#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmr s SER 2 N 0.00 2.82 0.24 0.00 0.01 -1.26 -4.54 113.70 110.97 2fmr s SER 2 Ca 0.00 -1.98 0.25 0.00 1.31 0.00 0.00 55.95 55.53 2fmr s SER 2 Cb 0.00 -0.27 0.60 0.00 0.21 0.00 0.00 66.02 66.56 2fmr s SER 2 CO 0.00 -0.32 1.63 0.03 0.41 0.00 0.00 173.24 174.99 2fmr h ARG 3 N 7.22 0.00 -5.50 12.44 3.08 -1.94 -3.44 114.38 126.24 2fmr h ARG 3 Ca 0.02 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 2fmr h ARG 3 Cb 0.99 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.71 2fmr h ARG 3 CO 0.28 0.00 -0.87 -0.06 -1.07 0.00 0.00 179.97 178.24 2fmr s PHE 4 N -3.15 2.38 0.06 3.04 0.08 -1.11 -5.05 117.98 114.24 2fmr s PHE 4 Ca 0.09 -0.87 -0.16 0.00 0.12 0.00 0.00 56.93 56.10 2fmr s PHE 4 Cb 0.11 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2fmr s PHE 4 CO 0.64 -0.33 0.37 -3.38 -0.10 0.00 0.00 175.22 172.43 2fmr s HIS 5 N 0.18 -0.20 0.08 0.36 -3.43 -1.26 -1.65 115.29 109.37 2fmr s HIS 5 Ca -0.13 0.07 0.06 0.00 -0.80 0.00 0.00 55.06 54.26 2fmr s HIS 5 Cb -0.16 0.18 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 2fmr s HIS 5 CO 0.06 -0.58 -0.15 -2.00 -2.00 0.00 0.00 174.74 170.07 2fmr s GLU 6 N -2.79 0.89 0.07 -0.38 2.12 -1.11 -4.97 118.70 112.53 2fmr s GLU 6 Ca -0.03 -1.01 0.05 0.00 0.36 0.00 0.00 54.97 54.34 2fmr s GLU 6 Cb -0.00 -0.94 -0.03 0.00 0.26 0.00 0.00 34.13 33.42 2fmr s GLU 6 CO -0.05 0.21 -0.15 -0.65 -0.54 0.00 0.00 175.26 174.08 2fmr s GLN 7 N -1.84 0.87 -0.30 4.30 1.11 -1.26 -2.22 119.66 120.33 2fmr s GLN 7 Ca 0.00 -0.96 -0.18 0.00 0.01 0.00 0.00 55.36 54.24 2fmr s GLN 7 Cb -0.10 -0.92 0.19 0.00 -1.01 0.00 0.00 33.01 31.17 2fmr s GLN 7 CO 0.03 0.21 1.21 -0.59 0.01 0.00 0.00 175.29 176.15 2fmr s PHE 8 N -1.20 -0.21 1.20 0.91 -0.71 -1.03 -4.97 117.98 111.97 2fmr s PHE 8 Ca -0.00 0.44 -0.14 0.00 -1.04 0.00 0.00 56.93 56.19 2fmr s PHE 8 Cb -0.10 0.21 0.29 0.00 -1.21 0.00 0.00 43.02 42.21 2fmr s PHE 8 CO 0.02 -0.11 0.91 0.44 -1.34 0.00 0.00 175.22 175.15 2fmr n ILE 9 N 2.92 0.00 -3.40 -4.49 -5.35 -1.26 -2.09 119.36 105.69 2fmr n ILE 9 Ca -0.16 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.70 2fmr n ILE 9 Cb 0.57 -0.96 -0.10 0.00 -1.74 0.00 0.00 39.64 37.41 2fmr n ILE 9 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2fmr s VAL 10 N -2.36 -0.46 0.65 7.28 -7.23 -1.26 -4.78 120.40 112.24 2fmr s VAL 10 Ca 0.68 -0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 60.42 2fmr s VAL 10 Cb -0.24 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 2fmr s VAL 10 CO 0.66 -0.29 0.88 0.54 -0.31 0.00 0.00 175.10 176.58 2fmr n ARG 11 N 5.33 0.66 -0.25 4.82 3.00 -1.26 -4.64 116.66 124.32 2fmr n ARG 11 Ca -0.03 0.27 0.03 0.00 -0.01 0.00 0.00 57.85 58.11 2fmr n ARG 11 Cb 0.48 -2.11 0.27 0.00 0.00 0.00 0.00 32.46 31.10 2fmr n ARG 11 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2fmr h GLU 12 