#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 n LEU 2 N 0.00 -0.12 -3.65 3.17 7.99 -1.26 -5.04 117.00 118.09 1du2 n LEU 2 Ca 0.00 0.06 -0.08 0.00 -0.01 0.00 0.00 56.01 55.98 1du2 n LEU 2 Cb 0.00 -1.27 -0.07 0.00 -0.11 0.00 0.00 43.42 41.97 1du2 n LEU 2 CO 0.00 -2.99 0.33 -1.59 -1.51 0.00 0.00 177.39 171.63 1du2 s LYS 3 N -4.23 0.69 0.00 3.23 -2.85 -1.26 -5.06 119.74 110.26 1du2 s LYS 3 Ca 0.65 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 1du2 s LYS 3 Cb -0.22 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.71 1du2 s LYS 3 CO 0.64 -0.14 0.00 0.09 0.10 0.00 0.00 175.35 176.03 1du2 n ASN 4 N 4.09 0.00 -1.28 0.03 3.02 -1.26 -5.18 115.26 114.69 1du2 n ASN 4 Ca -0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1du2 n ASN 4 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1du2 n ASN 4 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1du2 n LEU 5 N 0.00 0.00 -2.41 3.41 -0.00 -1.26 -4.77 117.00 111.98 1du2 n LEU 5 Ca 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.01 55.84 1du2 n LEU 5 Cb 0.00 0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 1du2 n LEU 5 CO 0.00 -0.04 -0.56 0.00 -0.00 0.00 0.00 177.39 176.79 1du2 n ALA 6 N -2.76 -3.61 0.06 1.47 0.00 -1.26 -5.00 120.51 109.41 1du2 n ALA 6 Ca -0.01 2.03 0.00 0.00 0.00 0.00 0.00 53.44 55.45 1du2 n ALA 6 Cb 0.06 -3.96 0.00 0.00 0.00 0.00 0.00 19.45 15.56 1du2 n ALA 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1du2 n LYS 7 N 1.40 0.00 0.00 0.00 0.00 -1.26 -5.05 118.16 113.25 1du2 n LYS 7 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.31 57.96 1du2 n LYS 7 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1du2 n LYS 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1du2 n LEU 8 N -2.97 0.00 -3.96 3.14 4.77 -1.26 -4.95 117.00 111.77 1du2 n LEU 8 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1du2 n LEU 8 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1du2 n LEU 8 CO 0.00 0.00 -0.08 0.47 -1.33 0.00 0.00 177.39 176.45 1du2 n ASP 9 N 0.00 -2.17 -0.30 -1.43 8.00 -1.26 -4.84 116.55 114.56 1du2 n ASP 9 Ca 0.00 -0.92 0.03 0.00 0.71 0.00 0.00 54.79 54.61 1du2 n ASP 9 Cb 0.00 -3.37 0.04 0.00 -0.02 0.00 0.00 41.12 37.77 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1du2 n GLN 10 N -4.44 0.51 0.03 -1.24 7.27 -1.26 -4.63 117.38 113.61 1du2 n GLN 10 Ca -0.14 -1.08 -0.12 0.00 0.07 0.00 0.00 57.00 55.72 1du2 n GLN 10 Cb 0.61 -1.14 -0.08 0.00 2.41 0.00 0.00 30.24 32.04 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1du2 h THR 11 N 1.34 1.12 0.00 1.69 2.02 -1.88 -2.37 112.91 114.82 1du2 h THR 11 Ca 0.00 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1du2 h THR 11 Cb 0.35 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1du2 h THR 11 CO 0.00 0.11 -0.03 -0.08 0.37 0.00 0.00 175.52 175.89 1du2 h GLU 12 N -0.21 0.00 -0.35 6.66 4.81 -1.93 -0.87 114.58 122.69 1du2 h GLU 12 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1du2 h GLU 12 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1du2 h GLU 12 CO 0.00 0.03 0.07 1.98 -0.73 0.00 0.00 179.01 180.36 1du2 h MET 13 N 0.00 0.51 0.00 1.92 4.05 -1.70 1.35 114.93 121.06 1du2 h MET 13 Ca -0.00 -0.08 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 1du2 h MET 13 Cb 0.06 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1du2 h MET 13 CO 0.00 0.49 -0.51 0.22 0.23 0.00 0.00 176.91 177.34 1du2 h ASP 14 N 0.50 0.00 0.00 1.39 3.58 -1.03 -3.18 116.42 117.68 1du2 h ASP 14 Ca 0.12 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1du2 h ASP 14 Cb 0.22 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1du2 h ASP 14 CO -0.00 0.50 -0.24 0.11 -2.88 0.00 0.00 179.24 176.73 1du2 h LYS 15 N 0.00 0.00 -1.47 0.28 6.56 -0.87 -3.30 116.57 117.77 1du2 h LYS 15 Ca -0.01 0.00 0.45 0.00 -1.06 0.00 0.00 60.65 60.04 1du2 h LYS 15 Cb 1.39 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.95 1du2 h LYS 15 CO 0.07 0.43 1.00 -0.24 -2.06 0.00 0.00 179.45 178.65 1du2 h VAL 16 N -1.00 0.14 0.10 0.50 3.04 0.16 0.31 116.25 119.51 1du2 h VAL 16 Ca -0.04 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1du2 h VAL 16 Cb 0.55 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1du2 h VAL 16 CO -0.03 0.01 -0.05 -1.13 -1.01 0.00 0.00 177.57 175.36 1du2 h ASN 17 N 0.06 -0.13 -0.95 3.17 -0.00 -1.64 -2.39 115.58 113.71 1du2 h ASN 17 Ca 0.81 0.01 0.21 0.00 -0.00 0.00 0.00 56.30 57.32 1du2 h ASN 17 Cb 2.82 0.03 -0.08 0.00 -0.00 0.00 0.00 38.32 41.10 1du2 h ASN 17 CO -0.25 -0.09 0.61 0.58 -0.00 0.00 0.00 177.43 178.29 1du2 h VAL 18 N -0.14 0.67 0.00 2.57 2.07 -0.93 1.36 116.25 121.86 1du2 h VAL 18 Ca -0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1du2 h VAL 18 Cb 0.11 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1du2 h VAL 18 CO 0.02 0.09 0.13 -0.78 0.02 0.00 0.00 177.57 177.05 1du2 h ASP 19 N 0.51 0.00 1.93 0.57 1.82 -0.22 1.13 116.42 122.16 1du2 h ASP 19 Ca 0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1du2 h ASP 19 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1du2 h ASP 19 CO -0.24 0.00 -0.04 0.25 -1.61 0.00 0.00 179.24 177.60 1du2 h LEU 20 N 0.00 0.00 0.00 2.28 6.46 0.23 -3.40 115.31 120.88 1du2 h LEU 20 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1du2 h LEU 20 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1du2 h LEU 20 CO 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.82 1du2 n ALA 21 N -2.08 0.00 0.00 1.25 0.00 0.39 -5.11 120.51 114.95 1du2 n ALA 21 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1du2 n ALA 21 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.00 0.00 -1.39 0.00 0.00 -1.24 -5.14 120.51 109.74 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 0.00 -1.83 0.00 0.00 0.00 -1.26 -5.02 