#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcc h GLY 2 N 0.00 0.00 -7.56 3.03 0.00 -2.13 -3.45 103.07 92.96 2wcc h GLY 2 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2wcc h GLY 2 CO 0.00 0.00 -0.77 0.50 0.00 0.00 0.00 176.54 176.27 2wcc s ARG 3 N -1.59 1.43 -0.04 4.80 0.52 -1.26 -5.02 118.95 117.79 2wcc s ARG 3 Ca -0.03 -1.03 -0.10 0.00 -0.52 0.00 0.00 55.73 54.04 2wcc s ARG 3 Cb 0.00 -2.54 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 2wcc s ARG 3 CO 0.05 -0.68 0.47 0.00 0.02 0.00 0.00 175.30 175.16 2wcc h ARG 4 N 7.96 -0.35 -4.20 3.54 2.47 -2.09 -3.48 114.38 118.24 2wcc h ARG 4 Ca -0.16 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.47 2wcc h ARG 4 Cb 1.06 0.08 -0.15 0.00 -1.65 0.00 0.00 29.97 29.31 2wcc h ARG 4 CO 0.42 -0.23 -0.65 0.50 0.56 0.00 0.00 179.97 180.56 2wcc s ARG 5 N -2.74 0.63 0.00 0.04 3.52 -1.26 -5.17 118.95 113.97 2wcc s ARG 5 Ca -0.05 -1.19 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 2wcc s ARG 5 Cb 0.01 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.62 2wcc s ARG 5 CO 0.16 -0.12 0.00 0.45 -0.81 0.00 0.00 175.30 174.98 2wcc n SER 6 N 0.11 0.16 -0.06 -2.12 2.88 -1.26 -5.05 113.62 108.28 2wcc n SER 6 Ca -0.14 -1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 56.31 2wcc n SER 6 Cb 0.61 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 2wcc n SER 6 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2wcc h HIS 7 N 1.01 0.00 -0.07 0.66 -0.00 -2.02 -3.19 115.15 111.53 2wcc h HIS 7 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2wcc h HIS 7 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2wcc h HIS 7 CO 0.00 0.40 -0.01 1.05 -0.00 0.00 0.00 177.93 179.37 2wcc h GLU 8 N -1.00 0.10 0.00 2.45 4.11 -2.02 0.15 114.58 118.37 2wcc h GLU 8 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2wcc h GLU 8 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2wcc h GLU 8 CO -0.00 0.12 0.00 -2.13 0.07 0.00 0.00 179.01 177.07 2wcc n ARG 9 N -4.46 0.17 0.25 1.06 0.00 -1.25 -2.65 116.66 109.78 2wcc n ARG 9 Ca -0.02 0.15 0.13 0.00 -0.00 0.00 0.00 57.85 58.11 2wcc n ARG 9 Cb 0.13 -1.50 0.65 0.00 0.00 0.00 0.00 32.46 31.74 2wcc n ARG 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2wcc h ARG 10 N 0.00 0.00 0.00 -0.14 2.43 -0.68 -2.99 114.38 113.00 2wcc h ARG 10 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wcc h ARG 10 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2wcc h ARG 10 CO 0.00 0.14 -0.02 -3.47 -1.51 0.00 0.00 179.97 175.11 2wcc n ASP 11 N -3.47 2.05 -4.57 -3.80 -0.08 -1.08 -5.02 116.55 100.58 2wcc n ASP 11 Ca -0.01 -2.57 -0.34 0.00 -1.51 0.00 0.00 54.79 50.37 2wcc n ASP 11 Cb 0.31 -0.24 -0.11 0.00 2.34 0.00 0.00 41.12 43.41 2wcc n ASP 11 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wcc s LEU 12 N -1.95 3.20 