#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 s LEU 2 N 0.00 2.50 -0.07 3.17 1.43 -1.26 -5.04 118.68 119.42 1du2 s LEU 2 Ca 0.00 1.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1du2 s LEU 2 Cb 0.00 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.01 1du2 s LEU 2 CO 0.00 -2.68 -0.20 -1.59 0.23 0.00 0.00 176.35 172.11 1du2 s LYS 3 N -4.82 2.70 -0.11 1.70 0.00 -1.26 -5.11 119.74 112.84 1du2 s LYS 3 Ca 0.64 -0.81 -0.30 0.00 0.00 0.00 0.00 55.97 55.50 1du2 s LYS 3 Cb -0.19 -2.31 0.09 0.00 0.00 0.00 0.00 37.83 35.42 1du2 s LYS 3 CO 0.58 0.42 0.81 -0.80 0.00 0.00 0.00 175.35 176.36 1du2 s ASN 4 N -0.22 -0.54 1.05 0.03 -0.87 -1.26 -5.16 114.94 107.97 1du2 s ASN 4 Ca -0.01 0.63 -0.22 0.00 -1.57 0.00 0.00 52.86 51.69 1du2 s ASN 4 Cb -0.13 0.49 -0.02 0.00 -0.02 0.00 0.00 41.25 41.57 1du2 s ASN 4 CO 0.03 -0.48 -0.63 0.18 -2.57 0.00 0.00 177.10 173.63 1du2 n LEU 5 N 0.94 -2.56 -2.10 0.60 7.99 -1.26 -4.49 117.00 116.11 1du2 n LEU 5 Ca -0.15 -0.09 -0.02 0.00 -0.01 0.00 0.00 56.01 55.74 1du2 n LEU 5 Cb 0.57 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1du2 n LEU 5 CO 0.20 -2.82 0.07 0.00 -1.51 0.00 0.00 177.39 173.33 1du2 n ALA 6 N -4.03 -2.55 0.17 -1.18 0.00 -1.26 -4.94 120.51 106.72 1du2 n ALA 6 Ca -0.00 0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1du2 n ALA 6 Cb 0.65 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 19.16 1du2 n ALA 6 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1du2 h LYS 7 N 0.57 0.00 -4.41 0.00 2.10 -2.07 -3.49 116.57 109.27 1du2 h LYS 7 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1du2 h LYS 7 Cb 0.66 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.90 1du2 h LYS 7 CO 0.10 0.44 -1.15 -0.11 -2.00 0.00 0.00 179.45 176.74 1du2 n LEU 8 N -3.49 -5.12 0.00 7.07 7.94 -1.26 -5.04 117.00 117.10 1du2 n LEU 8 Ca 0.00 1.79 0.00 0.00 -1.11 0.00 0.00 56.01 56.69 1du2 n LEU 8 Cb 0.57 -2.70 0.00 0.00 0.53 0.00 0.00 43.42 41.82 1du2 n LEU 8 CO 0.38 -2.92 0.00 -0.90 -1.11 0.00 0.00 177.39 172.84 1du2 n ASP 9 N 1.29 0.00 0.20 1.96 5.75 -1.26 -4.99 116.55 119.49 1du2 n ASP 9 Ca -0.28 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1du2 n ASP 9 Cb 0.44 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.01 1du2 n ASP 9 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1du2 h GLN 10 N 0.00 0.00 0.14 0.11 3.07 -1.96 -3.18 115.11 113.29 1du2 h GLN 10 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1du2 h GLN 10 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1du2 h GLN 10 CO 0.00 0.00 -0.07 1.15 0.09 0.00 0.00 178.83 180.00 1du2 h THR 11 N 0.00 1.01 -0.23 1.86 2.02 -1.93 -2.90 112.91 112.74 1du2 h THR 11 Ca 0.00 -0.79 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1du2 h THR 11 Cb 0.62 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1du2 h THR 11 CO 0.00 0.18 0.18 -0.08 0.37 0.00 0.00 175.52 176.18 1du2 h GLU 12 N -0.58 0.00 -0.48 6.66 