120.51 112.40 1du2 n ALA 23 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1du2 n ALA 23 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.57 0.00 0.27 0.00 0.00 -1.26 -4.96 105.19 97.67 1du2 n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.30 1.61 0.31 -1.26 -4.01 118.33 114.68 1du2 n VAL 25 Ca 0.00 0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1du2 n VAL 25 Cb 0.00 -0.96 0.03 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.89 0.09 -0.82 3.52 0.00 -1.95 1.32 119.26 120.54 1du2 h ALA 26 Ca 0.00 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.33 1du2 h ALA 26 Cb 0.00 0.89 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 1du2 h ALA 26 CO 0.00 -0.63 -0.11 1.19 0.00 0.00 0.00 179.25 179.70 1du2 n PHE 27 N -5.46 0.40 -3.04 0.00 3.01 -1.26 -2.67 117.46 108.43 1du2 n PHE 27 Ca 0.08 0.99 -0.18 0.00 1.01 0.00 0.00 57.45 59.35 1du2 n PHE 27 Cb 0.38 -1.04 -0.02 0.00 -0.01 0.00 0.00 39.48 38.80 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1du2 n LYS 28 N -5.26 0.81 -0.20 -1.08 4.81 0.13 -4.40 118.16 112.97 1du2 n LYS 28 Ca 0.16 -2.78 -0.09 0.00 -0.87 0.00 0.00 58.31 54.73 1du2 n LYS 28 Cb 0.51 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.22 1du2 n LYS 28 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1du2 h GLU 29 N 3.71 0.98 0.00 1.64 4.39 0.17 -3.42 114.58 122.04 1du2 h GLU 29 Ca 0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1du2 h GLU 29 Cb 0.95 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1du2 h GLU 29 CO 0.41 0.97 0.00 0.54 -1.16 0.00 0.00 179.01 179.77 1du2 n ARG 30 N -4.26 0.00 0.32 2.33 5.12 -1.26 0.60 116.66 119.50 1du2 n ARG 30 Ca 0.02 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.02 1du2 n ARG 30 Cb 0.32 0.00 0.41 0.00 -1.16 0.00 0.00 32.46 32.04 1du2 n ARG 30 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 1du2 h TYR 31 N 0.00 0.00 -4.80 -1.55 -0.00 -1.95 -3.44 116.97 105.22 1du2 h TYR 31 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.55 1du2 h TYR 31 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 36.73 36.87 1du2 h TYR 31 CO 0.00 0.00 -0.60 -1.71 -0.00 0.00 0.00 178.16 175.85 1du2 n ASN 32 N -2.62 -5.48 -4.90 0.10 2.85 0.20 -5.02 115.26 100.40 1du2 n ASN 32 Ca -0.01 -0.50 -0.28 0.00 -0.11 0.00 0.00 54.58 53.67 1du2 n ASN 32 Cb 0.65 -3.99 0.04 0.00 1.24 0.00 0.00 39.78 37.72 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 -3.98 2.88 0.80 1.20 -1.94 -1.26 -5.08 119.30 111.92 1du2 s MET 33 Ca 0.32 0.24 -0.14 0.00 -1.71 0.00 0.00 55.69 54.40 1du2 s MET 33 Cb -0.04 -2.14 0.19 0.00 2.01 0.00 0.00 34.83 34.85 1du2 s MET 33 CO 0.55 -0.88 0.88 -0.35 -0.01 0.00 0.00 175.02 175.21 1du2 n PRO 34 N -2.81 -1.75 -0.38 2.03 -0.04 -1.26 -4.78 135.00 126.01 1du2 n PRO 34 Ca 0.06 -1.39 -0.19 0.00 -0.04 0.00 0.00 63.50 61.94 1du2 n PRO 34 Cb 0.57 