0.00 0.00 0.00 179.25 181.49 2axd h GLY 24 N 1.26 0.46 0.68 0.00 0.00 -1.18 0.14 103.07 104.43 2axd h GLY 24 Ca -0.25 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.03 2axd h GLY 24 CO 0.19 0.06 0.56 -2.08 0.00 0.00 0.00 176.54 175.26 2axd h VAL 25 N 0.29 1.03 0.00 4.60 2.07 -1.63 -0.77 116.25 121.84 2axd h VAL 25 Ca 0.30 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2axd h VAL 25 Cb 0.78 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2axd h VAL 25 CO -0.07 0.18 -0.52 0.00 0.02 0.00 0.00 177.57 177.19 2axd h ALA 26 N 1.43 0.84 0.00 1.67 0.00 -0.90 -2.84 119.26 119.47 2axd h ALA 26 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2axd h ALA 26 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2axd h ALA 26 CO -0.19 0.64 0.00 0.34 0.00 0.00 0.00 179.25 180.04 2axd n PHE 27 N -3.48 0.00 -0.43 0.00 7.35 -0.30 -1.91 117.46 118.70 2axd n PHE 27 Ca 0.00 0.00 0.37 0.00 -0.76 0.00 0.00 57.45 57.06 2axd n PHE 27 Cb 0.63 0.00 0.69 0.00 0.35 0.00 0.00 39.48 41.15 2axd n PHE 27 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2axd h LYS 28 N 0.00 0.09 0.00 -4.13 1.57 -1.49 0.17 116.57 112.79 2axd h LYS 28 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2axd h LYS 28 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2axd h LYS 28 CO 0.00 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 2axd n GLU 29 N -4.34 0.00 -0.79 3.15 4.71 -0.80 -0.40 120.64 122.17 2axd n GLU 29 Ca 0.32 0.33 -0.04 0.00 -0.01 0.00 0.00 57.16 57.76 2axd n GLU 29 Cb 1.37 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 30.50 2axd n GLU 29 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2axd n ARG 30 N -1.50 1.96 0.00 3.49 3.00 0.60 -4.78 116.66 119.43 2axd n ARG 30 Ca 0.02 -3.14 0.04 0.00 -0.01 0.00 0.00 57.85 54.76 2axd n ARG 30 Cb 0.11 -1.83 0.25 0.00 0.00 0.00 0.00 32.46 30.99 2axd n ARG 30 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2axd n TYR 31 N -1.07 0.00 0.25 -1.55 9.36 0.46 -0.64 117.16 123.98 2axd n TYR 31 Ca 0.33 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.70 2axd n TYR 31 Cb 1.05 0.00 0.79 0.00 -0.63 0.00 0.00 39.34 40.54 2axd n TYR 31 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 2axd h ASN 32 N 0.00 0.00 -3.60 2.98 -1.07 -1.86 -3.40 115.58 108.62 2axd h ASN 32 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 55.70 2axd h ASN 32 Cb 0.00 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 36.09 2axd h ASN 32 CO 0.00 0.00 -0.74 -0.32 0.07 0.00 0.00 177.43 176.44 2axd s MET 33 N -3.72 2.18 -0.08 4.14 -2.45 0.19 -5.09 119.30 114.47 2axd s MET 33 Ca -0.02 -0.98 -0.29 0.00 -1.25 0.00 0.00 55.69 53.15 2axd s MET 33 Cb 0.09 -2.32 -0.06 0.00 1.25 0.00 0.00 34.83 33.78 2axd s MET 33 CO 0.31 0.52 1.90 -1.25 1.05 0.00 0.00 175.02 177.56 2axd s PRO 34 N -2.03 3.87 -0.31 4.11 0.04 -1.26 -4.95 135.00 134.47 2axd s PRO 34 Ca 0.20 2.24 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 2axd s PRO 34 Cb -0.11 -4.15 0.13 0.00 0.04 0.00 0.00 34.50 30.40 2axd s PRO 34 CO 0.12 -1.24 0.26 0.54 0.04 0.00 0.00 177.00 176.71 2axd s VAL 35 N 5.34 -0.26 -0.96 -0.36 0.11 -1.26 -5.08 120.40 117.93 2axd s VAL 35 Ca 0.85 -0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 2axd s VAL 35 Cb -0.36 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 33.60 2axd s VAL 35 CO 0.36 -0.59 1.37 -0.63 -3.33 0.00 0.00 175.10 172.27 2axd s ILE 36 N 2.07 4.01 0.39 7.04 1.01 -1.26 -4.80 121.20 129.66 2axd s ILE 36 Ca 0.11 -0.69 0.32 0.00 0.00 0.00 0.00 60.65 60.39 2axd s ILE 36 Cb -0.15 -4.99 0.32 0.00 0.01 0.00 0.00 42.46 37.65 2axd s ILE 36 CO -0.28 -1.86 1.98 0.00 0.00 0.00 0.00 174.94 174.79 2axd h ALA 37 N 9.70 1.10 -0.08 9.38 0.00 -1.89 0.11 119.26 137.58 