#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmr n SER 2 N 0.00 -3.06 -0.04 0.00 7.64 -1.26 -4.95 113.62 111.95 2fmr n SER 2 Ca 0.00 -0.43 -0.07 0.00 1.01 0.00 0.00 58.87 59.38 2fmr n SER 2 Cb 0.00 -0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 62.17 2fmr n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2fmr n ARG 3 N -2.93 0.65 -3.91 1.43 0.63 -1.26 -4.80 116.66 106.47 2fmr n ARG 3 Ca 0.06 0.17 -0.30 0.00 -0.92 0.00 0.00 57.85 56.86 2fmr n ARG 3 Cb 0.48 -1.69 -0.15 0.00 0.45 0.00 0.00 32.46 31.54 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2fmr s PHE 4 N -2.63 2.39 0.25 -0.14 0.08 -1.12 -5.08 117.98 111.74 2fmr s PHE 4 Ca -0.06 -1.87 0.03 0.00 0.12 0.00 0.00 56.93 55.15 2fmr s PHE 4 Cb 0.08 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2fmr s PHE 4 CO 0.83 -0.80 0.04 -3.38 -0.10 0.00 0.00 175.22 171.80 2fmr s HIS 5 N 1.39 1.59 -0.02 0.36 -3.43 -1.26 -2.72 115.29 111.21 2fmr s HIS 5 Ca -0.01 -1.02 -0.06 0.00 -0.80 0.00 0.00 55.06 53.17 2fmr s HIS 5 Cb -0.19 -0.95 0.00 0.00 -1.43 0.00 0.00 32.58 30.02 2fmr s HIS 5 CO -0.09 -0.14 0.14 -2.00 -2.00 0.00 0.00 174.74 170.64 2fmr s GLU 6 N -3.93 0.38 -0.15 -0.38 2.56 -1.12 -5.01 118.70 111.06 2fmr s GLU 6 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.08 2fmr s GLU 6 Cb 0.07 0.16 0.03 0.00 2.00 0.00 0.00 34.13 36.39 2fmr s GLU 6 CO 0.11 -0.08 -0.10 1.14 -0.56 0.00 0.00 175.26 175.77 2fmr s GLN 7 N -0.93 1.88 0.01 4.30 -2.07 -1.26 -2.35 119.66 119.25 2fmr s GLN 7 Ca -0.10 -0.49 -0.15 0.00 -1.82 0.00 0.00 55.36 52.80 2fmr s GLN 7 Cb -0.06 -1.96 0.02 0.00 -1.09 0.00 0.00 33.01 29.93 2fmr s GLN 7 CO 0.01 -0.30 0.31 -0.59 -1.32 0.00 0.00 175.29 173.40 2fmr s PHE 8 N 1.57 -0.16 0.46 9.60 -0.71 -0.80 -4.89 117.98 123.06 2fmr s PHE 8 Ca 0.04 0.15 -0.07 0.00 -1.04 0.00 0.00 56.93 56.01 2fmr s PHE 8 Cb -0.13 0.10 0.10 0.00 -1.21 0.00 0.00 43.02 41.88 2fmr s PHE 8 CO -0.09 -0.45 0.62 0.44 -1.34 0.00 0.00 175.22 174.41 2fmr n ILE 9 N 0.96 0.00 -2.87 -4.49 -5.35 -1.26 0.75 119.36 107.09 2fmr n ILE 9 Ca -0.20 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 61.66 2fmr n ILE 9 Cb 0.57 -1.69 0.01 0.00 -1.74 0.00 0.00 39.64 36.79 2fmr n ILE 9 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2fmr n VAL 10 N -2.79 -0.21 -0.98 7.28 0.24 -1.26 -4.79 118.33 115.82 2fmr n VAL 10 Ca 0.08 -1.99 0.00 0.00 -2.04 0.00 0.00 64.34 60.39 2fmr n VAL 10 Cb 0.28 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 2fmr n VAL 10 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2fmr n ARG 11 N 1.94 0.00 -0.05 7.34 3.00 -1.26 -1.63 116.66 125.99 2fmr n ARG 11 Ca 0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.94 2fmr n ARG 11 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.95 2fmr n ARG 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2fmr n GLU 12 N -0.32 1.86 -0.03 5.56 2.13 -1.26 -3.87 120.64 124.71 2fmr n