#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m92 s LYS 3 N 0.00 2.09 0.00 1.20 1.02 -1.26 -5.07 119.74 117.72 3m92 s LYS 3 Ca 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 55.97 53.75 3m92 s LYS 3 Cb 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 3m92 s LYS 3 CO 0.00 -0.22 0.13 -0.85 -0.92 0.00 0.00 175.35 173.49 3m92 n GLU 4 N -1.15 -0.09 -2.94 1.68 0.28 -1.26 -5.06 120.64 112.11 3m92 n GLU 4 Ca -0.12 -0.13 -0.23 0.00 -0.16 0.00 0.00 57.16 56.52 3m92 n GLU 4 Cb 0.67 -0.60 0.01 0.00 1.43 0.00 0.00 31.44 32.95 3m92 n GLU 4 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3m92 s THR 5 N -0.03 3.85 0.11 3.84 -4.23 -1.26 -5.10 115.64 112.82 3m92 s THR 5 Ca 0.00 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 3m92 s THR 5 Cb 0.00 -3.42 -0.07 0.00 1.34 0.00 0.00 72.50 70.35 3m92 s THR 5 CO 0.00 -0.30 0.73 -1.58 -0.54 0.00 0.00 174.62 172.93 3m92 s GLN 6 N -4.58 4.47 0.43 3.99 0.74 -1.26 -5.06 119.66 118.38 3m92 s GLN 6 Ca 0.49 1.04 -0.24 0.00 0.05 0.00 0.00 55.36 56.71 3m92 s GLN 6 Cb -0.10 -3.29 -0.08 0.00 1.10 0.00 0.00 33.01 30.64 3m92 s GLN 6 CO 0.38 0.50 1.12 -1.25 -0.55 0.00 0.00 175.29 175.49 3m92 s PRO 7 N -0.82 3.97 -0.03 1.67 0.04 -1.26 -5.05 135.00 133.51 3m92 s PRO 7 Ca 0.35 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 3m92 s PRO 7 Cb -0.22 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.84 3m92 s PRO 7 CO 0.24 -0.35 0.22 -1.50 0.04 0.00 0.00 177.00 175.65 3m92 s ILE 8 N -1.58 0.05 0.55 0.56 2.07 -1.26 -5.15 121.20 116.44 3m92 s ILE 8 Ca 0.60 -0.39 -0.05 0.00 -1.41 0.00 0.00 60.65 59.41 3m92 s ILE 8 Cb -0.26 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 41.88 3m92 s ILE 8 CO 0.32 -0.21 0.85 1.51 -1.91 0.00 0.00 174.94 175.50 3m92 s ASP 9 N -0.83 5.72 0.14 4.50 1.47 -1.26 -4.92 116.67 121.48 3m92 s ASP 9 Ca -0.09 0.67 -0.19 0.00 1.18 0.00 0.00 52.55 54.12 3m92 s ASP 9 Cb -0.05 -1.75 -0.00 0.00 -0.34 0.00 0.00 42.92 40.78 3m92 s ASP 9 CO 0.02 -0.94 1.71 -0.09 0.68 0.00 0.00 175.17 176.54 3m92 h ARG 10 N -0.03 0.03 -0.03 2.11 2.43 -2.02 -0.02 114.38 116.85 3m92 h ARG 10 Ca -0.46 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3m92 h ARG 10 Cb 1.25 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3m92 h ARG 10 CO 0.60 0.02 -0.10 1.49 -1.51 0.00 0.00 179.97 180.47 3m92 h GLU 11 N 0.03 -0.16 -0.69 0.20 4.81 -1.99 0.56 114.58 117.34 3m92 h GLU 11 Ca 0.11 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 3m92 h GLU 11 Cb 0.16 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3m92 h GLU 11 CO -0.22 -0.11 0.12 1.15 -0.73 0.00 0.00 179.01 179.22 3m92 h THR 12 N -0.17 1.26 -0.32 0.32 2.02 -1.94 -1.67 112.91 112.41 3m92 h THR 12 Ca 0.05 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 3m92 h THR 12 Cb 0.23 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3m92 h THR 12 CO -0.12 0.39 0.17 0.25 0.37 0.00 0.00 175.52 176.57 3m92 h LEU 13 N 1.06 0.41 -0.99 2.58 5.85 -0.59 -1.63 115.31 122.00 3m92 h LEU 13 Ca 0.21 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3m92 h LEU 13 Cb 0.43 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3m92 h LEU 13 CO 0.01 0.39 0.50 -0.07 -0.34 0.00 0.00 178.44 178.93 3m92 h LEU 14 N 0.39 1.07 -0.40 2.25 3.38 -0.78 0.06 115.31 121.28 3m92 h LEU 14 