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.90 1du2 n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1du2 n VAL 35 N -3.78 0.69 -4.06 0.52 0.31 -1.26 -4.71 118.33 106.04 1du2 n VAL 35 Ca 0.12 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 1du2 n VAL 35 Cb 0.42 -1.82 -0.11 0.00 -0.91 0.00 0.00 33.84 31.42 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1du2 s ILE 36 N 5.12 0.30 -0.17 2.52 1.01 -1.26 -5.07 121.20 123.64 1du2 s ILE 36 Ca 0.29 -1.37 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1du2 s ILE 36 Cb 0.07 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.53 1du2 s ILE 36 CO 0.08 -0.69 -0.21 0.00 0.00 0.00 0.00 174.94 174.12 1du2 n ALA 37 N 0.87 1.83 -0.32 9.38 0.00 -1.26 -4.07 120.51 126.94 1du2 n ALA 37 Ca -0.19 -0.70 0.19 0.00 0.00 0.00 0.00 53.44 52.74 1du2 n ALA 37 Cb 0.58 0.25 0.39 0.00 0.00 0.00 0.00 19.45 20.66 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 -0.52 0.25 -0.10 0.00 4.81 -1.98 1.53 114.58 118.57 1du2 h GLU 38 Ca -0.43 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.62 1du2 h GLU 38 Cb 1.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1du2 h GLU 38 CO -0.23 0.16 -0.63 0.00 -0.73 0.00 0.00 179.01 177.58 1du2 h ALA 39 N 1.83 0.74 -0.95 2.92 0.00 -1.97 -1.04 119.26 120.79 1du2 h ALA 39 Ca 0.65 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1du2 h ALA 39 Cb 1.43 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1du2 h ALA 39 CO -0.64 0.73 0.61 0.28 0.00 0.00 0.00 179.25 180.22 1du2 h VAL 40 N 0.26 1.09 0.06 0.00 2.07 0.19 0.07 116.25 120.00 1du2 h VAL 40 Ca -0.01 -0.38 -0.26 0.00 0.82 0.00 0.00 66.70 66.86 1du2 h VAL 40 Cb 1.17 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1du2 h VAL 40 CO 0.11 0.20 -1.11 -0.33 0.02 0.00 0.00 177.57 176.46 1du2 h GLU 41 N 1.12 0.48 -0.76 1.57 3.07 -0.85 -1.39 114.58 117.83 1du2 h GLU 41 Ca 0.40 -0.61 0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1du2 h GLU 41 Cb 0.12 0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 28.16 1du2 h GLU 41 CO -0.16 1.24 0.43 -0.09 -1.40 0.00 0.00 179.01 179.03 1du2 h ARG 42 N 0.23 0.74 0.00 2.33 9.65 -0.32 -3.33 114.38 123.69 1du2 h ARG 42 Ca -0.13 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1du2 h ARG 42 Cb 1.77 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 1du2 h ARG 42 CO 0.20 0.49 0.00 0.39 2.80 0.00 0.00 179.97 183.85 1du2 n GLU 43 N -4.75 0.00 -3.47 0.20 -0.58 -0.07 -5.00 120.64 106.97 1du2 n GLU 43 Ca 0.11 0.17 -0.01 0.00 -0.42 0.00 0.00 57.16 57.01 1du2 n GLU 43 Cb 0.21 -0.64 -0.04 0.00 -0.57 0.00 0.00 31.44 30.40 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 -0.36 0.54 0.04 3.49 0.74 -0.54 -5.10 119.66 118.47 1du2 s GLN 44 Ca 0.00 1.22 -0.30 0.00 0.05 0.00 0.00 55.36 56.32 1du2 s GLN 44 Cb 0.00 0.64 -0.05 0.00 1.10 0.00 0.00 33.01 34.70 1du2 s GLN 44 CO 0.00 -0.37 1.17 -1.25 -0.55 0.00 0.00 175.29 174.30 1du2 s PRO 45 N 2.84 4.44 0.07 1.67 0.04 -1.14 -4.65 135.00 138.27 1du2 s PRO 45 Ca 0.04 1.72 -0.35 0.00 0.04 0.00 0.00 61.00 62.46 1du2 s PRO 45 Cb -0.13 -3.38 -0.18 0.00 0.04 0.00 0.00 34.50 30.85 1du2 s PRO 45 CO -0.19 -0.25 1.59 1.05 0.04 0.00 0.00 177.00 179.24 1du2 h GLU 46 N 6.86 -1.03 -0.94 4.56 -0.00 -1.81 -2.71 114.58 119.52 1du2 h GLU 46 Ca -0.41 0.07 0.18 0.00 -0.00 0.00 0.00 59.36 59.20 1du2 h GLU 46 Cb 1.21 0.23 -0.17 0.00 -0.00 0.00 0.00 28.75 30.02 1du2 h GLU 46 CO 0.81 -0.68 -0.26 1.12 -0.00 0.00 0.00 179.01 179.99 1du2 h HIS 47 N -1.07 -0.60 -1.72 2.06 2.07 -1.93 2.42 115.15 116.38 1du2 h HIS 47 Ca -0.09 0.09 0.50 0.00 -2.85 0.00 0.00 60.37 58.02 1du2 h HIS 47 Cb 0.86 0.41 -0.07 0.00 2.57 0.00 0.00 27.41 31.18 1du2 h HIS 47 CO -0.10 -0.40 1.28 -0.07 -3.07 0.00 0.00 177.93 175.57 1du2 h LEU 48 N -0.01 0.00 -0.65 6.12 -0.00 -1.85 2.14 115.31 121.05 1du2 h LEU 48 Ca 0.43 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.35 1du2 h LEU 48 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.28 1du2 h LEU 48 CO -0.96 0.00 0.38 0.08 -0.00 0.00 0.00 178.44 177.94 1du2 h ARG 49 N 0.00 0.70 0.00 1.13 0.11 0.41 0.70 114.38 117.43 1du2 h ARG 49 Ca 0.82 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 60.60 1du2 h ARG 49 Cb 3.37 -0.16 -0.05 0.00 1.11 0.00 0.00 29.97 34.25 1du2 h ARG 49 CO -0.01 0.47 -2.21 0.43 0.10 0.00 0.00 179.97 178.75 1du2 n SER 50 N -4.75 0.29 0.18 0.08 7.64 0.58 -2.23 113.62 115.41 1du2 n SER 50 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.97 1du2 n SER 50 Cb 0.13 1.24 0.33 0.00 -1.01 0.00 0.00 64.21 64.89 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1du2 h TRP 51 N 0.00 0.00 0.03 1.43 -0.00 0.27 1.59 115.95 119.27 1du2 h TRP 51 Ca -0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 58.13 1du2 h TRP 51 Cb 1.84 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.95 1du2 h TRP 51 CO 0.00 0.42 -2.25 0.34 -0.00 0.00 0.00 178.44 176.95 1du2 n PHE 52 N -3.99 0.42 1.63 0.49 -0.00 0.24 -4.23 117.46 112.02 1du2 n PHE 52 Ca -0.02 0.11 0.13 0.00 -0.00 0.00 0.00 57.45 57.68 1du2 n PHE 52 Cb 0.45 -1.05 0.61 0.00 -0.00 0.00 0.00 39.48 39.49 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1du2 n ARG 53 N -3.65 1.43 -0.31 -4.13 0.63 -0.95 -4.26 116.66 105.42 1du2 n ARG 53 Ca -0.43 -0.63 0.27 0.00 -0.92 0.00 0.00 57.85 56.14 1du2 n ARG 53 Cb 0.95 -1.45 0.46 0.00 0.45 0.00 0.00 32.46 32.87 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1du2 n GLU 54 N -0.21 -0.03 -0.01 -0.14 0.28 0.54 0.13 120.64 121.20 1du2 n GLU 54 Ca 0.19 0.89 -0.14 0.00 -0.16 0.00 0.00 57.16 57.95 1du2 n GLU 54 Cb 0.25 -1.72 -0.08 0.00 1.43 0.00 0.00 31.44 31.32 1du2 n GLU 54 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1du2 h ARG 55 N 0.00 -0.52 -2.13 3.44 2.43 -1.81 -3.23 114.38 112.55 1du2 h