GLU 12 Ca 0.00 -0.02 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 2fmr n GLU 12 Cb 0.00 -1.31 -0.10 0.00 0.27 0.00 0.00 31.44 30.30 2fmr n GLU 12 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2fmr h ASP 13 N 0.00 -0.04 -0.77 4.31 3.58 -2.03 -3.30 116.42 118.17 2fmr h ASP 13 Ca -0.29 -0.65 -0.34 0.00 0.42 0.00 0.00 57.03 56.17 2fmr h ASP 13 Cb 1.61 0.01 -0.20 0.00 1.72 0.00 0.00 39.33 42.47 2fmr h ASP 13 CO 0.02 0.70 0.43 0.18 -2.88 0.00 0.00 179.24 177.69 2fmr n LEU 14 N -4.75 5.95 0.30 2.28 4.32 -1.26 -4.52 117.00 119.31 2fmr n LEU 14 Ca -0.08 -3.14 -0.14 0.00 -0.02 0.00 0.00 56.01 52.63 2fmr n LEU 14 Cb 0.34 -0.76 -0.07 0.00 -1.62 0.00 0.00 43.42 41.30 2fmr n LEU 14 CO 0.28 0.88 0.43 -0.03 -1.22 0.00 0.00 177.39 177.73 2fmr h MET 15 N 1.48 -0.76 0.00 3.23 4.05 -1.39 -3.45 114.93 118.10 2fmr h MET 15 Ca 0.42 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 2fmr h MET 15 Cb 2.41 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 33.39 2fmr h MET 15 CO 0.83 -0.45 0.00 0.41 0.23 0.00 0.00 176.91 177.92 2fmr n GLY 16 N -0.54 -1.80 2.62 1.39 0.00 -1.26 -4.86 105.19 100.75 2fmr n GLY 16 Ca -0.11 0.77 -0.28 0.00 0.00 0.00 0.00 46.02 46.40 2fmr n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fmr s LEU 17 N 0.00 2.85 -0.27 0.99 1.02 -1.26 -5.07 118.68 116.93 2fmr s LEU 17 Ca 0.00 -3.30 -0.22 0.00 0.02 0.00 0.00 54.13 50.62 2fmr s LEU 17 Cb 0.00 -0.96 0.08 0.00 0.02 0.00 0.00 46.19 45.33 2fmr s LEU 17 CO 0.00 -0.15 0.76 0.00 0.02 0.00 0.00 176.35 176.98 2fmr s ALA 18 N -0.47 -1.85 -0.82 4.21 0.00 -1.26 -5.06 121.76 116.52 2fmr s ALA 18 Ca 0.28 2.12 -0.01 0.00 0.00 0.00 0.00 51.96 54.34 2fmr s ALA 18 Cb -0.03 -1.29 0.20 0.00 0.00 0.00 0.00 23.12 22.00 2fmr s ALA 18 CO -0.16 -0.34 0.68 0.42 0.00 0.00 0.00 175.76 176.37 2fmr s ILE 19 N 0.70 4.10 0.19 0.00 -1.09 -1.26 -4.95 121.20 118.90 2fmr s ILE 19 Ca -0.02 -3.70 0.00 0.00 -2.23 0.00 0.00 60.65 54.70 2fmr s ILE 19 Cb -0.05 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2fmr s ILE 19 CO -0.06 -1.03 0.00 0.61 -1.23 0.00 0.00 174.94 173.23 2fmr n GLY 20 N 2.56 -5.48 0.72 6.18 0.00 -1.26 -5.02 105.19 102.89 2fmr n GLY 20 Ca 0.18 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2fmr n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fmr n THR 21 N 1.92 0.50 0.00 2.61 -1.04 -1.26 -5.10 114.28 111.91 2fmr n THR 21 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2fmr n THR 21 Cb 0.00 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 2fmr n THR 21 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2fmr n HIS 22 N -3.41 0.00 -0.11 -1.42 -0.00 -1.26 -4.98 115.22 104.05 2fmr n HIS 22 Ca -0.18 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.87 2fmr n HIS 22 Cb 0.63 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.38 2fmr n HIS 22 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2fmr n GLY 23 N 