#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 0.00 -3.98 3.17 4.77 -1.26 -4.77 117.00 114.92 1du2 n LEU 2 Ca 0.00 0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 56.13 1du2 n LEU 2 Cb 0.00 -1.28 -0.17 0.00 -2.33 0.00 0.00 43.42 39.64 1du2 n LEU 2 CO 0.00 -1.04 -0.46 -1.59 -1.33 0.00 0.00 177.39 172.97 1du2 s LYS 3 N -0.88 1.68 -0.77 3.23 -2.85 -1.26 -5.06 119.74 113.84 1du2 s LYS 3 Ca 0.00 -0.37 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 1du2 s LYS 3 Cb 0.00 -1.52 -0.11 0.00 -2.06 0.00 0.00 37.83 34.14 1du2 s LYS 3 CO 0.00 -0.09 2.30 1.21 0.10 0.00 0.00 175.35 178.87 1du2 s ASN 4 N 1.08 4.23 0.50 0.03 2.47 -1.26 -4.65 114.94 117.34 1du2 s ASN 4 Ca -0.06 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1du2 s ASN 4 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1du2 s ASN 4 CO -0.01 -3.50 0.00 0.18 -3.72 0.00 0.00 177.10 170.05 1du2 n LEU 5 N 17.27 -0.90 -0.09 3.21 4.32 -1.26 -4.24 117.00 135.30 1du2 n LEU 5 Ca 0.43 2.07 -0.06 0.00 -0.02 0.00 0.00 56.01 58.43 1du2 n LEU 5 Cb 0.46 -4.76 0.00 0.00 -1.62 0.00 0.00 43.42 37.50 1du2 n LEU 5 CO 0.58 -3.08 0.78 0.00 -1.22 0.00 0.00 177.39 174.46 1du2 h ALA 6 N -1.42 0.19 0.00 -1.18 0.00 -2.06 -3.45 119.26 111.34 1du2 h ALA 6 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1du2 h ALA 6 Cb 1.39 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1du2 h ALA 6 CO 0.05 -0.48 0.00 1.17 0.00 0.00 0.00 179.25 179.99 1du2 n LYS 7 N -5.30 0.00 -2.93 0.00 4.81 -1.26 -5.11 118.16 108.37 1du2 n LYS 7 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1du2 n LYS 7 Cb 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.25 1du2 n LYS 7 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1du2 n LEU 8 N -3.12 -5.58 -2.70 3.14 0.00 -1.26 -4.98 117.00 102.50 1du2 n LEU 8 Ca 0.00 1.11 -0.04 0.00 0.00 0.00 0.00 56.01 57.09 1du2 n LEU 8 Cb 0.00 -2.40 0.11 0.00 0.00 0.00 0.00 43.42 41.12 1du2 n LEU 8 CO 0.00 -2.63 0.43 -0.90 0.00 0.00 0.00 177.39 174.30 1du2 n ASP 9 N 1.37 -0.87 -0.00 1.96 5.75 -1.26 -4.89 116.55 118.61 1du2 n ASP 9 Ca -0.06 -2.30 0.04 0.00 -0.01 0.00 0.00 54.79 52.45 1du2 n ASP 9 Cb 0.28 0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.81 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1du2 n GLN 10 N -1.00 3.09 0.13 0.11 7.27 -1.26 -4.49 117.38 121.22 1du2 n GLN 10 Ca -0.07 -0.02 -0.13 0.00 0.07 0.00 0.00 57.00 56.84 1du2 n GLN 10 Cb 0.85 -0.99 -0.08 0.00 2.41 0.00 0.00 30.24 32.43 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 0.00 0.80 0.00 1.69 2.02 -2.01 -2.78 112.91 112.62 1du2 h THR 11 Ca 0.00 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1du2 h THR 11 Cb 0.26 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1du2 h THR 11 CO 0.00 0.13 -0.00 -0.08 0.37 0.00 0.00 175.52 175.94 1du2 h GLU 12 N -0.67 0.00 -0.39 6.66 4.81 -1.97 -0.65 114.58 122.37 1du2 h GLU 12 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1du2 h GLU 12 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1du2 h GLU 12 CO 0.06 0.00 0.03 1.98 -0.73 0.00 0.00 179.01 180.35 1du2 h MET 13 N 0.00 0.60 0.00 1.92 4.05 -1.72 1.44 114.93 121.22 1du2 h MET 13 Ca -0.00 -0.12 -0.11 0.00 -0.28 0.00 0.00 59.70 59.18 1du2 h MET 13 Cb 0.01 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1du2 h MET 13 CO 0.00 0.60 -0.54 0.22 0.23 0.00 0.00 176.91 177.42 1du2 h ASP 14 N 0.57 0.00 0.32 1.39 3.58 -1.03 -3.07 116.42 118.18 1du2 h ASP 14 Ca 0.12 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.24 1du2 h ASP 14 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1du2 h ASP 14 CO 0.01 0.54 -1.65 0.11 -2.88 0.00 0.00 179.24 175.37 1du2 h LYS 15 N 0.00 0.32 0.00 0.28 6.56 -1.11 -3.24 116.57 119.39 1du2 h LYS 15 Ca -0.01 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.03 1du2 h LYS 15 Cb 1.25 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 1du2 h LYS 15 CO 0.07 1.21 0.00 0.28 -2.06 0.00 0.00 179.45 178.95 1du2 n VAL 16 N -3.52 1.03 -0.01 0.50 0.31 0.49 -0.45 118.33 116.68 1du2 n VAL 16 Ca -0.21 0.67 -0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1du2 n VAL 16 Cb 1.06 -1.66 -0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1du2 h ASN 17 N 0.00 -0.00 0.00 4.52 -0.00 -1.56 -3.31 115.58 115.23 1du2 h ASN 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1du2 h ASN 17 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 1du2 h ASN 17 CO 0.00 0.09 0.03 0.52 -0.00 0.00 0.00 177.43 178.07 1du2 n VAL 18 N -2.55 1.08 -0.23 2.57 0.31 -1.09 -1.47 118.33 116.95 1du2 n VAL 18 Ca -0.00 0.72 0.26 0.00 -0.01 0.00 0.00 64.34 65.31 1du2 n VAL 18 Cb 0.00 -1.72 0.64 0.00 -0.91 0.00 0.00 33.84 31.86 1du2 n VAL 18 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1du2 h ASP 19 N 0.00 0.17 0.80 4.52 3.58 -0.84 1.82 116.42 126.47 1du2 h ASP 19 Ca 0.00 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 1du2 h ASP 19 Cb 0.06 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1du2 h ASP 19 CO 0.00 0.05 -0.39 0.25 -2.88 0.00 0.00 179.24 176.27 1du2 h LEU 20 N 0.16 0.00 0.00 2.28 7.12 -1.44 -3.30 115.31 120.12 1du2 h LEU 20 Ca 0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.48 1du2 h LEU 20 Cb 1.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1du2 h LEU 20 CO -0.09 0.39 0.00 0.00 -0.13 0.00 0.00 178.44 178.61 1du2 n ALA 21 N -2.31 -0.05 0.00 1.25 0.00 0.62 -4.95 120.51 115.07 1du2 n ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 21 Cb 0.51 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.32 0.00 -1.50 0.00 0.00 -1.25 -5.09 120.51 110.36 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 -0.44 -2.80 -2.85 0.00 0.00 -1.26 -5.05 120.51 