N 0.11 0.94 -0.07 5.56 4.22 -2.01 0.24 114.58 123.57 2fmr h GLU 12 Ca -0.48 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 58.85 2fmr h GLU 12 Cb 1.36 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2fmr h GLU 12 CO 0.48 0.62 -0.21 0.22 -2.18 0.00 0.00 179.01 177.94 2fmr h ASP 13 N 0.97 0.11 -0.38 1.04 3.58 -2.05 -2.54 116.42 117.13 2fmr h ASP 13 Ca 0.33 -0.02 -0.22 0.00 0.42 0.00 0.00 57.03 57.54 2fmr h ASP 13 Cb 0.10 -0.03 -0.13 0.00 1.72 0.00 0.00 39.33 40.99 2fmr h ASP 13 CO -0.10 0.32 -0.14 0.18 -2.88 0.00 0.00 179.24 176.62 2fmr n LEU 14 N -4.25 4.24 -0.36 2.28 4.32 -0.14 -4.72 117.00 118.37 2fmr n LEU 14 Ca -0.02 -3.91 0.08 0.00 -0.02 0.00 0.00 56.01 52.14 2fmr n LEU 14 Cb 0.30 -0.62 0.25 0.00 -1.62 0.00 0.00 43.42 41.73 2fmr n LEU 14 CO 0.38 1.37 1.23 -0.03 -1.22 0.00 0.00 177.39 179.12 2fmr h MET 15 N 1.14 0.94 0.00 3.23 4.05 -0.16 -3.42 114.93 120.71 2fmr h MET 15 Ca 0.24 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 2fmr h MET 15 Cb 1.57 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 2fmr h MET 15 CO 0.44 0.62 0.00 0.41 0.23 0.00 0.00 176.91 178.61 2fmr n GLY 16 N -1.35 1.83 2.72 1.39 0.00 -1.26 -5.02 105.19 103.49 2fmr n GLY 16 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 2fmr n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fmr n LEU 17 N 0.00 2.04 -0.52 0.99 7.94 -1.26 -4.82 117.00 121.37 2fmr n LEU 17 Ca 0.00 -3.28 0.06 0.00 -1.11 0.00 0.00 56.01 51.68 2fmr n LEU 17 Cb 0.00 0.36 0.19 0.00 0.53 0.00 0.00 43.42 44.50 2fmr n LEU 17 CO 0.00 1.19 0.46 0.00 -1.11 0.00 0.00 177.39 177.94 2fmr n ALA 18 N -0.60 3.32 -3.03 1.96 0.00 -1.26 -5.04 120.51 115.85 2fmr n ALA 18 Ca 0.12 -3.07 -0.00 0.00 0.00 0.00 0.00 53.44 50.49 2fmr n ALA 18 Cb 0.82 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 2fmr n ALA 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2fmr n ILE 19 N -1.19 -4.63 0.00 0.00 2.08 -1.26 -5.00 119.36 109.36 2fmr n ILE 19 Ca 0.20 0.85 0.00 0.00 0.56 0.00 0.00 62.75 64.35 2fmr n ILE 19 Cb 0.72 -3.95 0.00 0.00 -0.75 0.00 0.00 39.64 35.66 2fmr n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2fmr n GLY 20 N 1.46 -1.19 2.87 7.39 0.00 -1.26 -4.92 105.19 109.54 2fmr n GLY 20 Ca -0.03 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2fmr n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fmr s THR 21 N 0.00 2.37 -0.29 2.61 -4.23 -1.26 -4.92 115.64 109.92 2fmr s THR 21 Ca 0.00 -3.46 -0.02 0.00 -1.18 0.00 0.00 61.69 57.03 2fmr s THR 21 Cb 0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2fmr s THR 21 CO 0.00 -0.90 0.05 1.41 -0.54 0.00 0.00 174.62 174.64 2fmr n HIS 22 N 2.81 -3.55 -0.02 3.99 8.25 -1.26 -4.92 115.22 120.52 2fmr n HIS 22 Ca 0.11 1.56 0.00 0.00 -0.26 0.00 0.00 57.72 59.13 2fmr n HIS 22 Cb 0.34 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 27.76 2fmr