4.81 -1.79 0.39 114.58 123.60 1du2 h GLU 12 Ca -0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1du2 h GLU 12 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1du2 h GLU 12 CO 0.03 0.00 0.32 1.98 -0.73 0.00 0.00 179.01 180.61 1du2 h MET 13 N 0.00 0.61 0.00 1.92 4.05 -1.53 1.76 114.93 121.74 1du2 h MET 13 Ca 0.11 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.35 1du2 h MET 13 Cb 0.48 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1du2 h MET 13 CO -0.00 0.41 -0.90 0.22 0.23 0.00 0.00 176.91 176.86 1du2 h ASP 14 N 0.63 0.00 0.27 1.39 1.82 -0.93 -3.27 116.42 116.33 1du2 h ASP 14 Ca 0.18 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.48 1du2 h ASP 14 Cb -0.04 0.00 0.04 0.00 0.68 0.00 0.00 39.33 40.00 1du2 h ASP 14 CO -0.04 0.59 -1.49 0.11 -1.61 0.00 0.00 179.24 176.80 1du2 h LYS 15 N 0.00 0.54 0.00 0.28 6.56 -0.51 -2.89 116.57 120.55 1du2 h LYS 15 Ca -0.07 -0.92 0.00 0.00 -1.06 0.00 0.00 60.65 58.61 1du2 h LYS 15 Cb 1.51 0.34 0.00 0.00 -0.57 0.00 0.00 32.23 33.51 1du2 h LYS 15 CO 0.07 1.44 0.00 1.55 -2.06 0.00 0.00 179.45 180.44 1du2 n VAL 16 N -3.71 1.03 -0.05 0.50 3.14 0.58 0.18 118.33 120.01 1du2 n VAL 16 Ca -0.17 0.70 -0.03 0.00 -2.96 0.00 0.00 64.34 61.88 1du2 n VAL 16 Cb 1.11 -1.70 -0.01 0.00 -1.06 0.00 0.00 33.84 32.18 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1du2 h ASN 17 N 0.00 0.00 0.00 6.55 -1.24 -1.59 -3.35 115.58 115.95 1du2 h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1du2 h ASN 17 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1du2 h ASN 17 CO 0.00 0.52 0.02 0.58 -1.29 0.00 0.00 177.43 177.26 1du2 h VAL 18 N -0.75 0.00 0.00 2.57 2.07 -1.27 -0.66 116.25 118.21 1du2 h VAL 18 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1du2 h VAL 18 Cb 0.29 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1du2 h VAL 18 CO 0.00 0.00 0.21 -0.78 0.02 0.00 0.00 177.57 177.02 1du2 h ASP 19 N 0.00 0.00 0.00 0.57 1.82 -0.40 0.67 116.42 119.08 1du2 h ASP 19 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1du2 h ASP 19 Cb 0.04 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1du2 h ASP 19 CO 0.00 0.00 -1.78 0.18 -1.61 0.00 0.00 179.24 176.03 1du2 n LEU 20 N -2.69 0.00 0.00 2.28 4.32 -0.26 -4.76 117.00 115.89 1du2 n LEU 20 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1du2 n LEU 20 Cb 0.26 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1du2 n LEU 20 CO 0.13 0.04 0.00 0.00 -1.22 0.00 0.00 177.39 176.35 1du2 n ALA 21 N -2.13 0.00 -3.56 -1.18 0.00 0.23 -4.86 120.51 109.02 1du2 n ALA 21 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1du2 n ALA 21 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 22 N -2.86 0.00 -1.13 0.00 0.00 -1.25 -5.12 120.51 110.15 1du2 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1du2 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 23 N -3.00 0.00 -2.66 0.00 0.00 -1.26 -4.90 120.51 108.69 1du2 n ALA 23 