#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d54 s PRO 2 N 0.00 4.20 -0.06 0.03 0.04 -1.26 -4.97 135.00 132.98 3d54 s PRO 2 Ca 0.00 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.85 3d54 s PRO 2 Cb 0.00 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3d54 s PRO 2 CO 0.00 0.30 0.15 -0.51 0.04 0.00 0.00 177.00 176.98 3d54 s LEU 3 N -2.33 4.33 -0.22 -3.56 1.02 -1.26 -3.29 118.68 113.37 3d54 s LEU 3 Ca 0.48 0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.99 3d54 s LEU 3 Cb -0.15 -2.31 0.07 0.00 0.02 0.00 0.00 46.19 43.82 3d54 s LEU 3 CO 0.20 0.34 0.04 -0.36 0.02 0.00 0.00 176.35 176.58 3d54 s PHE 4 N -1.16 1.24 0.05 0.29 0.08 -0.75 -4.95 117.98 112.78 3d54 s PHE 4 Ca 0.21 -1.07 -0.30 0.00 0.12 0.00 0.00 56.93 55.88 3d54 s PHE 4 Cb -0.12 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.11 3d54 s PHE 4 CO 0.11 -0.67 1.11 0.15 -0.10 0.00 0.00 175.22 175.81 3d54 s LYS 5 N 1.79 4.50 0.17 0.44 1.02 -1.26 -2.32 119.74 124.07 3d54 s LYS 5 Ca 0.00 1.63 0.04 0.00 0.02 0.00 0.00 55.97 57.66 3d54 s LYS 5 Cb -0.17 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 3d54 s LYS 5 CO -0.11 -0.14 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.05 3d54 s PHE 6 N 0.91 1.35 -0.19 3.18 0.08 -0.91 -2.37 117.98 120.03 3d54 s PHE 6 Ca 0.55 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 3d54 s PHE 6 Cb -0.26 -0.72 0.09 0.00 -0.57 0.00 0.00 43.02 41.55 3d54 s PHE 6 CO 0.29 0.03 0.22 0.00 -0.10 0.00 0.00 175.22 175.66 3d54 s ALA 7 N -3.37 -0.27 -0.26 5.36 0.00 -0.68 -1.85 121.76 120.70 3d54 s ALA 7 Ca 0.21 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 3d54 s ALA 7 Cb 0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3d54 s ALA 7 CO 0.03 -1.16 0.42 0.42 0.00 0.00 0.00 175.76 175.47 3d54 s ILE 8 N 2.33 5.15 -0.40 0.00 1.01 0.19 -2.61 121.20 126.87 3d54 s ILE 8 Ca 0.06 0.68 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 3d54 s ILE 8 Cb -0.15 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.59 3d54 s ILE 8 CO -0.12 0.15 0.41 -0.62 0.00 0.00 0.00 174.94 174.77 3d54 s ASP 9 N 1.52 6.19 -0.13 3.58 -1.08 -0.80 -1.50 116.67 124.44 3d54 s ASP 9 Ca 0.17 -0.58 -0.04 0.00 -0.52 0.00 0.00 52.55 51.58 3d54 s ASP 9 Cb -0.16 -2.21 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 3d54 s ASP 9 CO 0.09 -0.52 0.02 -0.69 0.52 0.00 0.00 175.17 174.60 3d54 s VAL 10 N 2.09 4.46 0.05 1.11 1.01 -0.75 -2.14 120.40 126.23 3d54 s VAL 10 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3d54 s VAL 10 Cb -0.17 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 3d54 s VAL 10 CO 0.13 0.55 0.12 -1.10 0.00 0.00 0.00 175.10 174.80 3d54 s GLN 11 N -0.33 0.64 0.44 2.72 -1.52 -0.87 -2.25 119.66 118.50 3d54 s GLN 11 Ca 0.07 -0.79 -0.21 0.00 -1.95 0.00 0.00 55.36 52.48 3d54 s GLN 11 Cb -0.12 0.25 -0.10 0.00 -0.22 0.00 0.00 33.01 32.82 3d54 s GLN 11 CO 0.02 -0.17 0.99 0.71 -0.25 0.00 0.00 175.29 176.59 3d54 s TYR 12 N -2.86 3.22 0.53 0.91 4.12 -1.26 -1.01 117.35 120.99 3d54 s TYR 12 Ca -0.03 1.61 -0.20 0.00 0.02 0.00 0.00 57.07 58.47 3d54 s TYR 12 Cb 0.00 -2.96 -0.08 0.00 -1.52 0.00 0.00 41.96 37.40 3d54 s TYR 12 CO -0.06 -0.40 0.78 0.54 0.02 0.00 0.00 175.55 176.43 3d54 n ARG 13 N -0.63 0.84 0.00 -0.62 1.74 -0.38 -4.80 116.66 112.80 3d54 n ARG 13 Ca 0.07 0.31 0.01 0.00 -0.77 0.00 0.00 57.85 57.48 3d54 n ARG 13 Cb 0.53 -1.91 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3d54 n ARG 13 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3d54 n SER 14 N 0.19 0.00 0.00 0.55 7.64 -1.26 -1.37 113.62 119.37 3d54 n SER 14 Ca 0.12 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3d54 n SER 14 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3d54 n SER 14 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d54 n ASN 15 N -0.98 0.38 -4.65 6.43 4.13 -1.26 -5.02 115.26 114.28 3d54 n ASN 15 Ca 0.02 -1.02 -0.40 0.00 1.68 0.00 0.00 54.58 54.86 3d54 n ASN 15 Cb 0.01 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.19 3d54 n ASN 15 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3d54 s VAL 16 N -0.02 5.02 0.22 2.41 1.01 -0.47 -5.03 120.40 123.54 3d54 s VAL 16 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 3d54 s VAL 16 Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 3d54 s VAL 16 CO 0.00 0.09 1.38 -0.60 0.00 0.00 0.00 175.10 175.97 3d54 s ARG 17 N 2.04 4.33 -0.50 2.72 3.52 -1.26 -4.72 118.95 125.09 3d54 s ARG 17 Ca 0.28 2.17 0.03 0.00 -0.13 0.00 0.00 55.73 58.08 3d54 s ARG 17 Cb -0.16 -3.16 0.15 0.00 -1.56 0.00 0.00 34.95 30.22 3d54 s ARG 17 CO 0.10 -0.34 0.30 0.34 -0.81 0.00 0.00 175.30 174.89 3d54 s ASP 18 N 0.40 3.66 0.16 -2.12 2.15 -1.26 -4.97 116.67 114.69 3d54 s ASP 18 Ca 0.59 -2.96 0.22 0.00 0.43 0.00 0.00 52.55 50.82 3d54 s ASP 18 Cb -0.39 -1.14 0.87 0.00 -0.30 0.00 0.00 42.92 41.97 3d54 s ASP 18 CO 0.40 -0.21 1.66 -2.65 -0.17 0.00 0.00 175.17 174.19 3d54 n PRO 19 N 3.10 0.13 0.19 4.34 -0.02 -1.26 -1.58 135.00 139.90 3d54 n PRO 19 Ca 0.13 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3d54 n PRO 19 Cb 0.36 -1.73 0.37 0.00 -0.02 0.00 0.00 33.50 32.48 3d54 n PRO 19 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3d54 h ARG 20 N 0.00 0.00 0.00 -0.52 1.12 -1.99 -2.16 114.38 110.83 3d54 h ARG 20 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 3d54 h ARG 20 Cb 0.38 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 3d54 h ARG 20 CO 0.00 0.37 -1.70 0.41 -3.11 0.00 0.00 179.97 175.94 3d54 n GLY 21 N -0.24 -1.10 0.16 2.80 0.00 -0.62 -3.37 105.19 102.82 3d54 n GLY 21 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3d54 n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d54 h GLU 22 N 0.00 0.00 -0.07 1.61 5.08 -1.30 -2.43 114.58 117.47 3d54 h GLU 22 Ca -0.25 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 3d54 h GLU 22 Cb 1.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 3d54 h GLU 22 CO 0.05 0.50 -0.61 1.15 -1.00 0.00 0.00 179.01 179.10 3d54 h THR 23 N 0.00 1.39 0.01 1.13 2.02 -1.50 -1.94 112.91 114.03 3d54 h THR 23 Ca -0.01 -2.00 -0.20 0.00 0.77 0.00 0.00 66.41 64.97 3d54 h THR 23 Cb 1.12 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 3d54 h THR 23 CO 0.07 0.59 -0.92 0.40 0.37 0.00 0.00 175.52 176.03 3d54 h ILE 24 N 0.17 1.54 -0.28 3.11 2.04 -1.54 -2.96 117.51 119.60 3d54 h ILE 24 Ca -0.01 -2.81 -0.15 0.00 1.00 0.00 0.00 64.86 62.89 3d54 h ILE 24 Cb 1.12 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 