0.00 -0.53 1.35 1.57 0.00 -1.26 -5.11 105.19 101.20 2fmr n GLY 23 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2fmr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fmr n ALA 24 N -2.98 -2.12 0.16 4.61 0.00 -1.26 -4.59 120.51 114.33 2fmr n ALA 24 Ca -0.36 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2fmr n ALA 24 Cb 0.99 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 19.35 2fmr n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2fmr h ASN 25 N 1.90 0.00 -0.46 0.00 2.35 -2.00 -3.28 115.58 114.09 2fmr h ASN 25 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2fmr h ASN 25 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2fmr h ASN 25 CO 0.00 0.40 0.18 0.40 -1.65 0.00 0.00 177.43 176.76 2fmr h ILE 26 N 0.00 0.87 -0.35 2.81 5.03 -1.88 -1.55 117.51 122.45 2fmr h ILE 26 Ca -0.00 -0.12 -0.07 0.00 -0.12 0.00 0.00 64.86 64.54 2fmr h ILE 26 Cb 1.21 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.47 2fmr h ILE 26 CO 0.05 0.07 -0.10 -0.61 -0.68 0.00 0.00 178.15 176.88 2fmr h GLN 27 N 0.36 0.59 -0.40 2.37 5.75 -1.81 -2.57 115.11 119.40 2fmr h GLN 27 Ca 0.21 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 2fmr h GLN 27 Cb 0.20 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2fmr h GLN 27 CO -0.20 0.68 0.11 1.96 -2.65 0.00 0.00 178.83 178.72 2fmr h GLN 28 N 0.55 0.24 -0.10 1.69 1.08 -1.37 0.57 115.11 117.76 2fmr h GLN 28 Ca 0.10 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 2fmr h GLN 28 Cb 0.50 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2fmr h GLN 28 CO 0.03 0.16 -0.32 0.00 -0.95 0.00 0.00 178.83 177.75 2fmr h ALA 29 N 1.29 1.28 -0.13 3.87 0.00 -1.28 -2.69 119.26 121.59 2fmr h ALA 29 Ca 0.19 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2fmr h ALA 29 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2fmr h ALA 29 CO -0.23 0.50 -0.67 -0.09 0.00 0.00 0.00 179.25 178.76 2fmr h ARG 30 N 0.17 0.53 -0.51 0.00 2.43 -0.78 -3.04 114.38 113.18 2fmr h ARG 30 Ca 0.02 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 2fmr h ARG 30 Cb 0.66 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2fmr h ARG 30 CO 0.05 1.02 0.34 0.87 -1.51 0.00 0.00 179.97 180.74 2fmr h LYS 31 N 0.38 0.53 -6.27 0.20 1.79 0.42 -3.42 116.57 110.20 2fmr h LYS 31 Ca -0.02 -0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.76 2fmr h LYS 31 Cb 1.24 -0.12 0.03 0.00 -1.58 0.00 0.00 32.23 31.80 2fmr h LYS 31 CO 0.12 0.35 0.92 0.28 -1.08 0.00 0.00 179.45 180.04 2fmr n VAL 32 N -4.47 0.34 -2.38 0.50 0.31 -1.15 -4.86 118.33 106.61 2fmr n VAL 32 Ca 0.06 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2fmr n VAL 32 Cb 0.17 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 2fmr n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2fmr s PRO 33 N 3.04 3.04 0.00 5.55 0.04 -1.26 -3.82 135.00 141.58 2fmr s PRO 33 Ca 0.92 0.08 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2fmr