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1du2 n ALA 23 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1du2 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1du2 n GLY 24 N 4.12 -0.74 0.61 0.00 0.00 -1.26 -4.59 105.19 103.34 1du2 n GLY 24 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1du2 n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1du2 n VAL 25 N -0.49 0.00 -0.32 1.61 0.31 -1.26 -3.93 118.33 114.25 1du2 n VAL 25 Ca -0.27 0.07 0.20 0.00 -0.01 0.00 0.00 64.34 64.33 1du2 n VAL 25 Cb 0.65 -0.98 0.40 0.00 -0.91 0.00 0.00 33.84 33.00 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 h ALA 26 N -0.39 1.64 -0.82 3.52 0.00 -1.97 1.49 119.26 122.73 1du2 h ALA 26 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1du2 h ALA 26 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1du2 h ALA 26 CO 0.00 -0.58 0.53 0.74 0.00 0.00 0.00 179.25 179.95 1du2 h PHE 27 N 0.21 0.89 -0.56 0.00 0.04 -1.94 -3.23 116.94 112.34 1du2 h PHE 27 Ca 0.66 0.02 0.23 0.00 2.80 0.00 0.00 57.97 61.69 1du2 h PHE 27 Cb 1.48 -0.29 -0.30 0.00 2.20 0.00 0.00 35.95 39.03 1du2 h PHE 27 CO -0.16 0.45 0.63 0.21 -0.60 0.00 0.00 178.31 178.84 1du2 s LYS 28 N -5.77 0.04 -0.21 1.51 2.47 0.51 -4.58 119.74 113.71 1du2 s LYS 28 Ca -0.10 0.09 -0.06 0.00 -1.56 0.00 0.00 55.97 54.34 1du2 s LYS 28 Cb 0.20 0.04 -0.11 0.00 -1.46 0.00 0.00 37.83 36.50 1du2 s LYS 28 CO 0.78 -0.01 -0.24 -0.85 0.16 0.00 0.00 175.35 175.19 1du2 n GLU 29 N 3.89 0.47 0.00 4.03 0.28 -1.08 -4.18 120.64 124.05 1du2 n GLU 29 Ca -0.11 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1du2 n GLU 29 Cb 0.56 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.11 1du2 n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1du2 n ARG 30 N -3.62 0.00 0.25 3.44 3.00 -1.26 -2.82 116.66 115.64 1du2 n ARG 30 Ca -0.40 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.55 1du2 n ARG 30 Cb 0.83 0.00 0.60 0.00 0.00 0.00 0.00 32.46 33.89 1du2 n ARG 30 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 1du2 h TYR 31 N 0.00 0.00 -5.19 -1.55 -0.00 -1.94 -3.45 116.97 104.85 1du2 h TYR 31 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.53 1du2 h TYR 31 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 36.73 36.89 1du2 h TYR 31 CO 0.00 0.00 -0.67 -1.71 -0.00 0.00 0.00 178.16 175.78 1du2 n ASN 32 N -2.47 -6.32 -4.91 0.10 2.85 -1.13 -5.01 115.26 98.38 1du2 n ASN 32 Ca -0.01 -0.56 -0.28 0.00 -0.11 0.00 0.00 54.58 53.62 1du2 n ASN 32 Cb 0.33 -4.75 0.04 0.00 1.24 0.00 0.00 39.78 36.63 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1du2 s MET 33 N -4.09 2.91 0.87 1.20 -1.94 -1.26 -5.08 119.30 111.91 1du2 s MET 33 Ca 0.36 0.13 -0.15 0.00 -1.71 0.00 0.00 55.69 54.32 1du2 s MET 33 Cb -0.05 -2.20 0.21 0.00 2.01 0.00 0.00 34.83 34.80 1du2 s MET 33 CO 0.67 -0.79 0.96 -0.35 -0.01 0.00 0.00 175.02 175.50 1du2 n PRO 34 N -2.70 -1.86 -0.59 2.03 -0.04 -1.26 -4.78 135.00 