3d54 h ILE 24 CO 0.09 0.81 -0.44 -0.08 0.00 0.00 0.00 178.15 178.54 3d54 h GLU 25 N 0.07 0.70 0.51 2.37 4.81 -1.29 -3.02 114.58 118.73 3d54 h GLU 25 Ca -0.04 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3d54 h GLU 25 Cb 1.58 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 3d54 h GLU 25 CO 0.13 1.00 -0.37 0.00 -0.73 0.00 0.00 179.01 179.04 3d54 h ARG 26 N 0.56 -0.81 0.00 1.92 2.47 -1.32 -3.10 114.38 114.09 3d54 h ARG 26 Ca 0.04 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3d54 h ARG 26 Cb 0.98 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3d54 h ARG 26 CO 0.09 -0.54 0.00 0.28 0.56 0.00 0.00 179.97 180.36 3d54 n VAL 27 N -4.70 0.00 -0.17 2.04 0.31 -1.12 -1.45 118.33 113.23 3d54 n VAL 27 Ca -0.10 0.89 -0.00 0.00 -0.01 0.00 0.00 64.34 65.12 3d54 n VAL 27 Cb 0.36 -1.67 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3d54 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d54 n LEU 28 N -0.57 1.78 0.00 7.52 -0.00 -1.14 0.74 117.00 125.32 3d54 n LEU 28 Ca 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 3d54 n LEU 28 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 3d54 n LEU 28 CO 0.00 0.33 -0.16 0.54 -0.00 0.00 0.00 177.39 178.11 3d54 n ARG 29 N 1.86 1.01 -0.03 1.47 1.74 -1.03 -3.79 116.66 117.89 3d54 n ARG 29 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3d54 n ARG 29 Cb 0.17 -0.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.82 3d54 n ARG 29 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3d54 n GLU 30 N -1.12 0.79 -0.02 5.56 1.02 0.23 -3.05 120.64 124.04 3d54 n GLU 30 Ca 0.00 -0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.04 3d54 n GLU 30 Cb 0.16 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 3d54 n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3d54 n GLU 31 N -2.25 1.18 0.00 3.49 1.02 0.22 -4.63 120.64 119.68 3d54 n GLU 31 Ca -0.10 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3d54 n GLU 31 Cb 0.62 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 3d54 n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d54 n LYS 32 N -2.10 0.03 -4.07 3.49 4.76 -1.16 -4.96 118.16 114.15 3d54 n LYS 32 Ca -0.08 -0.39 -0.39 0.00 -2.87 0.00 0.00 58.31 54.58 3d54 n LYS 32 Cb 0.52 -0.88 -0.01 0.00 -1.84 0.00 0.00 35.03 32.83 3d54 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d54 n GLY 33 N 0.11 -0.59 3.49 0.72 0.00 -1.17 -4.85 105.19 102.89 3d54 n GLY 33 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3d54 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d54 s LEU 34 N -7.16 2.75 -1.04 0.99 1.02 -1.25 -4.98 118.68 109.02 3d54 s LEU 34 Ca 0.34 -0.27 -0.23 0.00 0.02 0.00 0.00 54.13 54.00 3d54 s LEU 34 Cb -0.19 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.44 3d54 s LEU 34 CO 0.87 0.31 1.70 -2.84 0.02 0.00 0.00 176.35 176.41 3d54 s PRO 35 N -1.07 3.21 -0.36 1.29 0.02 -1.26 -4.61 135.00 132.21 3d54 s PRO 35 Ca 0.13 -0.98 0.00 0.00 0.02 0.00 0.00 61.00 60.17 3d54 s PRO 35 Cb -0.11 -5.28 0.13 0.00 0.02 0.00 0.00 34.50 29.27 3d54 s PRO 35 CO 0.03 -2.77 0.21 0.54 -0.33 0.00 0.00 177.00 174.68 3d54 s VAL 36 N 7.11 0.43 0.47 3.83 0.11 -1.26 -5.13 120.40 125.96 3d54 s VAL 36 Ca 0.57 -1.81 -0.11 