s PRO 33 Cb -0.84 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 29.47 2fmr s PRO 33 CO 0.53 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2fmr n GLY 34 N 5.46 0.69 3.29 0.56 0.00 -1.26 -4.98 105.19 108.94 2fmr n GLY 34 Ca 0.09 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2fmr n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fmr n VAL 35 N 0.00 0.00 -0.02 1.61 0.24 -1.25 -2.92 118.33 115.99 2fmr n VAL 35 Ca 0.00 -0.29 -0.03 0.00 -2.04 0.00 0.00 64.34 61.98 2fmr n VAL 35 Cb 0.00 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.58 2fmr n VAL 35 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2fmr n THR 36 N -4.86 0.22 -3.67 3.34 -1.04 0.48 -4.67 114.28 104.08 2fmr n THR 36 Ca 0.04 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2fmr n THR 36 Cb 0.56 -0.75 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 2fmr n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fmr s ALA 37 N -2.08 -2.10 0.01 2.41 0.00 -1.17 -5.00 121.76 113.84 2fmr s ALA 37 Ca -0.05 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2fmr s ALA 37 Cb 0.01 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2fmr s ALA 37 CO 0.08 -1.06 -0.04 -1.50 0.00 0.00 0.00 175.76 173.25 2fmr s ILE 38 N -2.60 0.25 0.20 0.00 2.07 -1.26 -1.44 121.20 118.42 2fmr s ILE 38 Ca 0.15 -0.53 -0.22 0.00 -1.41 0.00 0.00 60.65 58.63 2fmr s ILE 38 Cb 0.03 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.38 2fmr s ILE 38 CO -0.02 -0.19 0.65 -0.62 -1.91 0.00 0.00 174.94 172.85 2fmr s ASP 39 N -0.76 -0.45 0.12 4.50 2.15 -1.09 -5.06 116.67 116.07 2fmr s ASP 39 Ca -0.06 -0.22 0.11 0.00 0.43 0.00 0.00 52.55 52.81 2fmr s ASP 39 Cb -0.05 0.64 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2fmr s ASP 39 CO -0.00 -1.10 -0.27 -0.22 -0.17 0.00 0.00 175.17 173.41 2fmr s LEU 40 N -2.81 2.31 0.05 -1.34 2.96 -1.26 -2.12 118.68 116.47 2fmr s LEU 40 Ca 0.05 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.32 2fmr s LEU 40 Cb -0.03 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2fmr s LEU 40 CO -0.06 0.19 -0.24 -1.81 -1.32 0.00 0.00 176.35 173.12 2fmr s ASP 41 N -1.95 2.85 -0.21 3.68 1.01 -1.19 -4.99 116.67 115.87 2fmr s ASP 41 Ca 0.14 -0.57 0.03 0.00 0.71 0.00 0.00 52.55 52.85 2fmr s ASP 41 Cb -0.10 -0.24 -0.15 0.00 1.01 0.00 0.00 42.92 43.44 2fmr s ASP 41 CO 0.06 0.21 -0.18 -0.62 0.21 0.00 0.00 175.17 174.85 2fmr n GLU 42 N 1.75 0.59 0.32 8.23 1.02 -1.26 -3.03 120.64 128.26 2fmr n GLU 42 Ca -0.17 0.12 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 2fmr n GLU 42 Cb 0.53 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 2fmr n GLU 42 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2fmr h ASP 43 N 0.00 -0.94 1.85 1.62 1.82 -1.99 -2.81 116.42 115.96 2fmr h ASP 43 Ca -0.48 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.21 2fmr h ASP 43 Cb 1.77 0.28 -0.00 0.00 0.68 