125.79 1du2 n PRO 34 Ca 0.05 -1.51 -0.43 0.00 -0.04 0.00 0.00 63.50 61.57 1du2 n PRO 34 Cb 0.57 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.74 1du2 n PRO 34 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1du2 n VAL 35 N -3.91 0.30 -3.88 0.52 0.24 -1.26 -4.71 118.33 105.62 1du2 n VAL 35 Ca 0.13 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 1du2 n VAL 35 Cb 0.46 -2.04 -0.08 0.00 -1.47 0.00 0.00 33.84 30.71 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1du2 s ILE 36 N 6.61 0.13 -0.13 1.34 1.01 -1.26 -5.06 121.20 123.83 1du2 s ILE 36 Ca 0.65 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1du2 s ILE 36 Cb 0.14 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.50 1du2 s ILE 36 CO 0.30 -0.58 -0.12 0.00 0.00 0.00 0.00 174.94 174.55 1du2 n ALA 37 N 0.51 1.72 -0.09 9.38 0.00 -1.26 -4.19 120.51 126.58 1du2 n ALA 37 Ca -0.18 -0.56 -0.06 0.00 0.00 0.00 0.00 53.44 52.64 1du2 n ALA 37 Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1du2 n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1du2 h GLU 38 N -0.00 0.04 0.00 0.00 4.81 -1.97 0.23 114.58 117.68 1du2 h GLU 38 Ca -0.30 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1du2 h GLU 38 Cb 1.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1du2 h GLU 38 CO -0.05 0.03 -0.17 0.00 -0.73 0.00 0.00 179.01 178.09 1du2 h ALA 39 N 1.30 1.24 -0.45 2.92 0.00 -1.96 -0.53 119.26 121.77 1du2 h ALA 39 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1du2 h ALA 39 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1du2 h ALA 39 CO -0.29 0.21 -0.16 0.28 0.00 0.00 0.00 179.25 179.28 1du2 h VAL 40 N 0.00 1.27 -0.05 0.00 2.07 -0.82 -2.29 116.25 116.43 1du2 h VAL 40 Ca -0.00 -1.31 -0.20 0.00 0.82 0.00 0.00 66.70 66.01 1du2 h VAL 40 Cb 0.45 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1du2 h VAL 40 CO 0.02 0.45 -0.81 -0.33 0.02 0.00 0.00 177.57 176.91 1du2 h GLU 41 N 0.74 0.42 -0.67 1.57 5.08 -0.30 -2.14 114.58 119.29 1du2 h GLU 41 Ca 0.11 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1du2 h GLU 41 Cb 0.72 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1du2 h GLU 41 CO 0.06 1.04 0.44 -0.09 -1.00 0.00 0.00 179.01 179.45 1du2 h ARG 42 N 0.27 0.78 0.00 2.33 9.65 -0.97 -3.34 114.38 123.11 1du2 h ARG 42 Ca -0.05 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1du2 h ARG 42 Cb 1.42 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1du2 h ARG 42 CO 0.14 0.52 0.00 0.39 2.80 0.00 0.00 179.97 183.82 1du2 n GLU 43 N -4.46 0.00 -3.13 0.20 -0.58 -0.88 -5.00 120.64 106.80 1du2 n GLU 43 Ca 0.08 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1du2 n GLU 43 Cb 0.12 -0.42 -0.00 0.00 -0.57 0.00 0.00 31.44 30.57 1du2 n GLU 43 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1du2 s GLN 44 N 0.00 0.43 0.07 3.49 -0.44 -0.81 -5.11 119.66 117.29 1du2 s GLN 44 Ca 0.00 0.26 -0.30 0.00 -2.50 0.00 0.00 55.36 52.81 1du2 s GLN 44 