#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 5.56 -0.02 0.00 0.15 -1.26 -5.04 113.70 113.08 2fmr s SER 2 Ca 0.00 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.36 2fmr s SER 2 Cb 0.00 -0.67 -0.09 0.00 -1.71 0.00 0.00 66.02 63.55 2fmr s SER 2 CO 0.00 -0.86 0.11 0.54 1.20 0.00 0.00 173.24 174.22 2fmr n ARG 3 N -1.97 0.83 -4.57 5.44 1.74 -1.26 -4.97 116.66 111.89 2fmr n ARG 3 Ca 0.08 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 2fmr n ARG 3 Cb 0.59 -1.14 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2fmr s PHE 4 N -2.35 2.64 0.33 -1.55 0.40 -1.10 -5.07 117.98 111.28 2fmr s PHE 4 Ca -0.02 -1.37 0.04 0.00 -0.60 0.00 0.00 56.93 54.97 2fmr s PHE 4 Cb 0.03 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 2fmr s PHE 4 CO 0.24 -0.64 0.35 -3.38 0.70 0.00 0.00 175.22 172.49 2fmr s HIS 5 N 0.90 1.50 -0.20 0.36 -3.43 -1.26 -0.95 115.29 112.21 2fmr s HIS 5 Ca -0.05 -1.53 -0.27 0.00 -0.80 0.00 0.00 55.06 52.41 2fmr s HIS 5 Cb -0.15 -0.49 0.07 0.00 -1.43 0.00 0.00 32.58 30.59 2fmr s HIS 5 CO -0.04 -0.96 0.72 -2.00 -2.00 0.00 0.00 174.74 170.46 2fmr s GLU 6 N -3.32 0.90 -0.04 -0.38 2.12 -1.07 -5.00 118.70 111.91 2fmr s GLU 6 Ca 0.37 0.74 0.06 0.00 0.36 0.00 0.00 54.97 56.51 2fmr s GLU 6 Cb 0.01 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.83 2fmr s GLU 6 CO 0.25 -0.17 -0.24 1.14 -0.54 0.00 0.00 175.26 175.70 2fmr s GLN 7 N -0.14 2.24 -0.25 4.30 -2.07 -1.26 -2.78 119.66 119.71 2fmr s GLN 7 Ca -0.03 -0.85 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2fmr s GLN 7 Cb -0.03 -1.99 0.07 0.00 -1.09 0.00 0.00 33.01 29.97 2fmr s GLN 7 CO 0.04 0.41 0.63 -0.59 -1.32 0.00 0.00 175.29 174.46 2fmr s PHE 8 N -0.28 -0.92 1.28 9.60 -0.71 -1.07 -4.91 117.98 120.97 2fmr s PHE 8 Ca 0.01 1.90 -0.21 0.00 -1.04 0.00 0.00 56.93 57.59 2fmr s PHE 8 Cb -0.12 0.50 0.32 0.00 -1.21 0.00 0.00 43.02 42.51 2fmr s PHE 8 CO 0.02 -0.46 1.07 0.96 -1.34 0.00 0.00 175.22 175.46 2fmr s ILE 9 N 1.37 1.45 -0.03 -4.49 -4.36 -1.26 -1.18 121.20 112.69 2fmr s ILE 9 Ca -0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.12 2fmr s ILE 9 Cb -0.06 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.30 2fmr s ILE 9 CO -0.15 0.00 0.41 0.68 0.24 0.00 0.00 174.94 176.12 2fmr s VAL 10 N -2.83 0.04 0.36 8.37 -7.23 -1.26 -4.80 120.40 113.04 2fmr s VAL 10 Ca 0.71 -0.32 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 2fmr s VAL 10 Cb -0.09 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 2fmr s VAL 10 CO 0.56 -0.17 1.13 -0.13 -0.31 0.00 0.00 175.10 176.18 2fmr s ARG 11 N -1.17 4.26 0.13 4.82 0.52 -1.26 -4.89 118.95 121.36 2fmr s ARG 11 Ca -0.12 1.79 -0.13 0.00 -0.52 0.00 0.00 55.73 56.75 2fmr s ARG 11 Cb -0.04 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 2fmr s ARG 11 CO 0.05 -0.12 1.53 0.93 0.02 0.00 0.00 175.30 177.71 2fmr h GLU 12 