0.00 0.00 39.33 42.06 2fmr h ASP 43 CO -0.07 -0.56 -0.16 0.00 -1.61 0.00 0.00 179.24 176.84 2fmr h THR 44 N -0.89 0.04 -5.45 2.25 1.03 -2.01 -3.49 112.91 104.40 2fmr h THR 44 Ca -0.07 -1.06 -0.04 0.00 -0.01 0.00 0.00 66.41 65.24 2fmr h THR 44 Cb 0.73 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.77 2fmr h THR 44 CO 0.05 0.02 -0.81 0.00 -0.01 0.00 0.00 175.52 174.77 2fmr n THR 46 N 0.26 0.00 -5.11 0.00 5.66 -1.17 -4.75 114.28 109.17 2fmr n THR 46 Ca 0.04 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.72 2fmr n THR 46 Cb 0.30 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.93 2fmr n THR 46 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2fmr s PHE 47 N -4.62 2.55 -0.12 1.09 2.19 0.23 -3.17 117.98 116.13 2fmr s PHE 47 Ca 0.00 -0.59 0.02 0.00 0.33 0.00 0.00 56.93 56.70 2fmr s PHE 47 Cb 0.00 -1.64 -0.00 0.00 -1.31 0.00 0.00 43.02 40.07 2fmr s PHE 47 CO 0.00 -0.13 -0.20 -1.01 1.83 0.00 0.00 175.22 175.71 2fmr s HIS 48 N -0.21 2.67 -0.05 10.12 3.76 -0.90 -1.90 115.29 128.77 2fmr s HIS 48 Ca -0.01 -1.03 0.06 0.00 -0.15 0.00 0.00 55.06 53.93 2fmr s HIS 48 Cb -0.13 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 2fmr s HIS 48 CO 0.03 -0.43 -0.24 0.42 -0.85 0.00 0.00 174.74 173.67 2fmr s ILE 49 N 0.51 1.96 -0.07 0.60 -1.09 -0.99 -2.67 121.20 119.46 2fmr s ILE 49 Ca -0.13 -1.02 0.06 0.00 -2.23 0.00 0.00 60.65 57.32 2fmr s ILE 49 Cb -0.17 -1.65 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 2fmr s ILE 49 CO 0.05 0.55 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.75 2fmr s TYR 50 N -0.22 2.47 -0.25 3.97 2.02 -0.52 -2.80 117.35 122.02 2fmr s TYR 50 Ca -0.01 -0.75 -0.26 0.00 -0.37 0.00 0.00 57.07 55.68 2fmr s TYR 50 Cb -0.13 -1.62 0.12 0.00 -0.40 0.00 0.00 41.96 39.93 2fmr s TYR 50 CO 0.03 -0.23 0.98 0.20 -1.57 0.00 0.00 175.55 174.96 2fmr s GLY 51 N -0.09 -0.22 0.43 0.71 0.00 -1.10 0.18 107.32 107.22 2fmr s GLY 51 Ca -0.06 2.47 0.26 0.00 0.00 0.00 0.00 44.72 47.39 2fmr s GLY 51 CO 0.04 1.68 1.71 0.83 0.00 0.00 0.00 173.10 177.36 2fmr h GLU 52 N 3.99 0.00 -4.91 2.90 5.08 -1.76 -2.96 114.58 116.93 2fmr h GLU 52 Ca -0.27 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.42 2fmr h GLU 52 Cb 1.17 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.09 2fmr h GLU 52 CO 0.14 0.00 -0.76 -0.51 -1.00 0.00 0.00 179.01 176.88 2fmr s ASP 53 N -5.83 4.24 0.18 1.42 1.01 -1.26 -4.65 116.67 111.78 2fmr s ASP 53 Ca 0.06 -0.94 -0.16 0.00 0.71 0.00 0.00 52.55 52.22 2fmr s ASP 53 Cb 0.07 -1.63 0.14 0.00 1.01 0.00 0.00 42.92 42.50 2fmr s ASP 53 CO 0.63 -0.13 1.65 -0.61 0.21 0.00 0.00 175.17 176.91 2fmr h GLN 54 N 7.97 -0.02 -0.97 8.23 4.15 -1.86 0.16 115.11 132.76 2fmr h GLN 54 Ca -0.32 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.26 2fmr h GLN 54 Cb 1.10 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.70 2fmr h GLN 54 CO 0.56 -0.02 0.58 -0.44 -1.93 0.00 0.00 