1.04 -2.67 2.01 -1.13 -5.01 118.68 114.16 2wcc s LEU 12 Ca 0.17 -0.03 -0.16 0.00 0.01 0.00 0.00 54.13 54.12 2wcc s LEU 12 Cb 0.15 -1.71 0.22 0.00 0.01 0.00 0.00 46.19 44.86 2wcc s LEU 12 CO 0.02 0.33 1.18 -2.16 1.01 0.00 0.00 176.35 176.73 2wcc s PRO 13 N -0.62 0.04 0.59 1.29 0.04 -1.26 -4.94 135.00 130.13 2wcc s PRO 13 Ca 0.09 -0.07 -0.18 0.00 0.04 0.00 0.00 61.00 60.89 2wcc s PRO 13 Cb -0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2wcc s PRO 13 CO 0.02 -2.87 1.14 -1.25 0.04 0.00 0.00 177.00 174.07 2wcc s PRO 14 N -5.52 3.12 -0.85 0.56 0.04 -1.26 -3.14 135.00 127.96 2wcc s PRO 14 Ca 0.70 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2wcc s PRO 14 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2wcc s PRO 14 CO 0.54 -1.04 0.00 0.09 0.04 0.00 0.00 177.00 176.64 2wcc n ASN 15 N -1.67 -3.71 -3.55 6.66 3.02 -1.26 -4.80 115.26 109.95 2wcc n ASN 15 Ca 0.12 0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.62 2wcc n ASN 15 Cb 0.51 -2.28 -0.14 0.00 -0.61 0.00 0.00 39.78 37.26 2wcc n ASN 15 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wcc s LEU 16 N -2.08 -0.04 0.11 3.41 1.98 -1.19 -2.18 118.68 118.70 2wcc s LEU 16 Ca 0.00 -0.14 0.03 0.00 -2.89 0.00 0.00 54.13 51.13 2wcc s LEU 16 Cb 0.00 0.27 -0.04 0.00 0.66 0.00 0.00 46.19 47.08 2wcc s LEU 16 CO 0.00 -0.31 -0.08 -0.31 -1.89 0.00 0.00 176.35 173.76 2wcc s TYR 17 N 2.29 1.03 -0.07 5.38 2.02 -1.04 -4.66 117.35 122.30 2wcc s TYR 17 Ca 0.05 -0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2wcc s TYR 17 Cb -0.15 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 2wcc s TYR 17 CO -0.10 -0.05 0.01 -1.50 -1.57 0.00 0.00 175.55 172.33 2wcc s ILE 18 N -3.26 4.32 0.09 2.71 -1.16 -1.26 -1.02 121.20 121.63 2wcc s ILE 18 Ca 0.12 -0.30 -0.00 0.00 -0.51 0.00 0.00 60.65 59.95 2wcc s ILE 18 Cb 0.03 -2.84 0.02 0.00 0.61 0.00 0.00 42.46 40.27 2wcc s ILE 18 CO -0.02 0.56 0.13 0.54 -2.81 0.00 0.00 174.94 173.34 2wcc n ARG 19 N 1.99 0.48 0.14 3.50 5.12 -0.46 -4.96 116.66 122.46 2wcc n ARG 19 Ca -0.18 -0.34 0.13 0.00 -1.93 0.00 0.00 57.85 55.53 2wcc n ARG 19 Cb 0.53 -0.09 0.30 0.00 -1.16 0.00 0.00 32.46 32.04 2wcc n ARG 19 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wcc h ASN 20 N -0.09 0.00 -0.16 0.55 2.35 -2.00 -3.17 115.58 113.08 2wcc h ASN 20 Ca -0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2wcc h ASN 20 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2wcc h ASN 20 CO 0.04 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.42 2wcc n ASN 21 N -2.53 0.88 -0.52 5.81 5.03 -1.26 -4.84 115.26 117.83 2wcc n ASN 21 Ca 0.05 -2.01 -0.07 0.00 0.87 0.00 0.00 54.58 53.42 2wcc n ASN 21 Cb 0.47 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 2wcc n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wcc n GLY 22 N 0.72 0.90 