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3m92 h LEU 14 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3m92 h LEU 14 CO -0.02 0.85 0.23 0.11 0.09 0.00 0.00 178.44 179.70 3m92 h LYS 15 N 1.22 0.45 -0.58 1.13 1.57 -0.97 -0.10 116.57 119.29 3m92 h LYS 15 Ca 0.31 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3m92 h LYS 15 Cb -0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3m92 h LYS 15 CO -0.05 0.30 0.26 0.93 -0.57 0.00 0.00 179.45 180.32 3m92 h GLU 16 N 0.46 0.84 -0.53 3.15 4.39 -0.95 -1.61 114.58 120.33 3m92 h GLU 16 Ca 0.16 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3m92 h GLU 16 Cb 0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3m92 h GLU 16 CO -0.08 0.70 0.20 0.00 -1.16 0.00 0.00 179.01 178.67 3m92 h ALA 17 N 1.10 0.69 -0.17 3.43 0.00 -0.56 -2.23 119.26 121.52 3m92 h ALA 17 Ca 0.20 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3m92 h ALA 17 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3m92 h ALA 17 CO -0.02 0.32 -0.19 -0.91 0.00 0.00 0.00 179.25 178.45 3m92 h ASN 18 N 0.73 0.28 -0.54 0.00 2.35 -0.88 -1.27 115.58 116.25 3m92 h ASN 18 Ca 0.18 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 3m92 h ASN 18 Cb 0.22 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3m92 h ASN 18 CO -0.01 0.49 0.04 0.11 -1.65 0.00 0.00 177.43 176.40 3m92 h LYS 19 N 0.27 0.97 -0.80 0.81 1.57 -1.08 -1.21 116.57 117.11 3m92 h LYS 19 Ca 0.05 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3m92 h LYS 19 Cb 0.49 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3m92 h LYS 19 CO 0.03 0.93 0.48 0.82 -0.57 0.00 0.00 179.45 181.14 3m92 h ILE 20 N 0.90 1.23 -0.22 1.86 2.04 -0.71 -1.23 117.51 121.37 3m92 h ILE 20 Ca 0.17 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3m92 h ILE 20 Cb 0.48 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3m92 h ILE 20 CO 0.02 0.24 0.08 0.40 0.00 0.00 0.00 178.15 178.89 3m92 h ILE 21 N 1.09 1.18 -0.88 -0.67 2.04 -0.76 -0.29 117.51 119.22 3m92 h ILE 21 Ca 0.29 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3m92 h ILE 21 Cb -0.03 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3m92 h ILE 21 CO -0.05 0.18 0.58 0.03 0.00 0.00 0.00 178.15 178.89 3m92 h ARG 22 N 0.20 1.17 -0.51 2.37 2.47 -1.16 0.23 114.38 119.15 3m92 h ARG 22 Ca 0.07 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3m92 h ARG 22 Cb 0.20 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 3m92 h ARG 22 CO -0.00 0.78 0.30 0.93 0.56 0.00 0.00 179.97 182.53 3m92 h GLU 23 N 1.20 0.69 -0.73 0.04 5.08 -0.84 -0.94 114.58 119.08 3m92 h GLU 23 Ca 0.32 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3m92 h GLU 23 Cb -0.13 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3m92 h GLU 23 CO -0.07 0.51 0.26 0.45 -1.00 0.00 0.00 179.01 179.16 3m92 h HIS 24 N 0.68 1.14 -0.35 4.33 3.86 -0.51 -1.65 115.15 122.63 3m92 h HIS 24 Ca 0.18 -0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3m92 h HIS 24 Cb 0.00 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.10 3m92 h HIS 24 CO -0.03 0.89 0.14 1.49 0.86 0.00 0.00 177.93 181.28 3m92 h GLU 25 N 1.06 0.29 -0.28 2.45 4.81 -0.57 -0.76 114.58 121.58 3m92 h GLU 25 Ca 0.24 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3m92 h GLU 25 Cb 0.