N 2.99 0.82 0.00 3.54 5.08 -2.01 0.76 114.58 125.76 2fmr h GLU 12 Ca -0.48 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.47 2fmr h GLU 12 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2fmr h GLU 12 CO 0.64 0.95 -0.40 0.22 -1.00 0.00 0.00 179.01 179.41 2fmr h ASP 13 N 0.64 0.00 -0.23 1.42 1.82 -2.00 -3.00 116.42 115.07 2fmr h ASP 13 Ca 0.10 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 2fmr h ASP 13 Cb 0.66 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.61 2fmr h ASP 13 CO 0.05 0.40 -0.17 0.18 -1.61 0.00 0.00 179.24 178.08 2fmr n LEU 14 N -3.64 3.62 -0.03 2.28 4.32 -1.07 -4.72 117.00 117.75 2fmr n LEU 14 Ca -0.01 -3.69 -0.01 0.00 -0.02 0.00 0.00 56.01 52.28 2fmr n LEU 14 Cb 0.50 -0.59 -0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2fmr n LEU 14 CO 0.37 1.21 0.01 -0.03 -1.22 0.00 0.00 177.39 177.74 2fmr h MET 15 N 1.00 -0.04 -1.93 3.23 4.05 0.70 -3.41 114.93 118.53 2fmr h MET 15 Ca 0.13 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.16 2fmr h MET 15 Cb 1.43 0.01 -0.31 0.00 -0.80 0.00 0.00 31.60 31.93 2fmr h MET 15 CO 0.25 -0.02 -0.72 0.20 0.23 0.00 0.00 176.91 176.84 2fmr s GLY 16 N -3.49 0.09 0.00 1.39 0.00 -1.26 -5.02 107.32 99.03 2fmr s GLY 16 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2fmr s GLY 16 CO 0.02 2.71 0.00 -0.10 0.00 0.00 0.00 173.10 175.73 2fmr n LEU 17 N 3.83 0.00 -4.74 0.66 0.00 -1.26 -5.13 117.00 110.36 2fmr n LEU 17 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.83 2fmr n LEU 17 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 43.42 43.96 2fmr n LEU 17 CO 0.08 0.00 0.78 0.00 0.00 0.00 0.00 177.39 178.24 2fmr s ALA 18 N 0.00 2.22 -0.16 1.96 0.00 -1.26 -4.91 121.76 119.60 2fmr s ALA 18 Ca 0.00 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 2fmr s ALA 18 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2fmr s ALA 18 CO 0.00 -1.70 -0.31 -0.89 0.00 0.00 0.00 175.76 172.86 2fmr n ILE 19 N -2.64 1.40 0.00 0.00 2.08 -1.24 -5.07 119.36 113.88 2fmr n ILE 19 Ca 0.12 0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.61 2fmr n ILE 19 Cb 0.51 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 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 1.49 0.85 0.10 7.39 0.00 -1.26 -4.97 105.19 108.78 2fmr n GLY 20 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2fmr n GLY 20 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2fmr h THR 21 N 0.00 1.03 -2.79 2.61 2.02 -2.04 -3.44 112.91 110.30 2fmr h THR 21 Ca 0.00 -2.57 -0.56 0.00 0.77 0.00 0.00 66.41 64.05 2fmr h THR 21 Cb 0.00 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 2fmr h THR 21 CO 0.00 0.59 1.02 -1.00 0.37 0.00 0.00 175.52 176.50 2fmr s HIS 22 N -2.85 2.38 0.15 3.16 4.02 -1.26 -4.96 115.29 115.94 2fmr s HIS 22 Ca 0.01 0.61 -0.25 0.00 1.02 0.00 0.00 55.06 56.46 2fmr s HIS 22 Cb 0.09 -3.77 0.06 0.00 -1.02 0.00 0.00 32.58 27.94 2fmr s HIS 22 CO 0.79 -2.72 0.92 0.20 1.02 0.00 0.00 174.74 174.95 2fmr s GLY 23 N 2.93 -0.24 -0.30 -2.22 0.00 -1.26 -3.67 107.32 102.56 2fmr s GLY 23 Ca 0.65 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 2fmr s GLY 23 CO 0.23 0.02 0.26 0.00 0.00 0.00 0.00 173.10 173.62 2fmr n ALA 24 N -0.45 -1.14 -0.01 3.20 0.00 -1.26 -5.00 120.51 115.84 2fmr n ALA 24 Ca -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 2fmr n ALA 24 Cb 0.61 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.28 0.00 0.05 0.00 4.21 -1.96 -3.24 115.58 114.36 2fmr h ASN 25 Ca -0.16 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.28 2fmr h ASN 25 Cb 1.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 2fmr h ASN 25 CO 0.12 0.11 -0.20 0.40 -1.29 0.00 0.00 177.43 176.58 2fmr h ILE 26 N -0.18 1.22 0.29 2.81 2.04 -1.96 -2.83 117.51 118.90 2fmr h ILE 26 Ca 0.00 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 2fmr h ILE 26 Cb 0.04 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2fmr h ILE 26 CO 0.00 0.31 -0.14 1.56 0.00 0.00 0.00 178.15 179.88 2fmr h GLN 27 N 0.26 -0.37 -0.58 2.37 4.20 -1.97 -2.77 115.11 116.24 2fmr h GLN 27 Ca 0.05 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.89 2fmr h GLN 27 Cb 0.50 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.29 2fmr h GLN 27 CO 0.03 -0.03 0.12 1.96 -0.67 0.00 0.00 178.83 180.24 2fmr h GLN 28 N -0.87 0.25 -1.00 1.46 4.20 -1.58 0.33 115.11 117.91 2fmr h GLN 28 Ca -0.04 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.73 2fmr h GLN 28 Cb 0.52 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2fmr h GLN 28 CO 0.07 0.17 0.64 0.00 -0.67 0.00 0.00 178.83 179.03 2fmr h ALA 29 N 1.46 1.41 -0.19 3.87 0.00 -1.56 -1.96 119.26 122.30 2fmr h ALA 29 Ca 0.30 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2fmr h ALA 29 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2fmr h ALA 29 CO -0.39 0.40 -0.40 0.00 0.00 0.00 0.00 179.25 178.86 2fmr h ARG 30 N 1.13 0.60 -0.24 0.00 3.08 -0.72 -3.00 114.38 115.23 2fmr h ARG 30 Ca 0.44 -0.40 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2fmr h ARG 30 Cb 0.23 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2fmr h ARG 30 CO -0.19 1.01 0.26 0.87 -1.07 0.00 0.00 179.97 180.86 2fmr h LYS 31 N 0.27 0.00 -6.75 0.04 1.79 0.27 -3.42 116.57 108.77 2fmr h LYS 31 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2fmr h LYS 31 Cb 1.01 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.73 2fmr h LYS 31 CO 0.09 0.00 0.93 0.28 -1.08 0.00 0.00 179.45 179.67 2fmr n VAL 32 N -3.79 0.67 -2.70 0.50 0.31 -0.80 -4.94 118.33 107.58 2fmr n VAL 32 Ca 0.03 -0.17 -0.43 0.00 -0.01 0.00 0.00 64.34 63.77 2fmr n VAL 32 Cb 0.40 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 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 0.07 4.08 0.00 5.55 0.04 -1.26 -3.80 135.00 139.67 2fmr s PRO 33 Ca 0.68 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2fmr s PRO 33 Cb -0.50 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2fmr s PRO 33 CO 0.43 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2fmr n GLY 34 N 3.85 4.54 3.66 0.56 0.00 -1.26 -4.88 105.19 111.66 2fmr n GLY 34 Ca 0.10 -0.