ARG 55 Ca 0.61 0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 59.24 1du2 h ARG 55 Cb 1.89 0.12 -0.41 0.00 -0.42 0.00 0.00 29.97 31.15 1du2 h ARG 55 CO -0.37 -0.35 -0.83 1.28 -1.51 0.00 0.00 179.97 178.19 1du2 n LEU 56 N -5.44 2.55 -0.17 3.80 4.77 0.34 -4.93 117.00 117.93 1du2 n LEU 56 Ca -0.05 -5.24 -0.03 0.00 -0.03 0.00 0.00 56.01 50.66 1du2 n LEU 56 Cb 0.37 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1du2 n LEU 56 CO 0.10 2.17 0.75 0.16 -1.33 0.00 0.00 177.39 179.23 1du2 h ILE 57 N 2.49 0.45 -6.47 -0.08 3.07 -1.33 -3.46 117.51 112.18 1du2 h ILE 57 Ca 0.14 0.00 -0.49 0.00 1.55 0.00 0.00 64.86 66.06 1du2 h ILE 57 Cb 0.73 0.45 0.05 0.00 -0.27 0.00 0.00 36.82 37.77 1du2 h ILE 57 CO 0.68 0.00 -0.96 0.00 -1.05 0.00 0.00 178.15 176.82 1du2 n ALA 58 N -2.92 -2.55 -1.07 0.16 0.00 -1.26 -4.90 120.51 107.97 1du2 n ALA 58 Ca 0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 1du2 n ALA 58 Cb 0.29 -3.55 0.13 0.00 0.00 0.00 0.00 19.45 16.32 1du2 n ALA 58 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1du2 s HIS 59 N -3.51 2.20 0.00 0.00 -3.43 -1.26 -4.99 115.29 104.30 1du2 s HIS 59 Ca 0.46 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 56.21 1du2 s HIS 59 Cb -0.19 -3.15 0.00 0.00 -1.43 0.00 0.00 32.58 27.81 1du2 s HIS 59 CO 0.90 -2.35 0.00 0.54 -2.00 0.00 0.00 174.74 171.83 1du2 n ARG 60 N -3.89 0.00 -3.63 -0.38 1.74 -1.26 -5.19 116.66 104.05 1du2 n ARG 60 Ca 0.09 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1du2 n ARG 60 Cb 0.54 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.97 1du2 n ARG 60 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1du2 s LEU 61 N -0.19 -0.09 -0.10 0.55 2.34 -1.26 -5.05 118.68 114.88 1du2 s LEU 61 Ca 0.00 -0.15 -0.07 0.00 0.06 0.00 0.00 54.13 53.97 1du2 s LEU 61 Cb 0.00 1.49 0.03 0.00 -0.56 0.00 0.00 46.19 47.15 1du2 s LEU 61 CO 0.00 -0.37 0.14 0.00 -1.06 0.00 0.00 176.35 175.05 1du2 n ALA 62 N -0.43 -3.23 -0.33 1.48 0.00 -1.26 -5.06 120.51 111.68 1du2 n ALA 62 Ca -0.07 1.40 0.00 0.00 0.00 0.00 0.00 53.44 54.77 1du2 n ALA 62 Cb 0.62 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1du2 n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1du2 n SER 63 N 1.20 0.00 0.00 0.00 3.41 -1.26 -5.12 113.62 111.85 1du2 n SER 63 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1du2 n SER 63 Cb 0.36 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.09 0.00 0.01 -3.33 0.31 -1.26 -4.94 118.33 107.03 1du2 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1du2 n VAL 64 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1du2 n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1du2 n ASN 65 N 0.00 0.31 -2.47 4.52 4.13 -1.26 -4.75 115.26 115.74 1du2 n ASN 65 Ca 0.00 0.04 -0.25 0.00 1.68 0.00 0.00 54.58 56.05 1du2 n ASN 65 Cb 0.00 -0.09 -0.07 0.00 -1.54 0.00 0.00 39.78 38.08 1du2 n ASN 65 