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3m92 h GLU 25 CO -0.01 0.19 0.15 0.22 -0.73 0.00 0.00 179.01 178.83 3m92 h ASP 26 N 0.30 0.34 -0.40 1.04 3.58 -0.99 -3.06 116.42 117.23 3m92 h ASP 26 Ca 0.16 -0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 3m92 h ASP 26 Cb 0.11 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3m92 h ASP 26 CO -0.14 0.32 0.04 0.74 -2.88 0.00 0.00 179.24 177.32 3m92 h THR 27 N 0.34 1.23 -0.13 2.25 2.02 -1.01 -3.00 112.91 114.61 3m92 h THR 27 Ca 0.10 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.41 3m92 h THR 27 Cb 0.05 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3m92 h THR 27 CO -0.02 0.32 0.10 -0.07 0.37 0.00 0.00 175.52 176.23 3m92 h LEU 28 N 0.72 0.00 -1.48 2.58 3.38 -1.03 0.21 115.31 119.68 3m92 h LEU 28 Ca 0.15 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.34 3m92 h LEU 28 Cb 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3m92 h LEU 28 CO 0.01 0.00 0.62 0.00 0.09 0.00 0.00 178.44 179.16 3m92 h ALA 29 N 1.93 2.22 -0.12 1.53 0.00 -1.59 -1.63 119.26 121.59 3m92 h ALA 29 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m92 h ALA 29 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3m92 h ALA 29 CO -0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 3m92 n GLY 30 N -1.51 0.53 3.81 0.00 0.00 0.72 -4.96 105.19 103.78 3m92 n GLY 30 Ca 0.21 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3m92 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m92 s ILE 31 N -1.87 5.21 -0.13 -0.61 1.01 -0.62 -4.98 121.20 119.22 3m92 s ILE 31 Ca 0.34 0.64 -0.08 0.00 0.00 0.00 0.00 60.65 61.55 3m92 s ILE 31 Cb 0.20 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 39.08 3m92 s ILE 31 CO 0.30 0.52 0.33 -0.70 0.00 0.00 0.00 174.94 175.39 3m92 s GLU 32 N -0.51 0.32 -0.17 2.79 2.12 -1.26 -5.03 118.70 116.96 3m92 s GLU 32 Ca 0.20 0.60 -0.28 0.00 0.36 0.00 0.00 54.97 55.85 3m92 s GLU 32 Cb -0.15 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 3m92 s GLU 32 CO 0.09 -0.13 0.95 0.00 -0.54 0.00 0.00 175.26 175.63 3m92 s ALA 33 N 1.00 3.53 -0.24 6.30 0.00 -1.26 -4.29 121.76 126.79 3m92 s ALA 33 Ca -0.07 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.13 3m92 s ALA 33 Cb -0.07 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3m92 s ALA 33 CO -0.07 -0.75 0.24 0.25 0.00 0.00 0.00 175.76 175.42 3m92 n THR 34 N 4.85 0.00 -4.00 0.00 -2.24 -0.28 -5.00 114.28 107.61 3m92 n THR 34 Ca 0.08 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 3m92 n THR 34 Cb 0.48 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 3m92 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m92 s GLY 35 N -1.24 0.30 -0.12 3.38 0.00 -0.73 -4.98 107.32 103.93 3m92 s GLY 35 Ca 0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 3m92 s GLY 35 CO 0.15 -0.86 0.31 0.54 0.00 0.00 0.00 173.10 173.24 3m92 s VAL 36 N -2.42 -0.00 0.31 1.40 0.11 -1.26 -1.06 120.40 117.47 3m92 s VAL 36 Ca -0.07 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3m92 s VAL 36 Cb -0.03 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 3m92 s VAL 36 CO -0.04 0.00 0.11 0.42 -3.33 0.00 0.00 175.10 172.26 3m92 s THR 37 N 0.28 0.68 -0.15 5.04 -4.23 -0.41 -4.98 115.64 111.86 3m92 s THR 37 Ca -0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3m92 s THR 37 Cb -0.03 