0.00 -2.93 0.00 0.00 61.98 57.70 3d54 s VAL 36 Cb -0.02 -1.32 -0.06 0.00 -1.53 0.00 0.00 36.38 33.45 3d54 s VAL 36 CO -0.02 -0.94 0.85 -0.54 -3.33 0.00 0.00 175.10 171.12 3d54 s LYS 37 N 1.02 3.75 -0.20 1.54 1.02 -1.26 -4.85 119.74 120.76 3d54 s LYS 37 Ca 0.17 0.56 -0.06 0.00 0.02 0.00 0.00 55.97 56.66 3d54 s LYS 37 Cb -0.23 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3d54 s LYS 37 CO -0.03 -0.18 0.21 1.17 -0.92 0.00 0.00 175.35 175.60 3d54 n LYS 38 N -1.71 -1.38 -3.84 1.68 4.81 -1.26 -5.04 118.16 111.43 3d54 n LYS 38 Ca 0.03 1.43 -0.22 0.00 -0.87 0.00 0.00 58.31 58.68 3d54 n LYS 38 Cb 0.54 -3.50 -0.17 0.00 0.02 0.00 0.00 35.03 31.91 3d54 n LYS 38 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3d54 s LEU 39 N -1.52 0.74 0.16 3.14 0.20 -1.26 -5.14 118.68 114.99 3d54 s LEU 39 Ca 0.09 -0.10 0.06 0.00 0.69 0.00 0.00 54.13 54.88 3d54 s LEU 39 Cb -0.02 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.25 3d54 s LEU 39 CO 0.39 -0.17 0.02 -0.13 -0.29 0.00 0.00 176.35 176.18 3d54 s ARG 40 N 1.78 2.52 -0.02 1.98 0.52 -1.26 -4.69 118.95 119.77 3d54 s ARG 40 Ca 0.02 -1.01 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 3d54 s ARG 40 Cb -0.13 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.89 3d54 s ARG 40 CO -0.05 0.48 -0.19 -1.17 0.02 0.00 0.00 175.30 174.39 3d54 s LEU 41 N -2.85 2.01 0.00 2.53 1.98 -1.26 -5.07 118.68 116.02 3d54 s LEU 41 Ca 0.28 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 3d54 s LEU 41 Cb -0.10 -1.01 0.00 0.00 0.66 0.00 0.00 46.19 45.74 3d54 s LEU 41 CO 0.19 0.22 0.00 0.61 -1.89 0.00 0.00 176.35 175.48 3d54 n GLY 42 N 2.73 2.74 3.94 7.98 0.00 -1.26 -4.57 105.19 116.75 3d54 n GLY 42 Ca -0.16 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 3d54 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d54 s LYS 43 N -0.57 3.42 -0.25 1.61 1.02 -0.95 -4.99 119.74 119.01 3d54 s LYS 43 Ca 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 3d54 s LYS 43 Cb 0.00 -2.96 0.08 0.00 -0.52 0.00 0.00 37.83 34.43 3d54 s LYS 43 CO 0.00 0.53 0.08 0.45 -0.92 0.00 0.00 175.35 175.49 3d54 s SER 44 N -3.15 3.41 -0.24 2.83 0.15 -1.26 -1.82 113.70 113.62 3d54 s SER 44 Ca 0.34 -1.19 -0.08 0.00 0.70 0.00 0.00 55.95 55.72 3d54 s SER 44 Cb -0.11 -0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 63.54 3d54 s SER 44 CO 0.28 -0.37 0.08 -0.63 1.20 0.00 0.00 173.24 173.80 3d54 s ILE 45 N 1.84 4.47 -0.15 6.45 1.01 -0.56 -4.95 121.20 129.31 3d54 s ILE 45 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 3d54 s ILE 45 Cb -0.17 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3d54 s ILE 45 CO -0.20 0.35 0.07 -1.00 0.00 0.00 0.00 174.94 174.15 3d54 s HIS 46 N 1.45 3.31 -0.19 3.97 3.76 -1.26 0.55 115.29 126.88 3d54 s HIS 46 Ca 0.06 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.06 3d54 s HIS 46 Cb -0.15 -1.99 0.06 0.00 1.11 0.00 0.00 32.58 31.61 3d54 s HIS 46 CO 0.04 0.35 0.48 -0.48 -0.85 0.00 0.00 174.74 174.28 3d54 s LEU 47 N -0.19 -0.26 0.14 0.89 0.05 -0.77 -5.00 118.68 113.54 3d54 s LEU 47 Ca 0.08 1.03 -0.10 0.00 0.05 0.00 0.00 54.13 55.19 3d54 s LEU 47 Cb -0.12 1.59 -0.06 0.00 -2.05 0.00 0.00 46.19 45.55 3d54 s LEU 47 CO 0.01 -0.20 0.46 -1.61 -0.55 0.00 