3.51 7.41 0.00 -1.20 -5.01 105.19 111.53 2wcc n GLY 22 Ca 0.05 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 2wcc n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wcc s TYR 23 N -2.25 3.04 0.49 1.61 6.14 -1.26 -4.63 117.35 120.48 2wcc s TYR 23 Ca 0.00 -0.28 -0.06 0.00 0.64 0.00 0.00 57.07 57.37 2wcc s TYR 23 Cb 0.00 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.37 2wcc s TYR 23 CO 0.00 -0.03 0.80 0.71 0.64 0.00 0.00 175.55 177.68 2wcc s TYR 24 N 0.37 3.56 0.07 4.97 1.51 -0.99 -1.36 117.35 125.48 2wcc s TYR 24 Ca -0.04 0.86 -0.09 0.00 -1.01 0.00 0.00 57.07 56.80 2wcc s TYR 24 Cb -0.14 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 2wcc s TYR 24 CO 0.03 -0.29 0.19 0.00 -1.11 0.00 0.00 175.55 174.36 2wcc s TYR 26 N -3.30 3.21 -0.17 0.00 5.04 -1.04 -2.49 117.35 118.60 2wcc s TYR 26 Ca 0.01 -0.40 -0.22 0.00 -2.44 0.00 0.00 57.07 54.01 2wcc s TYR 26 Cb 0.02 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2wcc s TYR 26 CO -0.08 -0.42 0.67 0.50 -1.34 0.00 0.00 175.55 174.87 2wcc s ARG 27 N 1.67 4.26 0.22 4.97 3.52 -0.92 -3.44 118.95 129.23 2wcc s ARG 27 Ca 0.05 0.72 -0.28 0.00 -0.13 0.00 0.00 55.73 56.09 2wcc s ARG 27 Cb -0.17 -3.55 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 2wcc s ARG 27 CO 0.09 -0.20 0.89 -0.51 -0.81 0.00 0.00 175.30 174.76 2wcc s ASP 28 N 1.11 7.54 0.16 -2.12 1.11 -0.58 -4.65 116.67 119.23 2wcc s ASP 28 Ca 0.31 1.84 0.24 0.00 0.18 0.00 0.00 52.55 55.12 2wcc s ASP 28 Cb -0.16 -2.57 0.91 0.00 1.07 0.00 0.00 42.92 42.17 2wcc s ASP 28 CO 0.12 0.16 1.73 -0.81 1.18 0.00 0.00 175.17 177.55 2wcc n PRO 29 N 1.44 0.15 0.08 8.23 -0.04 -1.26 0.15 135.00 143.75 2wcc n PRO 29 Ca -0.03 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.66 2wcc n PRO 29 Cb 0.48 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2wcc n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wcc h ARG 30 N 0.00 0.00 0.00 0.54 -0.00 -1.98 -3.41 114.38 109.53 2wcc h ARG 30 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2wcc h ARG 30 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2wcc h ARG 30 CO 0.00 0.59 -0.15 0.25 0.00 0.00 0.00 179.97 180.66 2wcc n THR 31 N -3.17 0.00 -0.18 2.04 -2.24 -1.17 -5.02 114.28 104.55 2wcc n THR 31 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wcc n THR 31 Cb 0.85 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2wcc n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wcc n GLY 32 N 0.72 1.13 3.88 3.38 0.00 0.40 -4.97 105.19 109.74 2wcc n GLY 32 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wcc n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wcc s LYS 33 N -0.54 0.51 0.38 1.61 3.01 -1.26 -4.48 119.74 118.98 2wcc s LYS 33 Ca 0.00 -0.30 -0.13 0.00 -1.01 0.00 0.00 55.97 54.52 2wcc s LYS 33 Cb 0.00 -1.82 0.05 0.00 -1.01 0.00 