108.11 1du2 n ALA 23 Ca 0.00 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 1du2 n ALA 23 Cb 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 0.56 1.34 0.99 0.00 0.00 -1.26 -4.93 105.19 101.87 1du2 n GLY 24 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.45 0.64 -0.13 1.61 0.31 -1.26 -4.29 118.33 115.66 1du2 n VAL 25 Ca 0.11 0.21 0.27 0.00 -0.01 0.00 0.00 64.34 64.92 1du2 n VAL 25 Cb 0.68 -1.33 0.60 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.06 2.69 -0.15 3.52 0.00 -1.98 1.27 119.26 124.56 1du2 h ALA 26 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1du2 h ALA 26 Cb 0.02 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1du2 h ALA 26 CO 0.00 -1.34 -0.51 0.27 0.00 0.00 0.00 179.25 177.67 1du2 h PHE 27 N 0.00 0.79 -1.13 0.00 -0.00 -1.95 -2.93 116.94 111.73 1du2 h PHE 27 Ca 0.40 -0.33 0.19 0.00 -0.00 0.00 0.00 57.97 58.24 1du2 h PHE 27 Cb 2.20 -0.13 -0.32 0.00 -0.00 0.00 0.00 35.95 37.70 1du2 h PHE 27 CO 0.00 1.11 0.70 0.21 -0.00 0.00 0.00 178.31 180.33 1du2 s LYS 28 N -3.82 0.10 -0.22 6.09 2.20 0.44 -4.19 119.74 120.33 1du2 s LYS 28 Ca -0.12 0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.60 1du2 s LYS 28 Cb 0.07 0.02 -0.12 0.00 -1.51 0.00 0.00 37.83 36.29 1du2 s LYS 28 CO 0.84 -0.02 -0.25 -0.85 -0.36 0.00 0.00 175.35 174.72 1du2 n GLU 29 N 3.10 0.50 0.00 4.03 -0.00 -1.23 -4.37 120.64 122.67 1du2 n GLU 29 Ca -0.17 0.17 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1du2 n GLU 29 Cb 0.56 -1.36 0.00 0.00 -0.00 0.00 0.00 31.44 30.64 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 30 N -3.61 0.00 0.18 3.44 0.63 -1.26 -3.29 116.66 112.75 1du2 n ARG 30 Ca -0.41 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.64 1du2 n ARG 30 Cb 0.85 0.00 0.64 0.00 0.45 0.00 0.00 32.46 34.40 1du2 n ARG 30 CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 1du2 h TYR 31 N 0.00 0.00 -5.18 -0.14 -0.00 -1.97 -3.46 116.97 106.22 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 -2.37 -6.40 -4.93 0.10 5.15 -1.21 -5.01 115.26 100.58 1du2 n ASN 32 Ca -0.01 -0.51 -0.25 0.00 -0.60 0.00 0.00 54.58 53.21 1du2 n ASN 32 Cb 0.09 -4.76 0.06 0.00 -0.53 0.00 0.00 39.78 34.63 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1du2 s MET 33 N -3.98 2.39 0.76 1.20 -1.94 -1.26 -5.09 119.30 111.38 1du2 s MET 33 Ca 0.32 -0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 53.91 1du2 s MET 33 Cb -0.04 -2.23 0.18 0.00 2.01 0.00 0.00 34.83 34.75 1du2 s MET 33 CO 0.67 -1.06 0.83 -0.35 -0.01 0.00 0.00 175.02 175.10 1du2 n PRO 34 N -2.78 -1.66 -0.43 2.03 -0.04 -1.26 -4.80 135.00 126.06 1du2 n PRO 34 Ca 0.07 -1.31 -0.13 0.00 -0.04 0.00 0.00 63.50 62.10 1du2 n PRO 34 Cb 0.60 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 33.02 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 -3.68 1.40 -4.13 0.52 0.31 -1.26 -4.72 118.33 106.77 1du2 n VAL 35 Ca 0.11 -0.83 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 1du2 n VAL 35 Cb 0.40 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 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 4.03 0.65 -0.15 2.52 1.01 -1.26 -5.06 121.20 122.93 1du2 s ILE 36 Ca 0.23 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1du2 s ILE 36 Cb 0.06 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 41.19 1du2 s ILE 36 CO -0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 174.94 174.12 1du2 n ALA 37 N 0.59 1.69 0.26 9.38 0.00 -1.26 -4.13 120.51 127.04 1du2 n ALA 37 Ca -0.17 -0.65 0.15 0.00 0.00 0.00 0.00 53.44 52.76 1du2 n ALA 37 Cb 0.58 0.16 0.78 0.00 0.00 0.00 0.00 19.45 20.97 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 -0.05 0.00 0.00 0.00 4.57 -1.98 1.17 114.58 118.29 1du2 h GLU 38 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1du2 h GLU 38 Cb 1.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1du2 h GLU 38 CO -0.07 0.00 -1.26 0.00 -1.18 0.00 0.00 179.01 176.50 1du2 n ALA 39 N -1.84 3.82 0.03 2.92 0.00 -1.26 -3.35 120.51 120.83 1du2 n ALA 39 Ca -0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 53.44 52.71 1du2 n ALA 39 Cb 0.20 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 1du2 n ALA 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du2 h VAL 40 N 0.00 1.34 0.01 0.00 2.07 0.12 -2.55 116.25 117.24 1du2 h VAL 40 Ca 0.00 -2.18 -0.26 0.00 0.82 0.00 0.00 66.70 65.08 1du2 h VAL 40 Cb 0.70 2.47 0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1du2 h VAL 40 CO 0.00 0.66 -1.03 -0.33 0.02 0.00 0.00 177.57 176.89 1du2 h GLU 41 N 0.19 0.69 -0.95 1.57 5.08 -1.58 0.88 114.58 120.46 1du2 h GLU 41 Ca -0.11 -0.75 0.05 0.00 -1.00 0.00 0.00 59.36 57.56 1du2 h GLU 41 Cb 1.54 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.95 1du2 h GLU 41 CO 0.17 1.32 0.62 -0.09 -1.00 0.00 0.00 179.01 180.03 1du2 h ARG 42 N 0.36 1.10 0.00 2.33 9.65 -1.63 -3.23 114.38 122.96 1du2 h ARG 42 Ca -0.13 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1du2 h ARG 42 Cb 1.69 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1du2 h ARG 42 CO 0.20 0.73 -0.03 0.93 2.80 0.00 0.00 179.97 184.60 1du2 h GLU 43 N 1.13 0.00 -1.75 0.20 4.39 -1.46 -3.47 114.58 113.62 1du2 h GLU 43 Ca 0.40 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.91 1du2 h GLU 43 Cb 0.12 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.48 1du2 h GLU 43 CO -0.14 0.00 -0.52 -1.14 -1.16 0.00 0.00 179.01 176.05 1du2 s GLN 44 N -1.17 0.40 0.05 2.33 0.74 0.29 -5.07 119.66 117.23 1du2 s GLN 44 Ca -0.01 0.22 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 1du2 s GLN 44 Cb 0.00 -0.34 -0.05 0.00 1.10 0.00 0.00 33.01 33.72 1du2 s GLN 44 CO 0.01 -0.94 1.17 -1.25 -0.55 0.00 0.00 175.29 