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.22 3m92 s THR 37 CO -0.01 0.00 -0.19 -1.58 -0.54 0.00 0.00 174.62 172.30 3m92 s GLN 38 N -3.90 2.79 -0.14 3.99 0.74 -1.26 -0.20 119.66 121.68 3m92 s GLN 38 Ca 0.35 -0.76 -0.00 0.00 0.05 0.00 0.00 55.36 55.00 3m92 s GLN 38 Cb 0.07 -2.37 0.03 0.00 1.10 0.00 0.00 33.01 31.84 3m92 s GLN 38 CO 0.15 -0.14 -0.07 -0.98 -0.55 0.00 0.00 175.29 173.70 3m92 s ARG 39 N 1.15 1.59 -1.56 1.67 3.03 0.08 -4.71 118.95 120.19 3m92 s ARG 39 Ca 0.00 -0.43 -0.10 0.00 2.03 0.00 0.00 55.73 57.23 3m92 s ARG 39 Cb -0.14 -1.86 0.08 0.00 -1.03 0.00 0.00 34.95 32.00 3m92 s ARG 39 CO -0.08 -0.34 0.67 0.09 -1.13 0.00 0.00 175.30 174.50 3m92 n ASN 40 N 4.88 -2.30 0.00 -2.89 3.02 -1.26 -1.43 115.26 115.29 3m92 n ASN 40 Ca -0.13 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3m92 n ASN 40 Cb 0.49 -3.04 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3m92 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m92 n GLY 41 N -1.68 1.80 3.50 7.41 0.00 -1.26 -5.01 105.19 109.95 3m92 n GLY 41 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3m92 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m92 s VAL 42 N -3.18 3.67 0.28 1.61 -7.23 -0.51 -5.02 120.40 110.02 3m92 s VAL 42 Ca 0.00 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 3m92 s VAL 42 Cb 0.00 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 3m92 s VAL 42 CO 0.00 0.54 1.24 -0.76 -0.31 0.00 0.00 175.10 175.80 3m92 s LEU 43 N -0.05 4.46 -0.18 1.32 1.43 -1.26 -0.74 118.68 123.67 3m92 s LEU 43 Ca 0.00 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 3m92 s LEU 43 Cb -0.13 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.49 3m92 s LEU 43 CO 0.03 -0.40 -0.10 -0.69 0.23 0.00 0.00 176.35 175.41 3m92 s VAL 44 N -0.82 1.48 0.13 -1.59 1.01 0.72 -4.68 120.40 116.65 3m92 s VAL 44 Ca 0.49 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3m92 s VAL 44 Cb -0.36 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3m92 s VAL 44 CO 0.45 0.24 0.42 -0.36 0.00 0.00 0.00 175.10 175.86 3m92 s PHE 45 N 1.48 3.52 0.11 5.22 0.08 -1.26 -1.29 117.98 125.84 3m92 s PHE 45 Ca 0.01 0.74 0.02 0.00 0.12 0.00 0.00 56.93 57.82 3m92 s PHE 45 Cb -0.15 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3m92 s PHE 45 CO -0.09 0.45 -0.06 0.95 -0.10 0.00 0.00 175.22 176.37 3m92 s THR 46 N -1.55 0.71 -2.30 0.64 -4.23 -0.23 -4.97 115.64 103.72 3m92 s THR 46 Ca 0.38 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3m92 s THR 46 Cb -0.13 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3m92 s THR 46 CO 0.21 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 3m92 n GLY 47 N -0.07 -0.70 3.62 3.99 0.00 -1.26 -1.12 105.19 109.65 3m92 n GLY 47 Ca -0.11 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3m92 n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m92 s ASP 48 N -4.00 6.69 0.00 1.61 -1.08 -1.26 -4.88 116.67 113.75 3m92 s ASP 48 Ca 0.00 1.01 0.25 0.00 -0.52 0.00 0.00 52.55 53.29 3m92 s ASP 48 Cb 0.00 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.90 3m92 s ASP 48 CO 0.00 -1.10 1.69 -1.22 0.52 0.00 0.00 175.17 175.07 3m92 n TYR 49 N 7.60 0.09 -3.71 -5.34 4.01 -1.26 -4.87 117.16 113.68 3m92 n TYR 49 Ca 0.14 -0.04 -0.23 0.00 -0.16 0.00 0.00 57.90 57.60 3m92 n TYR 49 Cb 0.47 