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 2fmr n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fmr n VAL 35 N 0.00 0.85 -0.09 1.61 0.31 -1.25 -3.55 118.33 116.21 2fmr n VAL 35 Ca 0.00 -0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 2fmr n VAL 35 Cb 0.00 -1.38 -0.12 0.00 -0.91 0.00 0.00 33.84 31.44 2fmr n VAL 35 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2fmr n THR 36 N 1.97 1.57 -3.68 2.52 -1.04 -0.72 -4.91 114.28 109.99 2fmr n THR 36 Ca 0.13 -0.13 -0.05 0.00 -2.04 0.00 0.00 64.05 61.95 2fmr n THR 36 Cb 0.30 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.80 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 -2.40 -1.67 0.05 2.41 0.00 -0.80 -5.03 121.76 114.33 2fmr s ALA 37 Ca -0.29 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.05 2fmr s ALA 37 Cb 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2fmr s ALA 37 CO 0.61 -0.94 -0.12 -1.50 0.00 0.00 0.00 175.76 173.81 2fmr s ILE 38 N -3.30 0.88 0.23 0.00 2.07 -1.26 -1.90 121.20 117.91 2fmr s ILE 38 Ca 0.10 -1.15 -0.22 0.00 -1.41 0.00 0.00 60.65 57.97 2fmr s ILE 38 Cb -0.02 -0.87 0.04 0.00 0.13 0.00 0.00 42.46 41.75 2fmr s ILE 38 CO -0.01 -0.24 0.68 -0.62 -1.91 0.00 0.00 174.94 172.83 2fmr s ASP 39 N -1.55 -0.38 0.06 4.50 2.15 -0.36 -5.02 116.67 116.07 2fmr s ASP 39 Ca -0.04 -0.38 0.04 0.00 0.43 0.00 0.00 52.55 52.60 2fmr s ASP 39 Cb -0.09 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 2fmr s ASP 39 CO 0.01 -1.20 -0.13 -0.22 -0.17 0.00 0.00 175.17 173.47 2fmr s LEU 40 N -2.85 2.25 0.04 -1.34 2.96 -1.26 -1.06 118.68 117.42 2fmr s LEU 40 Ca 0.07 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.51 2fmr s LEU 40 Cb -0.04 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 2fmr s LEU 40 CO -0.01 -0.08 -0.26 -1.81 -1.32 0.00 0.00 176.35 172.88 2fmr s ASP 41 N -1.58 3.21 -0.22 3.68 1.01 -1.16 -4.95 116.67 116.67 2fmr s ASP 41 Ca -0.03 -0.56 0.06 0.00 0.71 0.00 0.00 52.55 52.73 2fmr s ASP 41 Cb -0.09 -0.32 -0.18 0.00 1.01 0.00 0.00 42.92 43.34 2fmr s ASP 41 CO 0.02 0.27 -0.13 -0.62 0.21 0.00 0.00 175.17 174.91 2fmr n GLU 42 N 1.82 0.71 0.35 8.23 1.02 -1.26 -2.77 120.64 128.73 2fmr n GLU 42 Ca -0.17 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 2fmr n GLU 42 Cb 0.52 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.30 1.39 1.62 3.58 -1.99 -2.95 116.42 116.76 2fmr h ASP 43 Ca -0.52 0.09 -0.12 0.00 0.42 0.00 0.00 57.03 56.90 2fmr h ASP 43 Cb 1.91 0.41 -0.02 0.00 1.72 0.00 0.00 39.33 43.35 2fmr h ASP 43 CO -0.05 -0.69 -0.61 0.71 -2.88 0.00 0.00 179.24 175.71 2fmr h THR 44 N -1.07 0.96 -4.77 2.25 1.35 -2.02 -3.49 112.91 106.13 2fmr h THR 44 Ca -0.08 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2fmr h THR 44 Cb 0.90 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 2fmr h THR 44 CO 0.01 0.55 -0.29 0.00 -0.25 0.00 0.00 175.52 175.54 2fmr n THR 46 N -0.66 0.00 -5.14 0.00 5.66 -1.12 -4.62 114.28 108.40 2fmr n THR 46 Ca 0.07 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.75 2fmr n THR 46 Cb 0.39 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.01 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 -7.10 2.58 -0.16 1.09 2.19 -0.32 -2.98 117.98 113.28 2fmr s PHE 47 Ca 0.00 -0.90 0.01 0.00 0.33 0.00 0.00 56.93 56.37 2fmr s PHE 47 Cb 0.00 -1.71 0.01 0.00 -1.31 0.00 0.00 43.02 40.00 2fmr s PHE 47 CO 0.00 -0.33 -0.18 -1.01 1.83 0.00 0.00 175.22 175.53 2fmr s HIS 48 N 0.22 2.75 -0.10 10.12 3.76 -0.22 -2.61 115.29 129.20 2fmr s HIS 48 Ca -0.14 -1.24 0.04 0.00 -0.15 0.00 0.00 55.06 53.57 2fmr s HIS 48 Cb -0.17 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.65 2fmr s HIS 48 CO 0.07 -0.58 -0.24 0.42 -0.85 0.00 0.00 174.74 173.57 2fmr s ILE 49 N 0.92 2.09 -0.48 0.60 -1.09 -1.12 -1.22 121.20 120.91 2fmr s ILE 49 Ca -0.04 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 57.40 2fmr s ILE 49 Cb -0.15 -1.80 0.12 0.00 -1.58 0.00 0.00 42.46 39.06 2fmr s ILE 49 CO -0.03 0.56 0.22 -0.31 -1.23 0.00 0.00 174.94 174.15 2fmr s TYR 50 N 0.34 3.38 0.24 3.97 2.02 -0.80 -2.61 117.35 123.90 2fmr s TYR 50 Ca -0.19 -3.05 0.07 0.00 -0.37 0.00 0.00 57.07 53.54 2fmr s TYR 50 Cb -0.18 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 2fmr s TYR 50 CO 0.09 -0.82 0.16 0.20 -1.57 0.00 0.00 175.55 173.61 2fmr s GLY 51 N 0.22 1.49 -0.43 0.71 0.00 -0.12 -1.75 107.32 107.43 2fmr s GLY 51 Ca 0.15 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.48 2fmr s GLY 51 CO -0.03 -1.46 1.86 -1.84 0.00 0.00 0.00 173.10 171.63 2fmr n GLU 52 N -1.01 2.18 -3.53 2.90 0.28 -1.23 -2.69 120.64 117.54 2fmr n GLU 52 Ca -0.08 -2.81 0.01 0.00 -0.16 0.00 0.00 57.16 54.13 2fmr n GLU 52 Cb 0.58 -2.10 -0.06 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.16 -0.24 0.60 -1.84 1.01 -1.26 -4.95 116.67 108.84 2fmr s ASP 53 Ca 0.53 0.36 0.30 0.00 0.71 0.00 0.00 52.55 54.45 2fmr s ASP 53 Cb 0.45 1.16 1.64 0.00 1.01 0.00 0.00 42.92 47.17 2fmr s ASP 53 CO 0.10 -0.05 2.04 0.06 0.21 0.00 0.00 175.17 177.52 2fmr h GLN 54 N 6.01 0.00 0.04 8.23 3.07 -1.91 0.19 115.11 130.74 2fmr h GLN 54 Ca -0.23 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.28 2fmr h GLN 54 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.71 2fmr h GLN 54 CO 0.17 0.00 -1.02 0.22 0.09 0.00 0.00 178.83 178.29 2fmr h ASP 55 N 0.00 0.28 0.20 