0.00 176.35 174.46 3d54 s GLU 48 N 1.37 3.78 0.01 1.48 2.02 -1.26 -2.14 118.70 123.96 3d54 s GLU 48 Ca -0.09 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.12 3d54 s GLU 48 Cb -0.07 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 3d54 s GLU 48 CO -0.13 0.47 -0.05 0.08 0.02 0.00 0.00 175.26 175.65 3d54 s VAL 49 N -1.55 0.37 -0.15 2.63 1.01 -0.98 -4.94 120.40 116.79 3d54 s VAL 49 Ca 0.38 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 3d54 s VAL 49 Cb -0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3d54 s VAL 49 CO 0.20 -0.14 0.03 -1.61 0.00 0.00 0.00 175.10 173.59 3d54 s GLU 50 N -0.75 3.66 0.04 2.72 2.02 -1.26 -1.80 118.70 123.32 3d54 s GLU 50 Ca -0.04 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 3d54 s GLU 50 Cb -0.05 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.13 3d54 s GLU 50 CO -0.00 0.39 0.13 0.00 0.02 0.00 0.00 175.26 175.80 3d54 n ALA 51 N 3.13 -0.33 -0.01 5.21 0.00 -1.21 -4.99 120.51 122.31 3d54 n ALA 51 Ca -0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 3d54 n ALA 51 Cb 0.53 0.10 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 3d54 n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d54 h GLU 52 N 0.00 -0.02 0.00 0.00 3.07 -1.93 -3.35 114.58 112.35 3d54 h GLU 52 Ca -0.04 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.24 3d54 h GLU 52 Cb 0.17 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 27.98 3d54 h GLU 52 CO 0.05 -0.02 -0.42 0.27 -1.40 0.00 0.00 179.01 177.50 3d54 n ASN 53 N -3.43 3.23 0.08 1.42 0.23 -1.26 -4.85 115.26 110.68 3d54 n ASN 53 Ca -0.00 -2.96 -0.05 0.00 -0.53 0.00 0.00 54.58 51.04 3d54 n ASN 53 Cb 0.01 0.31 -0.05 0.00 -2.08 0.00 0.00 39.78 37.96 3d54 n ASN 53 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3d54 h LYS 54 N 0.00 0.00 0.00 -3.83 3.64 -1.99 -2.80 116.57 111.60 3d54 h LYS 54 Ca -0.37 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 3d54 h LYS 54 Cb 1.12 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3d54 h LYS 54 CO 0.61 0.90 -0.53 1.49 -2.27 0.00 0.00 179.45 179.66 3d54 h GLU 55 N 0.00 0.00 0.00 1.90 4.81 -2.00 -2.41 114.58 116.88 3d54 h GLU 55 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3d54 h GLU 55 Cb 1.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3d54 h GLU 55 CO 0.12 0.53 -0.68 -0.22 -0.73 0.00 0.00 179.01 178.02 3d54 h LYS 56 N 0.00 0.00 0.25 1.92 1.63 -1.98 -3.25 116.57 115.15 3d54 h LYS 56 Ca -0.01 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 3d54 h LYS 56 Cb 1.16 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.83 3d54 h LYS 56 CO 0.07 0.00 -1.47 0.00 -3.45 0.00 0.00 179.45 174.60 3d54 h ALA 57 N 2.35 -0.15 0.00 5.00 0.00 -1.33 -3.17 119.26 121.95 3d54 h ALA 57 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 3d54 h ALA 57 Cb 0.83 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3d54 h ALA 57 CO 0.00 0.70 -0.20 -0.92 0.00 0.00 0.00 179.25 178.84 3d54 h TYR 58 N 0.15 0.00 -0.15 0.00 3.20 -1.53 -2.48 116.97 116.16 3d54 h TYR 58 Ca -0.25 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.52 3d54 h TYR 58 Cb 2.