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.54 3m92 n TYR 49 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3m92 n PHE 50 N 0.10 -2.15 -2.16 -0.72 3.72 -1.26 -3.90 117.46 111.09 3m92 n PHE 50 Ca 0.18 0.89 -0.35 0.00 -0.05 0.00 0.00 57.45 58.12 3m92 n PHE 50 Cb 0.31 -4.44 0.01 0.00 -0.94 0.00 0.00 39.48 34.42 3m92 n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3m92 s LEU 51 N -6.86 3.67 0.00 4.37 1.43 -1.26 -4.16 118.68 115.86 3m92 s LEU 51 Ca 0.24 2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 55.32 3m92 s LEU 51 Cb -0.12 -4.57 0.21 0.00 0.03 0.00 0.00 46.19 41.74 3m92 s LEU 51 CO 0.80 -1.29 0.91 -0.90 0.23 0.00 0.00 176.35 176.10 3m92 n ASP 52 N -1.54 -1.07 0.30 2.29 5.68 -0.30 -4.83 116.55 117.09 3m92 n ASP 52 Ca 0.11 -1.16 0.19 0.00 -0.50 0.00 0.00 54.79 53.44 3m92 n ASP 52 Cb 0.51 -0.78 0.90 0.00 -1.14 0.00 0.00 41.12 40.61 3m92 n ASP 52 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3m92 h GLU 53 N 0.00 0.00 -0.23 0.11 4.39 -1.97 -0.95 114.58 115.93 3m92 h GLU 53 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3m92 h GLU 53 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 3m92 h GLU 53 CO 0.22 0.01 0.00 1.04 -1.16 0.00 0.00 179.01 179.11 3m92 n GLN 54 N -3.11 1.98 -0.79 2.33 1.13 -1.26 -4.95 117.38 112.70 3m92 n GLN 54 Ca -0.01 -1.47 0.00 0.00 -1.94 0.00 0.00 57.00 53.58 3m92 n GLN 54 Cb 0.21 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3m92 n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m92 n GLY 55 N 1.25 0.58 3.87 1.08 0.00 -0.36 -5.05 105.19 106.55 3m92 n GLY 55 Ca 0.17 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3m92 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m92 s LEU 56 N 0.00 4.17 0.48 0.99 1.43 -1.26 -4.79 118.68 119.70 3m92 s LEU 56 Ca 0.00 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 3m92 s LEU 56 Cb 0.00 -2.76 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 3m92 s LEU 56 CO 0.00 0.18 1.37 -2.84 0.23 0.00 0.00 176.35 175.29 3m92 s PRO 57 N -2.41 3.51 0.52 1.29 0.02 -1.26 -1.15 135.00 135.52 3m92 s PRO 57 Ca 0.32 2.29 0.05 0.00 0.02 0.00 0.00 61.00 63.67 3m92 s PRO 57 Cb -0.13 -2.50 0.01 0.00 0.02 0.00 0.00 34.50 31.91 3m92 s PRO 57 CO 0.25 -0.91 0.27 0.95 -0.33 0.00 0.00 177.00 177.23 3m92 s THR 58 N -1.27 1.63 0.26 0.99 -4.23 -1.26 -4.79 115.64 106.98 3m92 s THR 58 Ca 0.65 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.47 3m92 s THR 58 Cb -0.41 -2.28 0.26 0.00 1.34 0.00 0.00 72.50 71.41 3m92 s THR 58 CO 0.51 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.49 3m92 h ALA 59 N 0.99 1.32 -0.21 3.99 0.00 -1.96 -1.10 119.26 122.31 3m92 h ALA 59 Ca -0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3m92 h ALA 59 Cb 1.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3m92 h ALA 59 CO 0.63 0.53 0.05 -0.22 0.00 0.00 0.00 179.25 180.23 3m92 h LYS 60 N 1.24 0.29 0.00 0.00 3.64 -1.93 -2.12 116.57 117.69 3m92 h LYS 60 Ca 0.40 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3m92 h LYS 60 Cb 0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3m92 h LYS 60 CO -0.13 0.28 -0.02 0.77 -2.27 0.00 0.00 179.45 178.07 3m92 h SER 61 N 0.29 0.00 -0.76 4.20 0.02 -1.31 -3.08 113.55 112.91 3m92 h SER 61 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3m92 h SER 61 Cb 0.