0.06 3.58 -1.99 -2.37 116.42 116.19 2fmr h ASP 55 Ca 0.11 -0.27 -0.27 0.00 0.42 0.00 0.00 57.03 57.01 2fmr h ASP 55 Cb 0.67 -0.09 0.03 0.00 1.72 0.00 0.00 39.33 41.66 2fmr h ASP 55 CO -0.00 1.14 -1.22 0.00 -2.88 0.00 0.00 179.24 176.28 2fmr h ALA 56 N 0.83 -0.11 -0.24 -0.78 0.00 -1.07 -2.94 119.26 114.95 2fmr h ALA 56 Ca -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2fmr h ALA 56 Cb 1.71 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2fmr h ALA 56 CO 0.16 0.58 0.03 -0.24 0.00 0.00 0.00 179.25 179.78 2fmr h VAL 57 N -0.09 1.23 -0.41 0.00 3.04 -1.04 -2.63 116.25 116.36 2fmr h VAL 57 Ca -0.22 -0.78 0.01 0.00 -1.01 0.00 0.00 66.70 64.69 2fmr h VAL 57 Cb 1.94 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 32.48 2fmr h VAL 57 CO 0.21 0.25 0.27 0.11 -1.01 0.00 0.00 177.57 177.40 2fmr h LYS 58 N 0.21 0.53 -1.01 4.17 1.79 -1.56 -2.33 116.57 118.37 2fmr h LYS 58 Ca 0.07 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.61 2fmr h LYS 58 Cb 0.34 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 2fmr h LYS 58 CO 0.01 0.35 0.64 0.87 -1.08 0.00 0.00 179.45 180.24 2fmr h LYS 59 N 0.54 1.04 -0.22 3.15 1.57 -1.44 0.07 116.57 121.28 2fmr h LYS 59 Ca 0.15 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2fmr h LYS 59 Cb -0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2fmr h LYS 59 CO -0.04 0.69 0.01 0.00 -0.57 0.00 0.00 179.45 179.53 2fmr h ALA 60 N 1.51 1.60 -0.15 3.86 0.00 -1.04 -2.70 119.26 122.33 2fmr h ALA 60 Ca 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2fmr h ALA 60 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2fmr h ALA 60 CO -0.23 0.30 -0.04 -0.09 0.00 0.00 0.00 179.25 179.19 2fmr h ARG 61 N 0.32 0.30 -0.79 0.00 1.12 -0.71 0.10 114.38 114.73 2fmr h ARG 61 Ca 0.08 -0.11 0.13 0.00 -1.11 0.00 0.00 59.98 58.97 2fmr h ARG 61 Cb 0.21 -0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.10 2fmr h ARG 61 CO 0.00 0.58 0.52 1.03 -3.11 0.00 0.00 179.97 178.99 2fmr h SER 62 N -0.00 0.50 0.82 -3.80 0.87 -1.14 -0.18 113.55 110.62 2fmr h SER 62 Ca 0.04 0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.38 2fmr h SER 62 Cb 0.47 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 2fmr h SER 62 CO 0.02 0.27 -1.24 -0.26 -0.53 0.00 0.00 176.83 175.08 2fmr h PHE 63 N 0.54 0.02 -0.97 2.24 0.04 -1.33 -3.34 116.94 114.15 2fmr h PHE 63 Ca 0.38 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.64 2fmr h PHE 63 Cb 0.72 -0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.71 2fmr h PHE 63 CO -0.00 1.02 0.58 1.28 -0.60 0.00 0.00 178.31 180.58 2fmr n LEU 64 N -3.26 6.56 -0.85 1.54 4.77 0.34 -4.62 117.00 121.49 2fmr n LEU 64 Ca -0.06 -4.08 0.12 0.00 -0.03 0.00 0.00 56.01 51.97 2fmr n LEU 64 Cb 0.98 -1.27 0.20 0.00 -2.33 0.00 0.00 43.42 41.00 2fmr n LEU 64 CO 0.47 1.77 0.69 -0.62 -1.33 0.00 0.00 177.39 178.36