0.00 37.83 35.04 2wcc s LYS 33 CO 0.00 -2.52 0.74 -1.83 0.51 0.00 0.00 175.35 172.25 2wcc s GLU 34 N -5.79 2.18 0.06 1.68 -1.05 -1.26 -1.53 118.70 113.00 2wcc s GLU 34 Ca 0.72 -1.49 0.02 0.00 -0.15 0.00 0.00 54.97 54.07 2wcc s GLU 34 Cb -0.05 0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 2wcc s GLU 34 CO 0.53 -1.01 -0.07 -0.06 0.95 0.00 0.00 175.26 175.60 2wcc s PHE 35 N -2.44 0.72 0.04 4.83 0.08 -1.22 -4.91 117.98 115.08 2wcc s PHE 35 Ca 0.18 -0.63 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 2wcc s PHE 35 Cb -0.04 -0.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.89 2wcc s PHE 35 CO 0.13 -0.11 1.92 0.20 -0.10 0.00 0.00 175.22 177.25 2wcc s GLY 36 N -2.03 1.45 0.00 4.36 0.00 -1.26 -2.50 107.32 107.34 2wcc s GLY 36 Ca -0.03 1.30 0.00 0.00 0.00 0.00 0.00 44.72 45.99 2wcc s GLY 36 CO -0.01 3.38 0.00 1.04 0.00 0.00 0.00 173.10 177.51 2wcc n LEU 37 N 7.22 0.77 -3.44 0.66 4.77 -0.19 -4.93 117.00 121.86 2wcc n LEU 37 Ca 0.19 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2wcc n LEU 37 Cb 0.41 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2wcc n LEU 37 CO 0.67 -0.27 0.47 -0.83 -1.33 0.00 0.00 177.39 176.10 2wcc s GLY 38 N -1.77 -0.58 0.17 -0.72 0.00 -1.25 -4.93 107.32 98.24 2wcc s GLY 38 Ca 0.00 0.66 0.25 0.00 0.00 0.00 0.00 44.72 45.63 2wcc s GLY 38 CO 0.00 0.25 1.51 3.21 0.00 0.00 0.00 173.10 178.07 2wcc h ARG 39 N 2.06 0.00 -6.32 2.90 -0.00 -1.90 -2.61 114.38 108.50 2wcc h ARG 39 Ca -0.31 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.63 2wcc h ARG 39 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.22 2wcc h ARG 39 CO 0.36 0.00 0.26 -0.51 0.00 0.00 0.00 179.97 180.08 2wcc s ASP 40 N -4.45 7.27 0.05 7.04 1.11 -1.26 -4.82 116.67 121.61 2wcc s ASP 40 Ca 0.08 1.52 -0.28 0.00 0.18 0.00 0.00 52.55 54.06 2wcc s ASP 40 Cb 0.13 -2.51 -0.17 0.00 1.07 0.00 0.00 42.92 41.43 2wcc s ASP 40 CO 0.67 -0.14 1.51 0.08 1.18 0.00 0.00 175.17 178.47 2wcc h ARG 41 N 6.38 -0.50 0.00 8.23 -0.00 -1.96 0.11 114.38 126.63 2wcc h ARG 41 Ca -0.42 0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.59 2wcc h ARG 41 Cb 1.21 0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 31.29 2wcc h ARG 41 CO 0.74 -0.26 -0.03 -0.09 -0.00 0.00 0.00 179.97 180.33 2wcc h ARG 42 N -0.65 0.00 0.17 0.08 2.43 -1.97 0.11 114.38 114.54 2wcc h ARG 42 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2wcc h ARG 42 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wcc h ARG 42 CO 0.09 0.03 -0.08 0.82 -1.51 0.00 0.00 179.97 179.31 2wcc h ILE 43 N 0.00 0.00 -0.84 1.20 1.08 -1.82 -1.07 117.51 116.06 2wcc h ILE 43 Ca -0.00 -0.44 0.04 0.00 -0.39 0.00 0.00 64.86 64.07 2wcc h ILE 43 Cb 0.07 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.76 2wcc h ILE 43 CO 0.00 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 