Cb 0.00 0.15 -0.06 0.00 -1.64 0.00 0.00 33.01 31.47 1du2 s GLN 44 CO 0.00 -0.76 1.17 -1.25 0.50 0.00 0.00 175.29 174.95 1du2 s PRO 45 N 2.66 4.46 0.20 1.67 0.04 -1.16 -4.86 135.00 138.02 1du2 s PRO 45 Ca 0.17 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.84 1du2 s PRO 45 Cb -0.05 -3.35 0.14 0.00 0.04 0.00 0.00 34.50 31.27 1du2 s PRO 45 CO -0.21 -0.20 1.81 1.49 0.04 0.00 0.00 177.00 179.93 1du2 h GLU 46 N 6.59 1.03 0.00 4.56 4.22 -1.77 -0.06 114.58 129.16 1du2 h GLU 46 Ca -0.42 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1du2 h GLU 46 Cb 1.21 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1du2 h GLU 46 CO 0.79 0.78 0.07 1.12 -2.18 0.00 0.00 179.01 179.59 1du2 h HIS 47 N 1.01 0.00 0.00 0.92 2.07 -1.87 -1.61 115.15 115.67 1du2 h HIS 47 Ca 0.26 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.68 1du2 h HIS 47 Cb 0.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 1du2 h HIS 47 CO 0.00 0.00 -0.71 -0.07 -3.07 0.00 0.00 177.93 174.08 1du2 h LEU 48 N 0.00 0.00 -1.35 6.12 -0.00 -1.39 -2.27 115.31 116.41 1du2 h LEU 48 Ca 0.00 -0.31 0.30 0.00 -0.00 0.00 0.00 57.88 57.87 1du2 h LEU 48 Cb 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.70 1du2 h LEU 48 CO 0.00 1.05 0.70 0.08 -0.00 0.00 0.00 178.44 180.27 1du2 h ARG 49 N -1.00 0.32 0.17 1.13 0.11 -0.72 1.95 114.38 116.35 1du2 h ARG 49 Ca -0.14 -0.02 -0.32 0.00 0.10 0.00 0.00 59.98 59.60 1du2 h ARG 49 Cb 0.83 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.85 1du2 h ARG 49 CO -0.09 0.21 -1.49 1.03 0.10 0.00 0.00 179.97 179.74 1du2 h SER 50 N 0.33 0.57 0.77 0.08 0.87 -1.49 -0.55 113.55 114.15 1du2 h SER 50 Ca 0.65 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1du2 h SER 50 Cb 1.72 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1du2 h SER 50 CO -0.34 1.56 0.00 0.79 -0.53 0.00 0.00 176.83 178.31 1du2 n TRP 51 N -3.57 0.36 -0.10 2.24 5.03 0.16 0.18 117.44 121.74 1du2 n TRP 51 Ca -0.16 0.13 -0.15 0.00 3.03 0.00 0.00 57.50 60.35 1du2 n TRP 51 Cb 1.06 -0.71 -0.14 0.00 -1.03 0.00 0.00 31.31 30.50 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1du2 n PHE 52 N -1.82 0.14 1.04 -5.99 3.01 0.61 -4.33 117.46 110.12 1du2 n PHE 52 Ca 0.04 0.04 0.12 0.00 1.01 0.00 0.00 57.45 58.66 1du2 n PHE 52 Cb 0.25 -1.02 0.11 0.00 -0.01 0.00 0.00 39.48 38.81 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1du2 n ARG 53 N -3.10 2.06 -0.03 -1.08 0.63 -0.22 -4.54 116.66 110.40 1du2 n ARG 53 Ca -0.39 -1.68 -0.08 0.00 -0.92 0.00 0.00 57.85 54.78 1du2 n ARG 53 Cb 1.05 -1.47 -0.05 0.00 0.45 0.00 0.00 32.46 32.45 1du2 n ARG 53 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1du2 h GLU 54 N 4.10 -0.27 0.00 -0.14 -0.00 0.18 -3.39 114.58 115.05 1du2 h GLU 54 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 1du2 h GLU 54 Cb 0.92 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 1du2 h GLU 54 CO 0.00 -0.18 0.00 2.89 -0.00 0.00 0.00 179.01 