n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fmr n GLY 23 N 0.69 -0.20 3.89 -1.41 0.00 -1.26 -5.06 105.19 101.84 2fmr n GLY 23 Ca 0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2fmr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fmr s ALA 24 N -0.33 3.37 0.27 4.61 0.00 -1.26 -4.66 121.76 123.76 2fmr s ALA 24 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 2fmr s ALA 24 Cb 0.00 -2.65 0.36 0.00 0.00 0.00 0.00 23.12 20.83 2fmr s ALA 24 CO 0.00 -0.25 1.92 -0.91 0.00 0.00 0.00 175.76 176.52 2fmr h ASN 25 N 0.57 1.07 -0.49 0.00 4.21 -1.90 -0.34 115.58 118.70 2fmr h ASN 25 Ca -0.47 -0.01 0.12 0.00 1.21 0.00 0.00 56.30 57.15 2fmr h ASN 25 Cb 1.20 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 2fmr h ASN 25 CO 0.62 0.74 0.34 0.40 -1.29 0.00 0.00 177.43 178.25 2fmr h ILE 26 N 1.24 0.80 0.11 2.81 2.04 -1.90 0.22 117.51 122.83 2fmr h ILE 26 Ca 0.39 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 66.01 2fmr h ILE 26 Cb -0.01 0.69 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2fmr h ILE 26 CO -0.12 0.02 -0.98 1.56 0.00 0.00 0.00 178.15 178.64 2fmr h GLN 27 N 0.10 0.23 0.03 2.37 1.08 -1.50 -2.73 115.11 114.69 2fmr h GLN 27 Ca 0.23 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2fmr h GLN 27 Cb 0.79 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2fmr h GLN 27 CO -0.02 1.19 -0.05 1.96 -0.95 0.00 0.00 178.83 180.95 2fmr h GLN 28 N -0.46 -0.10 -0.84 1.46 4.20 -0.37 0.12 115.11 119.12 2fmr h GLN 28 Ca -0.20 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2fmr h GLN 28 Cb 1.60 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.36 2fmr h GLN 28 CO 0.08 -0.07 0.39 0.00 -0.67 0.00 0.00 178.83 178.55 2fmr h ALA 29 N 0.86 1.08 -0.36 3.87 0.00 -0.75 -2.20 119.26 121.76 2fmr h ALA 29 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2fmr h ALA 29 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2fmr h ALA 29 CO -0.04 0.66 0.01 -0.09 0.00 0.00 0.00 179.25 179.79 2fmr h ARG 30 N 1.20 0.57 0.00 0.00 2.43 -1.13 -1.77 114.38 115.68 2fmr h ARG 30 Ca 0.29 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2fmr h ARG 30 Cb 0.14 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2fmr h ARG 30 CO -0.03 0.59 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.56 2fmr h LYS 31 N 0.54 0.00 -6.72 0.20 3.64 -0.15 -3.45 116.57 110.63 2fmr h LYS 31 Ca 0.12 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.93 2fmr h LYS 31 Cb 0.34 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.27 2fmr h LYS 31 CO 0.01 0.23 0.49 0.28 -2.27 0.00 0.00 179.45 178.20 2fmr n VAL 32 N -3.68 1.94 -2.51 2.00 0.31 -0.67 -4.87 118.33 110.85 2fmr n VAL 32 Ca -0.01 -0.48 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 2fmr n VAL 32 Cb 0.35 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 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 -1.77 3.56 0.00 5.55 