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.42 3d54 h TYR 58 CO 0.13 0.20 -0.35 0.93 -1.64 0.00 0.00 178.16 177.43 3d54 h GLU 59 N 0.00 0.31 -0.30 1.82 4.39 -1.57 -1.50 114.58 117.73 3d54 h GLU 59 Ca -0.00 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.42 3d54 h GLU 59 Cb 0.44 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3d54 h GLU 59 CO 0.03 0.62 -0.39 0.82 -1.16 0.00 0.00 179.01 178.93 3d54 h ILE 60 N 0.27 1.29 -0.21 3.13 2.04 -1.50 -1.66 117.51 120.87 3d54 h ILE 60 Ca 0.03 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 3d54 h ILE 60 Cb 0.74 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3d54 h ILE 60 CO 0.06 0.51 0.04 0.58 0.00 0.00 0.00 178.15 179.34 3d54 h VAL 61 N 0.56 1.22 0.00 1.67 2.07 -1.46 -1.40 116.25 118.90 3d54 h VAL 61 Ca 0.04 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3d54 h VAL 61 Cb 0.98 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3d54 h VAL 61 CO 0.09 0.23 -0.13 0.50 0.02 0.00 0.00 177.57 178.28 3d54 h LYS 62 N 0.16 0.00 0.01 1.57 3.64 -1.23 -1.74 116.57 118.99 3d54 h LYS 62 Ca 0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3d54 h LYS 62 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3d54 h LYS 62 CO 0.00 0.13 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.95 3d54 h LYS 63 N 0.00 0.07 -0.23 1.90 3.64 -0.88 -3.22 116.57 117.85 3d54 h LYS 63 Ca -0.00 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3d54 h LYS 63 Cb 0.35 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3d54 h LYS 63 CO 0.02 0.96 0.17 0.00 -2.27 0.00 0.00 179.45 178.32 3d54 h ALA 64 N 0.12 2.21 0.01 5.00 0.00 -0.80 -0.90 119.26 124.90 3d54 h ALA 64 Ca -0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3d54 h ALA 64 Cb 1.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3d54 h ALA 64 CO 0.03 -0.29 -0.94 0.00 0.00 0.00 0.00 179.25 178.05 3d54 h GLU 66 N 0.16 0.00 0.00 0.00 4.39 -1.17 -1.73 114.58 116.23 3d54 h GLU 66 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3d54 h GLU 66 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 3d54 h GLU 66 CO 0.15 0.64 0.00 -0.85 -1.16 0.00 0.00 179.01 177.79 3d54 n GLU 67 N -3.45 0.92 0.05 2.33 0.28 -1.11 -4.86 120.64 114.79 3d54 n GLU 67 Ca 0.00 -0.86 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 3d54 n GLU 67 Cb 0.72 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.71 3d54 n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3d54 n LEU 68 N -0.21 -0.62 -0.07 -1.84 7.94 -0.90 -5.04 117.00 116.26 3d54 n LEU 68 Ca 0.00 0.18 -0.15 0.00 -1.11 0.00 0.00 56.01 54.93 3d54 n LEU 68 Cb 0.20 0.81 -0.05 0.00 0.53 0.00 0.00 43.42 44.91 3d54 n LEU 68 CO 0.00 -0.42 0.43 -0.07 -1.11 0.00 0.00 177.39 176.22 3d54 h LEU 69 N 0.00 0.86 -9.06 -1.96 3.38 -1.23 -3.42 115.31 103.89 3d54 h LEU 69 Ca 0.00 -0.55 -0.66 0.00 0.09 0.00 0.00 57.88 56.76 3d54 h LEU 69 Cb 0.00 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 40.32 3d54 h LEU 69 CO 0.00 1.25 -0.65 -0.69 0.09 0.00 0.00 178.44 178.44 3d54 s VAL 70 N -4.06 4.06 -0.60 1.22 1.01 -0.65 -5.04 120.40 116.34 3d54 s VAL 70 Ca -0.11 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 3d54 s VAL 70 Cb 0.09 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.79 3d54 s VAL 70 CO 0.87 0.55 0.90 0.21 0.00 0.00 0.00 175.10 177.62 3d54 s ASN 71 