181.72 1du2 n ARG 55 N -4.07 0.00 -2.70 1.06 1.85 -1.26 0.54 116.66 112.08 1du2 n ARG 55 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.75 1du2 n ARG 55 Cb 0.19 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.66 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1du2 n LEU 56 N 0.00 0.69 -0.08 2.89 7.94 -1.26 -4.22 117.00 122.96 1du2 n LEU 56 Ca 0.00 -3.54 -0.19 0.00 -1.11 0.00 0.00 56.01 51.18 1du2 n LEU 56 Cb 0.00 0.34 -0.13 0.00 0.53 0.00 0.00 43.42 44.17 1du2 n LEU 56 CO 0.00 1.55 -1.15 0.00 -1.11 0.00 0.00 177.39 176.68 1du2 n ILE 57 N -0.31 1.59 -1.06 1.96 3.06 0.19 -5.10 119.36 119.68 1du2 n ILE 57 Ca 0.05 -0.61 0.14 0.00 -2.50 0.00 0.00 62.75 59.83 1du2 n ILE 57 Cb 0.83 -1.49 -0.05 0.00 0.54 0.00 0.00 39.64 39.47 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1du2 n ALA 58 N -3.14 -2.76 -0.87 1.51 0.00 -1.26 -5.02 120.51 108.97 1du2 n ALA 58 Ca -0.40 0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1du2 n ALA 58 Cb 1.02 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1du2 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1du2 n HIS 59 N -3.69 -2.22 -3.63 0.00 -0.00 -1.26 -5.06 115.22 99.36 1du2 n HIS 59 Ca -0.02 1.14 -0.03 0.00 -0.00 0.00 0.00 57.72 58.81 1du2 n HIS 59 Cb 0.49 -2.02 -0.01 0.00 -0.00 0.00 0.00 29.99 28.45 1du2 n HIS 59 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1du2 s ARG 60 N -2.25 0.70 0.01 -0.41 3.03 -1.26 -5.11 118.95 113.67 1du2 s ARG 60 Ca 0.00 -0.34 -0.03 0.00 2.03 0.00 0.00 55.73 57.39 1du2 s ARG 60 Cb 0.00 0.27 -0.01 0.00 -1.03 0.00 0.00 34.95 34.18 1du2 s ARG 60 CO 0.00 -0.32 0.03 -0.51 -1.13 0.00 0.00 175.30 173.38 1du2 s LEU 61 N -2.69 1.96 -0.30 -1.89 1.43 -1.26 -5.12 118.68 110.81 1du2 s LEU 61 Ca 0.11 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1du2 s LEU 61 Cb 0.01 0.29 0.19 0.00 0.03 0.00 0.00 46.19 46.70 1du2 s LEU 61 CO -0.03 -0.28 1.01 0.00 0.23 0.00 0.00 176.35 177.27 1du2 s ALA 62 N -1.23 -3.88 -0.40 4.21 0.00 -1.26 -5.00 121.76 114.20 1du2 s ALA 62 Ca -0.13 1.34 0.07 0.00 0.00 0.00 0.00 51.96 53.24 1du2 s ALA 62 Cb -0.08 -2.79 0.33 0.00 0.00 0.00 0.00 23.12 20.58 1du2 s ALA 62 CO -0.00 -2.03 1.27 -1.13 0.00 0.00 0.00 175.76 173.87 1du2 n SER 63 N 5.16 -1.87 -0.00 0.00 3.41 -1.26 -4.93 113.62 114.13 1du2 n SER 63 Ca 0.08 -2.59 0.08 0.00 -0.26 0.00 0.00 58.87 56.18 1du2 n SER 63 Cb 0.57 1.22 -0.09 0.00 -0.26 0.00 0.00 64.21 65.65 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1du2 n VAL 64 N -0.33 0.00 0.01 -3.33 0.31 -1.22 -4.76 118.33 109.01 1du2 n VAL 64 Ca -0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1du2 n VAL 64 Cb 0.79 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.68 1du2 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1du2 n ASN 65 N -1.41 0.25 -2.04 4.52 2.85 -1.23 -5.04 115.26 113.16 1du2 n ASN 65 Ca 0.03 0.04 -0.05 0.00 -0.11 0.00 0.00 54.58 54.48 1du2 n ASN 65 Cb 0.26 -0.08 0.02 