173.73 1du2 s PRO 45 N 2.54 4.44 0.20 1.67 0.04 -1.14 -4.47 135.00 138.29 1du2 s PRO 45 Ca 0.10 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1du2 s PRO 45 Cb -0.13 -3.37 0.14 0.00 0.04 0.00 0.00 34.50 31.17 1du2 s PRO 45 CO -0.27 -0.24 1.82 1.05 0.04 0.00 0.00 177.00 179.40 1du2 h GLU 46 N 6.84 1.00 -0.85 4.56 9.09 -1.85 -1.76 114.58 131.61 1du2 h GLU 46 Ca -0.41 -0.11 0.13 0.00 0.05 0.00 0.00 59.36 59.02 1du2 h GLU 46 Cb 1.21 -0.20 -0.06 0.00 -1.65 0.00 0.00 28.75 28.05 1du2 h GLU 46 CO 0.81 0.74 0.55 1.12 0.05 0.00 0.00 179.01 182.28 1du2 h HIS 47 N 0.99 0.77 -0.03 2.06 2.07 -1.91 0.71 115.15 119.81 1du2 h HIS 47 Ca 0.26 0.02 0.01 0.00 -2.85 0.00 0.00 60.37 57.81 1du2 h HIS 47 Cb 0.02 -0.25 -0.00 0.00 2.57 0.00 0.00 27.41 29.75 1du2 h HIS 47 CO -0.00 0.31 0.07 -0.07 -3.07 0.00 0.00 177.93 175.16 1du2 h LEU 48 N 0.67 0.00 -0.86 6.12 -0.00 -1.69 1.95 115.31 121.50 1du2 h LEU 48 Ca 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.27 1du2 h LEU 48 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.29 1du2 h LEU 48 CO -0.18 0.00 0.41 0.08 -0.00 0.00 0.00 178.44 178.75 1du2 h ARG 49 N 0.00 1.23 0.00 1.13 0.11 0.44 0.23 114.38 117.53 1du2 h ARG 49 Ca 0.02 -0.18 -0.24 0.00 0.10 0.00 0.00 59.98 59.68 1du2 h ARG 49 Cb 0.15 -0.22 -0.04 0.00 1.11 0.00 0.00 29.97 30.96 1du2 h ARG 49 CO -0.00 0.95 -2.08 0.43 0.10 0.00 0.00 179.97 179.37 1du2 n SER 50 N -4.30 0.87 0.23 0.08 7.64 -0.03 -2.00 113.62 116.12 1du2 n SER 50 Ca 0.09 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.07 1du2 n SER 50 Cb 0.14 1.12 0.54 0.00 -1.01 0.00 0.00 64.21 64.99 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 0.00 1.43 -0.00 0.30 1.68 115.95 119.36 1du2 h TRP 51 Ca -0.35 0.00 -0.26 0.00 -0.00 0.00 0.00 58.89 58.28 1du2 h TRP 51 Cb 1.76 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.87 1du2 h TRP 51 CO 0.00 0.20 -2.00 0.34 -0.00 0.00 0.00 178.44 176.98 1du2 n PHE 52 N -3.45 0.00 1.26 0.49 7.35 0.79 -4.46 117.46 119.44 1du2 n PHE 52 Ca -0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 1du2 n PHE 52 Cb 0.38 -0.68 0.39 0.00 0.35 0.00 0.00 39.48 39.91 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1du2 n ARG 53 N -2.92 1.87 -0.36 -4.13 0.63 -0.85 -4.38 116.66 106.52 1du2 n ARG 53 Ca -0.30 -1.28 0.30 0.00 -0.92 0.00 0.00 57.85 55.66 1du2 n ARG 53 Cb 0.86 -1.46 0.50 0.00 0.45 0.00 0.00 32.46 32.81 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 0.53 -0.02 0.00 -0.14 -0.00 0.57 -0.19 120.64 121.39 1du2 n GLU 54 Ca 0.17 0.90 0.00 0.00 -0.00 0.00 0.00 57.16 58.23 1du2 n GLU 54 Cb 0.41 -1.79 0.00 0.00 -0.00 0.00 0.00 31.44 30.06 1du2 n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1du2 n ARG 55 N -4.07 0.00 -3.99 3.44 1.74 -1.26 -4.18 116.66 108.34 1du2 n ARG 55 Ca 0.30 0.75 -0.31 0.00 -0.77 0.00 0.00 57.85 