0.04 -1.26 -3.75 135.00 137.37 2fmr s PRO 33 Ca 0.56 -1.24 0.00 0.00 0.04 0.00 0.00 61.00 60.36 2fmr s PRO 33 Cb -0.58 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 28.59 2fmr s PRO 33 CO 0.61 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2fmr n GLY 34 N 6.54 -0.24 3.64 0.56 0.00 -1.26 -4.94 105.19 109.49 2fmr n GLY 34 Ca 0.37 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 2fmr n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fmr s VAL 35 N 0.00 3.29 0.11 1.61 1.01 -1.25 -1.75 120.40 123.42 2fmr s VAL 35 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2fmr s VAL 35 Cb 0.00 -3.28 -0.23 0.00 0.00 0.00 0.00 36.38 32.87 2fmr s VAL 35 CO 0.00 -0.10 1.24 0.71 0.00 0.00 0.00 175.10 176.94 2fmr h THR 36 N 6.16 1.52 -1.91 3.92 1.35 0.15 -3.47 112.91 120.63 2fmr h THR 36 Ca -0.41 -2.94 -0.03 0.00 -0.55 0.00 0.00 66.41 62.49 2fmr h THR 36 Cb 1.20 2.76 -0.21 0.00 -1.73 0.00 0.00 68.15 70.17 2fmr h THR 36 CO 0.97 0.86 0.23 0.00 -0.25 0.00 0.00 175.52 177.32 2fmr s ALA 37 N -2.87 -1.81 -0.10 6.62 0.00 -0.92 -5.05 121.76 117.63 2fmr s ALA 37 Ca -0.03 1.67 0.04 0.00 0.00 0.00 0.00 51.96 53.63 2fmr s ALA 37 Cb 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2fmr s ALA 37 CO 0.86 -0.34 -0.23 -1.50 0.00 0.00 0.00 175.76 174.55 2fmr s ILE 38 N -0.46 1.98 0.00 0.00 2.07 -1.26 -1.64 121.20 121.89 2fmr s ILE 38 Ca -0.05 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.22 2fmr s ILE 38 Cb -0.02 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.85 2fmr s ILE 38 CO 0.04 0.54 0.00 -0.67 -1.91 0.00 0.00 174.94 172.94 2fmr n ASP 39 N 3.59 0.00 -0.76 4.50 2.03 -0.85 -5.06 116.55 120.01 2fmr n ASP 39 Ca -0.19 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 54.90 2fmr n ASP 39 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2fmr n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fmr n LEU 40 N 0.00 0.00 -4.17 -2.67 -0.00 -1.26 -1.07 117.00 107.83 2fmr n LEU 40 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2fmr n LEU 40 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 2fmr n LEU 40 CO 0.00 0.00 -0.53 -1.81 -0.00 0.00 0.00 177.39 175.05 2fmr s ASP 41 N -0.36 2.64 -0.94 1.45 1.11 0.11 -4.75 116.67 115.92 2fmr s ASP 41 Ca 0.00 -0.46 -0.02 0.00 0.18 0.00 0.00 52.55 52.25 2fmr s ASP 41 Cb 0.00 -1.02 0.31 0.00 1.07 0.00 0.00 42.92 43.28 2fmr s ASP 41 CO 0.00 0.15 1.98 -0.62 1.18 0.00 0.00 175.17 177.86 2fmr n GLU 42 N 3.39 4.14 0.02 8.23 1.02 -1.26 -3.59 120.64 132.59 2fmr n GLU 42 Ca -0.19 -4.03 0.00 0.00 -0.02 0.00 0.00 57.16 52.92 2fmr n GLU 42 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2fmr n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fmr n ASP 43 N -0.14 -0.09 -1.51 1.62 -0.08 -1.26 -4.93 116.55 110.16 2fmr n ASP 43 Ca 0.51 0.06 -0.08 0.00 -1.51 0.00 0.00 54.79 53.77 2fmr n ASP 43 Cb 0.26 0.18 0.22 0.00 2.34 