178.00 2wcc h ALA 44 N -1.46 1.12 0.00 1.87 0.00 -0.70 -1.86 119.26 118.23 2wcc h ALA 44 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wcc h ALA 44 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wcc h ALA 44 CO 0.04 0.35 -0.00 0.82 0.00 0.00 0.00 179.25 180.46 2wcc h ILE 45 N 1.03 1.12 -1.00 0.00 2.04 -0.91 -2.63 117.51 117.17 2wcc h ILE 45 Ca 0.34 -0.36 0.18 0.00 1.00 0.00 0.00 64.86 66.02 2wcc h ILE 45 Cb 0.04 1.37 -0.10 0.00 -0.74 0.00 0.00 36.82 37.38 2wcc h ILE 45 CO -0.13 0.09 0.62 0.74 0.00 0.00 0.00 178.15 179.47 2wcc h THR 46 N -0.15 0.75 0.01 -0.27 2.02 -0.73 -1.10 112.91 113.43 2wcc h THR 46 Ca -0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2wcc h THR 46 Cb 0.15 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2wcc h THR 46 CO 0.00 0.15 -0.00 -0.33 0.37 0.00 0.00 175.52 175.70 2wcc h GLU 47 N 0.80 -0.01 -0.59 6.66 4.39 -1.00 -2.53 114.58 122.29 2wcc h GLU 47 Ca 0.56 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.22 2wcc h GLU 47 Cb 0.83 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 2wcc h GLU 47 CO -0.35 0.09 0.22 0.00 -1.16 0.00 0.00 179.01 177.81 2wcc h ALA 48 N 0.88 1.27 -0.48 3.43 0.00 -0.97 -2.72 119.26 120.67 2wcc h ALA 48 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2wcc h ALA 48 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wcc h ALA 48 CO 0.00 0.53 0.27 0.82 0.00 0.00 0.00 179.25 180.87 2wcc h ILE 49 N 0.86 1.17 -0.03 0.00 5.03 -1.05 -0.29 117.51 123.19 2wcc h ILE 49 Ca 0.20 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 2wcc h ILE 49 Cb 0.20 0.57 -0.00 0.00 -3.03 0.00 0.00 36.82 34.56 2wcc h ILE 49 CO -0.01 0.18 0.02 1.56 -0.68 0.00 0.00 178.15 179.21 2wcc h GLN 50 N 0.64 0.04 -0.95 2.37 4.20 -1.20 -1.92 115.11 118.28 2wcc h GLN 50 Ca 0.17 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.92 2wcc h GLN 50 Cb 0.04 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 2wcc h GLN 50 CO -0.03 0.05 0.62 0.00 -0.67 0.00 0.00 178.83 178.80 2wcc h ALA 51 N 0.99 1.42 -0.02 3.87 0.00 -1.29 0.13 119.26 124.36 2wcc h ALA 51 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wcc h ALA 51 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2wcc h ALA 51 CO -0.00 0.46 0.01 -0.91 0.00 0.00 0.00 179.25 178.81 2wcc h ASN 52 N 1.15 0.00 -0.04 0.00 2.35 -0.36 0.23 115.58 118.91 2wcc h ASN 52 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2wcc h ASN 52 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2wcc h ASN 52 CO -0.13 0.00 0.01 0.40 -1.65 0.00 0.00 177.43 176.06 2wcc h ILE 53 N 0.00 1.17 -0.47 2.81 1.08 -0.01 0.17 117.51 122.27 2wcc h ILE 53 Ca 0.01 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.91 2wcc h ILE 53 Cb 0.04 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 2wcc h ILE 53 CO -0.00 0.14 0.09 -0.33 -0.69 0.00 0.00 178.15 177.37 2wcc h GLU 54 N -0.14 0.76 -0.97 2.37 5.08 -1.09 1.24 114.58 121.83 2wcc h GLU 54 Ca 0.01 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2wcc h GLU 54 Cb 0.22 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2wcc h GLU 54 CO -0.00 0.76 0.64 -0.07 -1.00 0.00 0.00 179.01 179.34 2wcc h LEU 55 N 0.63 1.04 -2.43 1.33 3.38 -0.36 -2.01 115.31 116.89 2wcc h LEU 55 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wcc h LEU 55 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wcc h LEU 55 CO 0.01 0.70 0.00 0.49 0.09 0.00 0.00 178.44 179.72 2wcc n PHE 56 N -4.46 0.57 -0.20 1.13 3.72 0.59 -4.50 117.46 114.30 2wcc n PHE 56 Ca 0.14 -0.32 0.31 0.00 -0.05 0.00 0.00 57.45 57.52 2wcc n PHE 56 Cb 0.13 -0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.37 2wcc n PHE 56 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wcc h SER 57 N 4.00 0.00 -3.99 4.37 0.87 0.23 -3.20 113.55 115.84 2wcc h SER 57 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 2wcc h SER 57 Cb 0.93 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 62.50 2wcc h SER 57 CO 0.00 0.00 -0.57 -0.83 -0.53 0.00 0.00 176.83 174.90 2wcc s GLY 58 N -3.86 2.26 0.21 5.77 0.00 -1.26 -5.06 107.32 105.38 2wcc s GLY 58 Ca -0.04 -2.97 -0.03 0.00 0.00 0.00 0.00 44.72 41.68 2wcc s GLY 58 CO 0.69 1.02 0.32 1.42 0.00 0.00 0.00 173.10 176.56 2wcc n HIS 59 N 3.74 -1.20 -2.25 1.90 -0.00 -1.21 -5.11 115.22 111.09 2wcc n HIS 59 Ca 0.04 -1.31 -0.42 0.00 -0.00 0.00 0.00 57.72 56.03 2wcc n HIS 59 Cb 0.38 0.37 -0.03 0.00 -0.00 0.00 0.00 29.99 30.71 2wcc n HIS 59 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2wcc s LYS 60 N -2.37 4.24 0.00 -0.41 1.02 -1.26 -4.82 119.74 116.14 2wcc s LYS 60 Ca 0.15 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.04 2wcc s LYS 60 Cb -0.01 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2wcc s LYS 60 CO 0.11 -0.68 0.00 -2.39 -0.92 0.00 0.00 175.35 171.47 2wcc n HIS 61 N 6.26 0.00 -0.05 3.18 1.44 -1.26 -4.84 115.22 119.95 2wcc n HIS 61 Ca 0.14 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.71 2wcc n HIS 61 Cb 0.44 0.02 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 2wcc n HIS 61 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2wcc h LYS 62 N 0.00 0.05 -6.42 -1.40 1.63 -2.07 -3.43 116.57 104.92 2wcc h LYS 62 Ca 0.00 -0.07 -0.54 0.00 -0.85 0.00 0.00 60.65 59.19 2wcc h LYS 62 Cb 0.72 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2wcc h LYS 62 CO 0.00 1.00 0.44 -1.25 -3.45 0.00 0.00 179.45 176.19 2wcc s PRO 63 N -2.39 4.51 0.00 1.90 0.04 -1.26 -5.33 135.00 132.47 2wcc s PRO 63 Ca -0.18 1.52 0.29 0.00 0.04 0.00 0.00 61.00 62.67 2wcc s PRO 63 Cb -0.02 -3.44 1.71 0.00 0.04 0.00 0.00 34.50 32.79 2wcc s PRO 63 CO 0.71 -0.13 2.05 1.28 0.04 0.00 0.00 177.00 180.94