57.82 1du2 n ARG 55 Cb 1.17 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.99 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1du2 s LEU 56 N -4.90 4.53 0.05 0.55 2.34 0.73 -4.98 118.68 117.01 1du2 s LEU 56 Ca 0.00 -2.38 -0.32 0.00 0.06 0.00 0.00 54.13 51.49 1du2 s LEU 56 Cb 0.00 -1.60 -0.18 0.00 -0.56 0.00 0.00 46.19 43.85 1du2 s LEU 56 CO 0.00 -0.34 1.51 -0.29 -1.06 0.00 0.00 176.35 176.17 1du2 h ILE 57 N 6.28 0.31 -1.28 1.48 2.10 -1.72 -3.48 117.51 121.21 1du2 h ILE 57 Ca -0.05 -0.11 0.02 0.00 1.08 0.00 0.00 64.86 65.79 1du2 h ILE 57 Cb 0.98 0.35 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1du2 h ILE 57 CO 0.56 0.01 -0.03 0.00 -1.08 0.00 0.00 178.15 177.62 1du2 n ALA 58 N -2.52 -0.20 -2.44 0.18 0.00 -1.26 -4.92 120.51 109.34 1du2 n ALA 58 Ca -0.13 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1du2 n ALA 58 Cb 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 1du2 n ALA 58 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1du2 s HIS 59 N -0.15 2.60 -0.11 0.00 3.76 -1.26 -4.92 115.29 115.21 1du2 s HIS 59 Ca 0.00 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.29 1du2 s HIS 59 Cb 0.00 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1du2 s HIS 59 CO 0.00 0.20 0.05 0.54 -0.85 0.00 0.00 174.74 174.68 1du2 n ARG 60 N -1.23 -2.22 -0.01 1.40 3.00 -1.26 -4.98 116.66 111.36 1du2 n ARG 60 Ca -0.01 1.95 -0.01 0.00 -0.01 0.00 0.00 57.85 59.76 1du2 n ARG 60 Cb 0.65 -2.87 -0.01 0.00 0.00 0.00 0.00 32.46 30.23 1du2 n ARG 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1du2 n LEU 61 N 1.55 2.80 -3.15 0.55 4.32 -1.26 -5.03 117.00 116.79 1du2 n LEU 61 Ca -0.09 -0.01 0.05 0.00 -0.02 0.00 0.00 56.01 55.95 1du2 n LEU 61 Cb 0.29 -0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1du2 n LEU 61 CO 0.19 0.50 0.51 0.00 -1.22 0.00 0.00 177.39 177.37 1du2 s ALA 62 N -2.04 -3.91 -1.28 -1.18 0.00 -1.26 -5.06 121.76 107.02 1du2 s ALA 62 Ca -0.03 1.35 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 1du2 s ALA 62 Cb 0.01 -2.79 0.16 0.00 0.00 0.00 0.00 23.12 20.49 1du2 s ALA 62 CO 0.05 -2.02 2.10 -1.13 0.00 0.00 0.00 175.76 174.76 1du2 n SER 63 N 5.16 6.69 0.00 0.00 3.41 -1.26 -4.81 113.62 122.81 1du2 n SER 63 Ca 0.08 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1du2 n SER 63 Cb 0.57 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 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 2.32 0.00 0.01 -3.33 0.31 -1.26 -4.91 118.33 111.47 1du2 n VAL 64 Ca 0.50 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.62 1du2 n VAL 64 Cb 0.30 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.00 2.09 -1.74 4.52 2.85 -1.11 -5.07 115.26 116.81 1du2 n ASN 65 Ca 0.00 0.23 -0.01 0.00 -0.11 0.00 0.00 54.58 54.69 1du2 n ASN 65 Cb 0.00 -0.85 -0.01 0.00 1.24 0.00 0.00 39.78 40.16 