0.00 0.00 41.12 44.11 2fmr n ASP 43 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2fmr n THR 44 N -2.60 2.74 -3.16 5.18 5.66 -1.26 -5.00 114.28 115.83 2fmr n THR 44 Ca 0.00 -2.29 -0.14 0.00 -3.05 0.00 0.00 64.05 58.57 2fmr n THR 44 Cb 0.00 -0.36 0.01 0.00 -1.55 0.00 0.00 70.33 68.44 2fmr n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fmr s THR 46 N -1.50 0.11 -0.08 0.00 2.01 -1.24 -4.57 115.64 110.38 2fmr s THR 46 Ca 0.16 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.31 2fmr s THR 46 Cb -0.02 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2fmr s THR 46 CO 0.53 -0.48 -0.16 0.12 -0.69 0.00 0.00 174.62 173.94 2fmr s PHE 47 N -2.58 2.68 -0.02 4.92 5.36 -0.89 0.05 117.98 127.51 2fmr s PHE 47 Ca -0.05 -0.43 0.08 0.00 -0.96 0.00 0.00 56.93 55.57 2fmr s PHE 47 Cb -0.01 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 2fmr s PHE 47 CO -0.04 -0.03 -0.25 -1.01 -1.46 0.00 0.00 175.22 172.43 2fmr s HIS 48 N -0.26 2.25 -0.09 10.12 3.76 -0.23 -2.45 115.29 128.39 2fmr s HIS 48 Ca 0.01 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 2fmr s HIS 48 Cb -0.13 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.13 2fmr s HIS 48 CO 0.03 -0.03 -0.17 0.42 -0.85 0.00 0.00 174.74 174.13 2fmr s ILE 49 N -0.60 1.55 -0.34 0.60 -1.09 -0.94 -2.00 121.20 118.37 2fmr s ILE 49 Ca 0.10 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2fmr s ILE 49 Cb -0.10 -1.38 0.10 0.00 -1.58 0.00 0.00 42.46 39.51 2fmr s ILE 49 CO -0.01 0.45 0.06 -0.31 -1.23 0.00 0.00 174.94 173.90 2fmr s TYR 50 N 0.59 3.70 0.45 3.97 2.02 -0.65 -2.76 117.35 124.66 2fmr s TYR 50 Ca -0.15 -2.85 0.04 0.00 -0.37 0.00 0.00 57.07 53.74 2fmr s TYR 50 Cb -0.17 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 2fmr s TYR 50 CO 0.05 -0.95 0.02 0.20 -1.57 0.00 0.00 175.55 173.30 2fmr s GLY 51 N 1.06 2.71 -0.43 0.71 0.00 -0.66 0.18 107.32 110.89 2fmr s GLY 51 Ca 0.09 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.51 2fmr s GLY 51 CO -0.07 -2.10 1.36 -1.84 0.00 0.00 0.00 173.10 170.46 2fmr n GLU 52 N -1.07 3.37 -3.31 2.90 0.28 -0.72 -2.74 120.64 119.35 2fmr n GLU 52 Ca -0.11 -4.07 0.02 0.00 -0.16 0.00 0.00 57.16 52.84 2fmr n GLU 52 Cb 0.67 -2.27 -0.04 0.00 1.43 0.00 0.00 31.44 31.23 2fmr n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2fmr s ASP 53 N -3.13 -0.38 0.58 -1.84 1.01 -1.26 -4.94 116.67 106.70 2fmr s ASP 53 Ca 0.53 0.51 0.27 0.00 0.71 0.00 0.00 52.55 54.57 2fmr s ASP 53 Cb 0.43 1.43 1.58 0.00 1.01 0.00 0.00 42.92 47.36 2fmr s ASP 53 CO -0.06 -0.07 2.06 0.06 0.21 0.00 0.00 175.17 177.37 2fmr h GLN 54 N 7.35 0.00 0.02 8.23 3.07 -1.92 0.46 115.11 132.32 2fmr h GLN 54 Ca -0.15 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.39 2fmr h GLN 54 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.66 2fmr h GLN 54 CO 0.07 0.00 -0.95 -0.44 0.09 0.00 0.00 178.83 177.60 2fmr h ASP 