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1du2 n LEU 66 N -3.13 6.37 0.00 3.41 7.94 -1.26 -4.94 117.00 125.38 1du2 n LEU 66 Ca 0.00 -3.97 0.00 0.00 -1.11 0.00 0.00 56.01 50.93 1du2 n LEU 66 Cb 0.35 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1du2 n LEU 66 CO 0.00 1.75 0.00 -1.20 -1.11 0.00 0.00 177.39 176.83 1du2 n SER 67 N 1.20 -0.79 -4.30 1.96 7.64 -1.26 -4.70 113.62 113.37 1du2 n SER 67 Ca 0.49 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.92 1du2 n SER 67 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 1du2 n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1du2 n ARG 68 N -0.79 0.00 -4.10 1.43 0.63 -1.26 -4.98 116.66 107.59 1du2 n ARG 68 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1du2 n ARG 68 Cb 0.00 -0.98 -0.10 0.00 0.45 0.00 0.00 32.46 31.82 1du2 n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1du2 s LEU 69 N 3.39 2.46 1.08 6.15 1.43 -1.26 -5.05 118.68 126.88 1du2 s LEU 69 Ca 0.61 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 1du2 s LEU 69 Cb -0.82 0.10 0.24 0.00 0.03 0.00 0.00 46.19 45.74 1du2 s LEU 69 CO 0.57 -0.52 1.22 -2.16 0.23 0.00 0.00 176.35 175.69 1du2 s PRO 70 N -3.56 -0.28 0.27 1.29 0.04 -1.26 -5.04 135.00 126.46 1du2 s PRO 70 Ca 0.05 -0.24 -0.21 0.00 0.04 0.00 0.00 61.00 60.64 1du2 s PRO 70 Cb 0.05 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.89 1du2 s PRO 70 CO -0.07 -3.05 0.71 -0.47 0.04 0.00 0.00 177.00 174.16 1du2 s TYR 71 N -3.46 -0.21 -0.32 0.56 5.04 -1.26 -5.14 117.35 112.56 1du2 s TYR 71 Ca 0.72 -0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.09 1du2 s TYR 71 Cb -0.07 0.70 0.19 0.00 0.35 0.00 0.00 41.96 43.13 1du2 s TYR 71 CO 0.54 -1.21 0.88 -2.00 -1.34 0.00 0.00 175.55 172.42 1du2 s GLU 72 N -3.90 0.34 -0.07 4.97 2.56 -1.26 -5.06 118.70 116.28 1du2 s GLU 72 Ca 0.10 0.15 -0.19 0.00 0.00 0.00 0.00 54.97 55.03 1du2 s GLU 72 Cb -0.06 0.11 -0.15 0.00 2.00 0.00 0.00 34.13 36.03 1du2 s GLU 72 CO 0.06 -0.58 0.74 -1.00 -0.56 0.00 0.00 175.26 173.91 1du2 h PRO 73 N 7.04 -0.15 -2.44 4.30 0.13 -2.06 -3.50 132.00 135.32 1du2 h PRO 73 Ca -0.04 0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.28 1du2 h PRO 73 Cb 1.19 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1du2 h PRO 73 CO -0.00 0.32 -0.83 1.17 -0.23 0.00 0.00 178.00 178.42 1du2 n LYS 74 N -4.85 -2.41 -0.23 0.86 4.81 -1.26 -5.07 118.16 110.00 1du2 n LYS 74 Ca -0.07 1.95 0.00 0.00 -0.87 0.00 0.00 58.31 59.32 1du2 n LYS 74 Cb 0.26 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.62 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1du2 n LEU 75 N -3.30 -1.38 0.00 3.14 0.00 -1.26 -5.35 117.00 108.84 1du2 n LEU 75 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.09 1du2 n LEU 75 Cb 0.44 -0.24 0.80 0.00 0.00 0.00 0.00 43.42 44.42 1du2 n LEU 75 CO 0.02 0.00 0.98 1.17 0.00 0.00 0.00 177.39 179.56