178.83 177.59 2fmr h ASP 55 N -0.03 0.78 -0.26 -0.69 3.32 -1.98 0.27 116.42 117.84 2fmr h ASP 55 Ca 0.23 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 2fmr h ASP 55 Cb 0.37 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2fmr h ASP 55 CO -0.50 0.34 -0.53 0.00 -1.72 0.00 0.00 179.24 176.83 2fmr h ALA 56 N 1.59 0.50 -0.39 3.45 0.00 -1.30 -2.99 119.26 120.12 2fmr h ALA 56 Ca 0.53 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2fmr h ALA 56 Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2fmr h ALA 56 CO -0.34 0.68 -0.09 0.28 0.00 0.00 0.00 179.25 179.79 2fmr h VAL 57 N 0.66 1.24 -0.25 0.00 2.07 0.92 -2.47 116.25 118.42 2fmr h VAL 57 Ca 0.02 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2fmr h VAL 57 Cb 1.13 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2fmr h VAL 57 CO 0.12 0.36 -0.02 0.11 0.02 0.00 0.00 177.57 178.16 2fmr h LYS 58 N 0.62 0.37 -0.49 1.57 1.57 -0.47 -2.32 116.57 117.42 2fmr h LYS 58 Ca 0.11 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2fmr h LYS 58 Cb 0.52 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2fmr h LYS 58 CO 0.03 0.41 -0.11 0.87 -0.57 0.00 0.00 179.45 180.08 2fmr h LYS 59 N 0.36 0.92 0.60 3.15 1.57 -1.30 -2.78 116.57 119.08 2fmr h LYS 59 Ca 0.08 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2fmr h LYS 59 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2fmr h LYS 59 CO 0.01 0.98 -0.48 0.00 -0.57 0.00 0.00 179.45 179.38 2fmr h ALA 60 N 1.04 -1.15 -0.29 3.86 0.00 -1.27 -1.26 119.26 120.19 2fmr h ALA 60 Ca 0.13 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2fmr h ALA 60 Cb 0.65 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2fmr h ALA 60 CO 0.04 -1.17 0.33 0.07 0.00 0.00 0.00 179.25 178.52 2fmr h ARG 61 N -1.06 0.00 -0.37 0.00 0.11 -1.54 0.19 114.38 111.71 2fmr h ARG 61 Ca -0.07 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 2fmr h ARG 61 Cb 0.89 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 2fmr h ARG 61 CO 0.00 0.00 0.05 1.03 0.10 0.00 0.00 179.97 181.15 2fmr h SER 62 N 0.00 0.51 0.63 0.08 0.87 -0.94 -2.72 113.55 111.98 2fmr h SER 62 Ca 0.14 -0.08 -0.25 0.00 -1.23 0.00 0.00 61.79 60.36 2fmr h SER 62 Cb 0.79 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 2fmr h SER 62 CO -0.00 0.55 -1.52 -0.26 -0.53 0.00 0.00 176.83 175.06 2fmr h PHE 63 N 0.54 0.00 -0.86 2.24 0.04 -0.46 -3.37 116.94 115.06 2fmr h PHE 63 Ca 0.12 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.34 2fmr h PHE 63 Cb 0.27 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.29 2fmr h PHE 63 CO 0.01 0.90 1.23 1.28 -0.60 0.00 0.00 178.31 181.13 2fmr n LEU 64 N -3.06 7.01 0.00 1.54 4.77 -0.62 -4.84 117.00 121.80 2fmr n LEU 64 Ca -0.13 -4.24 0.10 0.00 -0.03 0.00 0.00 56.01 51.72 2fmr n LEU 64 Cb 0.99 -1.33 0.60 0.00 -2.33 0.00 0.00 43.42 41.35 2fmr n LEU 64 CO 0.45 1.86 0.80 -0.62 -1.33 0.00 0.00 177.39 178.55