2axd h ALA 37 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2axd h ALA 37 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2axd h ALA 37 CO 1.36 -0.10 -0.24 1.49 0.00 0.00 0.00 179.25 181.75 2axd h GLU 38 N 0.00 0.31 -0.54 0.00 4.81 -1.98 -3.39 114.58 113.79 2axd h GLU 38 Ca 0.00 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2axd h GLU 38 Cb 0.23 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2axd h GLU 38 CO 0.00 0.84 0.32 0.00 -0.73 0.00 0.00 179.01 179.44 2axd h ALA 39 N 0.47 0.69 -1.02 2.92 0.00 -1.17 -0.14 119.26 121.02 2axd h ALA 39 Ca -0.01 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 55.17 2axd h ALA 39 Cb 0.86 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2axd h ALA 39 CO 0.05 0.04 0.60 -0.39 0.00 0.00 0.00 179.25 179.55 2axd h VAL 40 N 0.64 0.44 0.00 0.00 -1.51 -1.75 0.11 116.25 114.18 2axd h VAL 40 Ca 0.22 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 2axd h VAL 40 Cb 0.02 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.12 2axd h VAL 40 CO -0.10 0.08 -0.17 1.21 -1.23 0.00 0.00 177.57 177.37 2axd n GLU 41 N -4.91 0.09 -0.02 5.19 2.13 -0.07 -0.51 120.64 122.53 2axd n GLU 41 Ca 0.29 0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 2axd n GLU 41 Cb 0.86 -1.59 -0.13 0.00 0.27 0.00 0.00 31.44 30.85 2axd n GLU 41 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2axd h ARG 42 N 0.00 0.18 -0.23 5.31 2.43 -0.81 -3.40 114.38 117.85 2axd h ARG 42 Ca 0.00 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 2axd h ARG 42 Cb 0.58 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2axd h ARG 42 CO 0.00 1.15 0.05 0.93 -1.51 0.00 0.00 179.97 180.58 2axd h GLU 43 N -0.49 0.38 -6.72 0.20 4.39 -0.76 -3.45 114.58 108.14 2axd h GLU 43 Ca -0.28 -0.10 -0.52 0.00 0.34 0.00 0.00 59.36 58.80 2axd h GLU 43 Cb 1.61 -0.05 0.04 0.00 -0.10 0.00 0.00 28.75 30.26 2axd h GLU 43 CO 0.01 0.50 0.67 1.14 -1.16 0.00 0.00 179.01 180.17 2axd s GLN 44 N -5.24 4.36 0.12 2.33 1.03 0.33 -4.88 119.66 117.71 2axd s GLN 44 Ca -0.14 2.13 -0.31 0.00 0.04 0.00 0.00 55.36 57.09 2axd s GLN 44 Cb 0.07 -3.16 -0.11 0.00 0.03 0.00 0.00 33.01 29.85 2axd s GLN 44 CO 0.73 -0.28 1.85 -0.35 -2.54 0.00 0.00 175.29 174.71 2axd n PRO 45 N 2.30 2.81 0.11 9.60 -0.04 -1.26 -4.86 135.00 143.66 2axd n PRO 45 Ca 0.05 1.02 0.16 0.00 -0.04 0.00 0.00 63.50 64.69 2axd n PRO 45 Cb 0.42 -2.93 0.69 0.00 -0.04 0.00 0.00 33.50 31.65 2axd n PRO 45 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2axd h GLU 46 N 8.75 0.00 -0.06 0.54 4.11 -1.91 -1.82 114.58 124.19 2axd h GLU 46 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2axd h GLU 46 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2axd h GLU 46 CO 0.95 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 177.64 2axd n HIS 47 N -4.35 0.00 -2.46 2.06 1.44 -1.26 -2.24 115.22 108.41 2axd n HIS 47 Ca 0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.74 2axd n HIS 47 Cb 0.40 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.52 2axd n HIS 47 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 2axd n LEU 48 N -0.42 0.07 -0.29 2.39 -0.00 -0.68 -4.97 117.00 113.10 2axd n LEU 48 Ca 0.00 -2.45 0.09 0.00 -0.00 0.00 0.00 56.01 53.65 2axd n LEU 48 Cb 0.01 0.12 0.22 0.00 -0.00 0.00 0.00 43.42 43.77 2axd n LEU 48 CO 0.00 1.13 0.84 0.03 -0.00 0.00 0.00 177.39 179.39 2axd h ARG 49 N 1.05 0.10 -0.89 1.47 2.47 -1.54 0.12 114.38 117.17 2axd h ARG 49 Ca -0.35 -0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.56 2axd h ARG 49 Cb 1.51 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 29.70 2axd h ARG 49 CO -0.05 0.07 0.43 0.77 0.56 0.00 0.00 179.97 181.75 2axd h SER 50 N 0.11 0.44 -0.58 7.04 0.02 -1.93 0.75 113.55 