N -0.28 6.24 0.00 3.32 2.47 -1.26 -4.67 114.94 120.75 3d54 s ASN 71 Ca 0.05 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.55 3d54 s ASN 71 Cb -0.12 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 3d54 s ASN 71 CO 0.02 -1.28 0.68 -0.81 -3.72 0.00 0.00 177.10 171.99 3d54 n PRO 72 N 7.34 0.00 -0.04 0.43 -0.04 -1.26 -1.65 135.00 139.78 3d54 n PRO 72 Ca -0.03 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 3d54 n PRO 72 Cb 0.46 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3d54 n PRO 72 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3d54 h VAL 73 N 0.00 1.35 0.00 0.52 2.07 -2.02 -3.41 116.25 114.77 3d54 h VAL 73 Ca 0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3d54 h VAL 73 Cb 0.06 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3d54 h VAL 73 CO 0.00 0.43 0.00 1.33 0.02 0.00 0.00 177.57 179.35 3d54 n VAL 74 N -4.71 0.19 -4.76 2.57 0.24 -1.14 -5.04 118.33 105.70 3d54 n VAL 74 Ca -0.08 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.34 61.55 3d54 n VAL 74 Cb 0.35 1.21 -0.13 0.00 -1.47 0.00 0.00 33.84 33.81 3d54 n VAL 74 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3d54 s GLU 75 N -0.19 2.38 0.06 7.34 2.02 -0.66 -1.25 118.70 128.40 3d54 s GLU 75 Ca 0.00 -0.78 0.09 0.00 0.02 0.00 0.00 54.97 54.29 3d54 s GLU 75 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 3d54 s GLU 75 CO 0.00 0.60 -0.23 -1.83 0.02 0.00 0.00 175.26 173.82 3d54 s GLU 76 N -1.05 1.85 0.10 1.61 -1.05 -0.18 -4.54 118.70 115.44 3d54 s GLU 76 Ca 0.13 -1.09 0.04 0.00 -0.15 0.00 0.00 54.97 53.90 3d54 s GLU 76 Cb -0.11 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.49 3d54 s GLU 76 CO 0.03 0.51 -0.11 1.52 0.95 0.00 0.00 175.26 178.16 3d54 s TYR 77 N -0.90 1.14 -0.07 4.83 1.13 -1.26 -2.04 117.35 120.18 3d54 s TYR 77 Ca 0.13 -0.61 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 3d54 s TYR 77 Cb -0.10 -0.62 0.04 0.00 -1.10 0.00 0.00 41.96 40.18 3d54 s TYR 77 CO 0.04 0.04 0.10 -2.00 -2.51 0.00 0.00 175.55 171.22 3d54 s GLU 78 N -2.67 -0.02 -0.03 -3.49 2.12 -0.91 -5.01 118.70 108.69 3d54 s GLU 78 Ca 0.05 0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 3d54 s GLU 78 Cb -0.04 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.77 3d54 s GLU 78 CO 0.01 -0.36 0.11 0.54 -0.54 0.00 0.00 175.26 175.02 3d54 s VAL 79 N 2.22 4.96 0.14 3.70 0.11 -1.26 -1.91 120.40 128.36 3d54 s VAL 79 Ca 0.04 -0.26 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 3d54 s VAL 79 Cb -0.12 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 3d54 s VAL 79 CO -0.05 0.40 0.03 0.00 -3.33 0.00 0.00 175.10 172.16 3d54 s ARG 80 N -1.63 0.99 0.40 1.54 1.70 -1.07 -5.02 118.95 115.86 3d54 s ARG 80 Ca 0.22 -1.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.03 3d54 s ARG 80 Cb -0.12 0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 34.30 3d54 s ARG 80 CO 0.13 -0.21 0.60 -1.21 -1.08 0.00 0.00 175.30 173.53 3d54 s GLU 81 N -4.00 3.18 0.00 3.89 2.02 -1.26 -1.68 118.70 120.85 3d54 s GLU 81 Ca 0.24 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3d54 s GLU 81 Cb 0.07 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3d54 s GLU 81 CO 0.02 -0.10 0.10 1.28 0.02 0.00 0.00 175.26 176.57