0.00 1.24 0.00 0.00 39.78 41.23 1du2 n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1du2 n LEU 66 N -2.73 -3.14 -4.37 1.20 -0.00 -1.26 -5.00 117.00 101.70 1du2 n LEU 66 Ca 0.00 -0.23 -0.32 0.00 -0.00 0.00 0.00 56.01 55.46 1du2 n LEU 66 Cb 0.00 -1.40 0.17 0.00 -0.00 0.00 0.00 43.42 42.19 1du2 n LEU 66 CO 0.00 0.05 -0.18 -1.20 -0.00 0.00 0.00 177.39 176.05 1du2 n SER 67 N -2.02 -2.04 -3.12 1.96 7.64 -1.26 -5.03 113.62 109.76 1du2 n SER 67 Ca -0.03 0.04 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1du2 n SER 67 Cb 0.54 -1.11 -0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1du2 n SER 67 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1du2 s ARG 68 N -3.71 0.46 -0.38 1.43 6.06 -1.26 -5.10 118.95 116.45 1du2 s ARG 68 Ca 0.59 0.21 0.06 0.00 -2.50 0.00 0.00 55.73 54.09 1du2 s ARG 68 Cb -0.17 0.15 0.17 0.00 0.06 0.00 0.00 34.95 35.15 1du2 s ARG 68 CO 0.66 -0.79 0.51 -1.17 -2.50 0.00 0.00 175.30 172.01 1du2 s LEU 69 N 2.57 -0.93 0.34 -0.88 2.96 -1.26 -5.14 118.68 116.34 1du2 s LEU 69 Ca 0.16 -1.00 -0.27 0.00 -0.22 0.00 0.00 54.13 52.81 1du2 s LEU 69 Cb -0.05 1.37 -0.09 0.00 0.50 0.00 0.00 46.19 47.92 1du2 s LEU 69 CO -0.20 -0.23 1.07 -2.16 -1.32 0.00 0.00 176.35 173.51 1du2 s PRO 70 N 1.80 4.39 0.40 0.98 0.04 -1.26 -5.06 135.00 136.29 1du2 s PRO 70 Ca 0.15 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1du2 s PRO 70 Cb -0.09 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1du2 s PRO 70 CO -0.09 0.03 0.10 1.52 0.04 0.00 0.00 177.00 178.60 1du2 s TYR 71 N -1.42 2.57 -0.06 0.56 1.13 -1.26 -5.14 117.35 113.72 1du2 s TYR 71 Ca 0.51 -0.58 0.01 0.00 -1.41 0.00 0.00 57.07 55.61 1du2 s TYR 71 Cb -0.27 -1.81 0.02 0.00 -1.10 0.00 0.00 41.96 38.80 1du2 s TYR 71 CO 0.34 0.32 -0.07 -2.00 -2.51 0.00 0.00 175.55 171.62 1du2 s GLU 72 N -3.81 1.22 -0.57 -3.49 2.56 -1.26 -5.09 118.70 108.25 1du2 s GLU 72 Ca 0.38 -0.22 -0.28 0.00 0.00 0.00 0.00 54.97 54.85 1du2 s GLU 72 Cb 0.05 -1.14 0.01 0.00 2.00 0.00 0.00 34.13 35.05 1du2 s GLU 72 CO 0.21 -0.07 1.50 -1.25 -0.56 0.00 0.00 175.26 175.08 1du2 s PRO 73 N 0.97 3.18 0.20 4.30 0.04 -1.26 -4.94 135.00 137.49 1du2 s PRO 73 Ca -0.10 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 1du2 s PRO 73 Cb -0.15 -4.18 -0.16 0.00 0.04 0.00 0.00 34.50 30.06 1du2 s PRO 73 CO 0.00 -2.09 0.47 1.17 0.04 0.00 0.00 177.00 176.59 1du2 n LYS 74 N 8.80 0.00 0.00 4.56 3.00 -1.26 -4.93 118.16 128.33 1du2 n LYS 74 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1du2 n LYS 74 Cb 0.49 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.57 1du2 n LYS 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1du2 n LEU 75 N 1.92 0.00 0.00 3.14 4.77 -1.26 -5.35 117.00 120.22 1du2 n LEU 75 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1du2 n LEU 75 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1du2 n LEU 75 CO 0.53 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.76