119.39 2axd h SER 50 Ca 0.49 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.50 2axd h SER 50 Cb 0.92 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2axd h SER 50 CO -0.72 0.09 0.09 -0.25 -1.14 0.00 0.00 176.83 174.90 2axd h TRP 51 N 0.50 1.03 -0.59 3.45 2.91 -1.18 0.40 115.95 122.47 2axd h TRP 51 Ca 0.53 -0.14 -0.00 0.00 1.13 0.00 0.00 58.89 60.40 2axd h TRP 51 Cb 0.92 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 2axd h TRP 51 CO -0.11 0.90 0.36 0.35 -1.03 0.00 0.00 178.44 178.91 2axd h PHE 52 N 0.87 0.78 -0.37 2.65 3.04 -0.64 -0.40 116.94 122.87 2axd h PHE 52 Ca 0.18 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2axd h PHE 52 Cb 0.42 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 2axd h PHE 52 CO 0.03 0.53 0.17 0.00 -2.02 0.00 0.00 178.31 177.02 2axd h ARG 53 N 0.80 0.55 -0.28 1.11 3.08 -0.64 0.18 114.38 119.18 2axd h ARG 53 Ca 0.21 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.23 2axd h ARG 53 Cb -0.02 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 2axd h ARG 53 CO -0.04 0.50 -0.10 1.49 -1.07 0.00 0.00 179.97 180.75 2axd h GLU 54 N 0.46 -0.05 -0.06 0.04 4.57 -0.61 -1.01 114.58 117.92 2axd h GLU 54 Ca 0.13 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2axd h GLU 54 Cb 0.15 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2axd h GLU 54 CO -0.01 -0.03 -0.29 0.00 -1.18 0.00 0.00 179.01 177.49 2axd h ARG 55 N -0.05 0.12 -0.40 1.92 2.47 -0.84 -2.58 114.38 115.01 2axd h ARG 55 Ca 0.14 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2axd h ARG 55 Cb 0.26 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2axd h ARG 55 CO -0.31 0.41 0.22 -0.07 0.56 0.00 0.00 179.97 180.78 2axd h LEU 56 N 0.11 0.35 0.22 3.04 3.38 0.67 0.37 115.31 123.44 2axd h LEU 56 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2axd h LEU 56 Cb 0.58 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2axd h LEU 56 CO 0.04 0.25 -0.13 0.40 0.09 0.00 0.00 178.44 179.10 2axd h ILE 57 N 0.45 0.73 -0.69 1.22 2.04 -1.10 -0.51 117.51 119.66 2axd h ILE 57 Ca 0.16 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 2axd h ILE 57 Cb 0.03 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2axd h ILE 57 CO -0.09 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.52 2axd h ALA 58 N 0.45 2.05 0.00 1.87 0.00 -1.22 -0.01 119.26 122.40 2axd h ALA 58 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2axd h ALA 58 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2axd h ALA 58 CO 0.03 -0.22 -0.19 0.45 0.00 0.00 0.00 179.25 179.31 2axd h HIS 59 N 0.43 0.00 -0.12 0.00 3.86 0.68 0.16 115.15 120.16 2axd h HIS 59 Ca 0.33 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 2axd h HIS 59 Cb 0.69 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 2axd h HIS 59 CO -0.00 0.19 -0.01 0.00 0.86 0.00 0.00 177.93 178.97 2axd h ARG 60 N 0.00 0.21 -0.61 2.45 3.08 0.58 0.25 114.38 120.34 2axd h ARG 60 Ca -0.00 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.04 2axd h ARG 60 Cb 0.90 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.87 2axd h ARG 60 CO 0.02 0.48 0.29 -0.07 -1.07 0.00 0.00 179.97 179.63 2axd h LEU 61 N -0.08 0.39 -0.68 3.04 3.38 -1.34 -1.60 115.31 118.42 2axd h LEU 61 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2axd h LEU 61 Cb 0.40 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2axd h LEU 61 CO 0.01 0.25 0.35 0.00 0.09 0.00 0.00 178.44 179.14 2axd h ALA 62 N 1.36 0.87 -0.60 1.53 0.00 -0.81 -3.01 119.26 118.60 2axd h ALA 62 Ca 0.29 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2axd h ALA 62 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2axd h ALA 62 CO -0.22 0.41 0.07 0.66 0.00 0.00 0.00 179.25 180.17 2axd h