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 -3.47 -2.95 -4.46 1.20 0.00 -1.25 -4.92 117.00 101.15 1du2 n LEU 66 Ca -0.31 0.48 -0.44 0.00 0.00 0.00 0.00 56.01 55.74 1du2 n LEU 66 Cb 1.05 -1.50 -0.01 0.00 0.00 0.00 0.00 43.42 42.96 1du2 n LEU 66 CO 0.44 -0.86 0.12 -1.20 0.00 0.00 0.00 177.39 175.88 1du2 n SER 67 N 0.34 -0.65 -3.64 1.96 7.64 -1.26 -4.97 113.62 113.04 1du2 n SER 67 Ca -0.08 1.02 -0.05 0.00 1.01 0.00 0.00 58.87 60.76 1du2 n SER 67 Cb 0.13 -1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 62.22 1du2 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1du2 s ARG 68 N -1.38 0.99 0.07 1.43 1.04 -1.26 -5.12 118.95 114.73 1du2 s ARG 68 Ca 0.62 -0.48 0.00 0.00 -1.04 0.00 0.00 55.73 54.83 1du2 s ARG 68 Cb -0.71 0.38 0.00 0.00 -2.04 0.00 0.00 34.95 32.58 1du2 s ARG 68 CO 0.58 -0.45 0.00 -0.11 -0.04 0.00 0.00 175.30 175.29 1du2 n LEU 69 N -0.38 -6.08 -4.76 -1.89 0.00 -1.26 -4.92 117.00 97.71 1du2 n LEU 69 Ca -0.07 2.73 -0.39 0.00 0.00 0.00 0.00 56.01 58.27 1du2 n LEU 69 Cb 0.61 -3.03 -0.04 0.00 0.00 0.00 0.00 43.42 40.96 1du2 n LEU 69 CO 0.12 -2.33 0.77 -2.16 0.00 0.00 0.00 177.39 173.78 1du2 s PRO 70 N -0.78 4.52 0.89 1.96 0.04 -1.26 -5.04 135.00 135.33 1du2 s PRO 70 Ca 0.00 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 1du2 s PRO 70 Cb 0.00 -3.01 0.13 0.00 0.04 0.00 0.00 34.50 31.66 1du2 s PRO 70 CO 0.00 0.13 1.14 -0.47 0.04 0.00 0.00 177.00 177.84 1du2 s TYR 71 N -1.31 2.59 -0.18 0.56 5.04 -1.26 -5.06 117.35 117.73 1du2 s TYR 71 Ca 0.48 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 55.98 1du2 s TYR 71 Cb -0.29 -3.39 0.02 0.00 0.35 0.00 0.00 41.96 38.66 1du2 s TYR 71 CO 0.37 -2.25 -0.19 -1.21 -1.34 0.00 0.00 175.55 170.92 1du2 s GLU 72 N -5.31 2.86 0.01 4.97 2.02 -1.26 -5.01 118.70 116.98 1du2 s GLU 72 Ca 0.63 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 54.62 1du2 s GLU 72 Cb -0.14 -2.51 -0.22 0.00 0.10 0.00 0.00 34.13 31.37 1du2 s GLU 72 CO 0.53 -0.22 1.13 -1.00 0.02 0.00 0.00 175.26 175.71 1du2 h PRO 73 N 7.95 0.39 0.00 0.39 0.13 -2.07 -3.49 132.00 135.31 1du2 h PRO 73 Ca -0.44 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1du2 h PRO 73 Cb 1.14 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1du2 h PRO 73 CO 0.62 1.04 0.00 1.17 -0.23 0.00 0.00 178.00 180.60 1du2 n LYS 74 N -4.29 0.00 -2.09 0.86 4.81 -1.26 -5.10 118.16 111.10 1du2 n LYS 74 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.34 1du2 n LYS 74 Cb 0.61 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.65 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 0.00 -4.73 0.00 3.14 -0.00 -1.26 -5.31 117.00 108.84 1du2 n LEU 75 Ca 0.00 0.85 0.08 0.00 -0.00 0.00 0.00 56.01 56.94 1du2 n LEU 75 Cb 0.00 -2.16 0.48 0.00 -0.00 0.00 0.00 43.42 41.74 1du2 n LEU 75 CO 0.00 -1.73 0.69 1.17 -0.00 0.00 0.00 177.39 177.51