55 N 0.00 0.14 0.11 0.06 3.32 -1.98 -2.60 116.42 115.47 2fmr h ASP 55 Ca 0.12 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 2fmr h ASP 55 Cb 0.62 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2fmr h ASP 55 CO -0.00 1.01 -1.04 0.00 -1.72 0.00 0.00 179.24 177.49 2fmr h ALA 56 N 0.98 0.06 -0.30 3.45 0.00 -1.03 -2.82 119.26 119.59 2fmr h ALA 56 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 2fmr h ALA 56 Cb 1.63 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 2fmr h ALA 56 CO 0.14 0.57 0.16 0.28 0.00 0.00 0.00 179.25 180.40 2fmr h VAL 57 N -0.44 1.10 0.02 0.00 2.07 -0.35 0.24 116.25 118.89 2fmr h VAL 57 Ca -0.22 -0.25 -0.21 0.00 0.82 0.00 0.00 66.70 66.84 2fmr h VAL 57 Cb 1.61 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2fmr h VAL 57 CO 0.07 0.11 -0.95 0.11 0.02 0.00 0.00 177.57 176.93 2fmr h LYS 58 N 0.42 0.22 -0.11 1.57 1.79 -1.57 -2.96 116.57 115.93 2fmr h LYS 58 Ca 0.11 -0.26 -0.15 0.00 -2.18 0.00 0.00 60.65 58.17 2fmr h LYS 58 Cb 0.01 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2fmr h LYS 58 CO -0.02 1.01 -0.57 0.87 -1.08 0.00 0.00 179.45 179.66 2fmr h LYS 59 N 0.11 0.34 -0.30 3.15 1.57 -1.02 -2.44 116.57 117.98 2fmr h LYS 59 Ca -0.06 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 2fmr h LYS 59 Cb 1.60 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 2fmr h LYS 59 CO 0.15 0.82 -0.28 0.00 -0.57 0.00 0.00 179.45 179.56 2fmr h ALA 60 N 1.13 0.96 -0.26 3.86 0.00 -0.98 -2.93 119.26 121.04 2fmr h ALA 60 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2fmr h ALA 60 Cb 1.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2fmr h ALA 60 CO 0.09 0.61 -0.22 -0.09 0.00 0.00 0.00 179.25 179.64 2fmr h ARG 61 N 0.52 0.60 -0.57 0.00 1.12 -1.39 -1.00 114.38 113.66 2fmr h ARG 61 Ca 0.07 -0.30 0.14 0.00 -1.11 0.00 0.00 59.98 58.77 2fmr h ARG 61 Cb 0.75 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.69 2fmr h ARG 61 CO 0.06 0.90 0.40 0.77 -3.11 0.00 0.00 179.97 178.98 2fmr h SER 62 N 0.32 0.16 0.92 -3.80 0.02 -1.33 0.10 113.55 109.95 2fmr h SER 62 Ca 0.05 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2fmr h SER 62 Cb 0.77 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 2fmr h SER 62 CO 0.06 0.09 -1.16 -0.26 -1.14 0.00 0.00 176.83 174.42 2fmr h PHE 63 N 0.18 0.00 -0.86 3.45 0.04 -1.33 -3.32 116.94 115.10 2fmr h PHE 63 Ca 0.27 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.52 2fmr h PHE 63 Cb 0.84 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.73 2fmr h PHE 63 CO -0.00 0.57 0.67 1.28 -0.60 0.00 0.00 178.31 180.23 2fmr n LEU 64 N -2.99 6.86 -0.76 1.54 4.77 0.31 -4.80 117.00 121.92 2fmr n LEU 64 Ca -0.06 -3.70 0.09 0.00 -0.03 0.00 0.00 56.01 52.31 2fmr n LEU 64 Cb 0.81 -0.91 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2fmr n LEU 64 CO 0.42 1.21 0.55 -0.62 -1.33 0.00 0.00 177.39 177.62