SER 63 N 0.94 0.96 -0.07 0.00 4.64 0.42 0.13 113.55 120.57 2axd h SER 63 Ca 0.24 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2axd h SER 63 Cb 0.07 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2axd h SER 63 CO -0.03 0.97 0.01 -0.37 -0.87 0.00 0.00 176.83 176.54 2axd h VAL 64 N 0.93 1.20 0.00 0.95 -1.51 -1.31 -2.98 116.25 113.54 2axd h VAL 64 Ca 0.18 -0.61 -0.09 0.00 -1.23 0.00 0.00 66.70 64.95 2axd h VAL 64 Cb 0.44 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 2axd h VAL 64 CO 0.01 0.17 -0.43 -0.55 -1.23 0.00 0.00 177.57 175.55 2axd h ASN 65 N -0.12 0.00 -0.03 4.19 7.08 -1.37 -2.51 115.58 122.81 2axd h ASN 65 Ca 0.02 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 53.25 2axd h ASN 65 Cb 0.26 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2axd h ASN 65 CO 0.00 0.43 0.18 0.25 -2.08 0.00 0.00 177.43 176.21 2axd h LEU 66 N 0.00 0.00 -2.26 6.14 6.46 -0.58 -1.49 115.31 123.58 2axd h LEU 66 Ca -0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2axd h LEU 66 Cb 0.92 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 2axd h LEU 66 CO 0.06 0.00 0.24 0.77 -0.62 0.00 0.00 178.44 178.89 2axd h SER 67 N 0.00 0.00 -5.86 1.25 4.64 -1.38 -3.47 113.55 108.74 2axd h SER 67 Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2axd h SER 67 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2axd h SER 67 CO -0.00 0.00 -0.74 -2.11 -0.87 0.00 0.00 176.83 173.11 2axd n ARG 68 N -3.28 -2.04 -1.60 4.77 1.85 -0.56 -4.78 116.66 111.02 2axd n ARG 68 Ca -0.00 1.70 -0.49 0.00 -1.00 0.00 0.00 57.85 58.05 2axd n ARG 68 Cb 0.33 -4.16 -0.05 0.00 -1.05 0.00 0.00 32.46 27.53 2axd n ARG 68 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2axd n LEU 69 N -0.64 1.94 -4.72 2.89 4.77 -1.26 -4.88 117.00 115.11 2axd n LEU 69 Ca -0.00 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.68 2axd n LEU 69 Cb 0.56 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 2axd n LEU 69 CO 0.53 -0.98 0.88 -2.16 -1.33 0.00 0.00 177.39 174.33 2axd s PRO 70 N 0.17 4.46 0.04 3.23 0.04 -1.26 -4.96 135.00 136.71 2axd s PRO 70 Ca 0.78 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.54 2axd s PRO 70 Cb -0.85 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.35 2axd s PRO 70 CO 0.48 -0.20 0.73 0.98 0.04 0.00 0.00 177.00 179.03 2axd n TYR 71 N 3.52 -0.10 -3.48 0.56 9.36 -1.26 -4.88 117.16 120.87 2axd n TYR 71 Ca 0.08 0.29 -0.37 0.00 3.32 0.00 0.00 57.90 61.22 2axd n TYR 71 Cb 0.46 -0.40 0.04 0.00 -0.63 0.00 0.00 39.34 38.81 2axd n TYR 71 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2axd n GLU 72 N -3.43 -1.94 -2.03 2.98 -0.58 -1.26 -4.81 120.64 109.57 2axd n GLU 72 Ca 0.00 1.44 -0.41 0.00 -0.42 0.00 0.00 57.16 57.77 2axd n GLU 72 Cb 0.06 -2.27 -0.02 0.00 -0.57 0.00 0.00 31.44 28.64 2axd n GLU 72 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2axd s PRO 73 N -2.58 4.28 0.48 3.49 0.04 -1.26 -5.03 135.00 134.42 2axd s PRO 73 Ca 0.36 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.74 2axd s PRO 73 Cb -0.04 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2axd s PRO 73 CO 0.87 -0.39 0.19 0.15 0.04 0.00 0.00 177.00 177.87 2axd s LYS 74 N -0.55 2.22 0.00 4.56 3.01 -1.26 -5.05 119.74 122.67 2axd s LYS 74 Ca 0.58 -2.05 0.00 0.00 -1.01 0.00 0.00 55.97 53.49 2axd s LYS 74 Cb -0.41 -1.89 0.00 0.00 -1.01 0.00 0.00 37.83 34.52 2axd s LYS 74 CO 0.44 -0.33 0.00 -0.11 0.51 0.00 0.00 175.35 175.87 2axd n LEU 75 N -1.39 0.00 0.00 3.17 7.94 -1.26 -5.32 117.00 120.14 2axd n LEU 75 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2axd n LEU 75 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 2axd n LEU 75 CO 0.42 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.87