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3m92 h SER 61 CO -0.00 0.02 0.36 0.74 -1.14 0.00 0.00 176.83 176.81 3m92 h THR 62 N 0.00 1.25 -0.55 -2.27 2.02 -1.41 -0.76 112.91 111.18 3m92 h THR 62 Ca -0.00 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3m92 h THR 62 Cb 0.05 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3m92 h THR 62 CO 0.00 0.29 0.36 0.00 0.37 0.00 0.00 175.52 176.55 3m92 h ALA 63 N 1.18 1.61 -0.12 6.16 0.00 -1.72 -0.83 119.26 125.54 3m92 h ALA 63 Ca 0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3m92 h ALA 63 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m92 h ALA 63 CO -0.03 0.37 -0.27 0.28 0.00 0.00 0.00 179.25 179.60 3m92 h VAL 64 N 0.75 1.38 -0.59 0.00 2.07 -1.31 -3.16 116.25 115.38 3m92 h VAL 64 Ca 0.20 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3m92 h VAL 64 Cb -0.08 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3m92 h VAL 64 CO -0.04 0.46 0.38 -0.26 0.02 0.00 0.00 177.57 178.12 3m92 h PHE 65 N -0.02 0.75 0.00 1.57 0.04 -0.99 0.65 116.94 118.94 3m92 h PHE 65 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3m92 h PHE 65 Cb 0.87 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3m92 h PHE 65 CO 0.11 0.49 0.00 -1.71 -0.60 0.00 0.00 178.31 176.59 3m92 n ASN 66 N -4.66 0.00 0.00 2.17 5.15 -0.35 -1.39 115.26 116.18 3m92 n ASN 66 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 3m92 n ASN 66 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 3m92 n ASN 66 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3m92 n PHE 68 N 0.25 0.00 -0.13 1.20 3.01 0.22 -1.30 117.46 120.71 3m92 n PHE 68 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 3m92 n PHE 68 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 3m92 n PHE 68 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3m92 h LYS 69 N 0.00 0.64 -0.44 -1.08 1.63 -1.45 -1.65 116.57 114.20 3m92 h LYS 69 Ca 0.00 -0.16 0.04 0.00 -0.85 0.00 0.00 60.65 59.68 3m92 h LYS 69 Cb 0.00 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 3m92 h LYS 69 CO 0.00 0.68 0.21 1.25 -3.45 0.00 0.00 179.45 178.14 3m92 h HIS 70 N 0.49 0.39 -0.63 1.91 2.76 -1.45 0.17 115.15 118.79 3m92 h HIS 70 Ca 0.12 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3m92 h HIS 70 Cb 0.34 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 3m92 h HIS 70 CO 0.02 0.19 0.40 -0.07 -1.30 0.00 0.00 177.93 177.17 3m92 h LEU 71 N 0.43 0.74 -0.47 0.26 3.38 -1.81 -0.64 115.31 117.19 3m92 h LEU 71 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3m92 h LEU 71 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3m92 h LEU 71 CO -0.15 0.55 0.25 0.00 0.09 0.00 0.00 178.44 179.18 3m92 h ALA 72 N 1.21 0.60 -0.04 1.53 0.00 -0.83 0.78 119.26 122.51 3m92 h ALA 72 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m92 h ALA 72 Cb -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3m92 h ALA 72 CO -0.05 0.14 0.01 1.25 0.00 0.00 0.00 179.25 180.59 3m92 h HIS 73 N 0.61 0.07 0.02 0.00 -0.00 -0.58 -2.08 115.15 113.19 3m92 h HIS 73 Ca 0.16 -0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.25 3m92 h HIS 73 Cb 0.07 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 27.49 3m92 h HIS 73 CO -0.02 0.31 -1.07 -0.39 -0.00 0.00 0.00 177.93 176.76 3m92 h VAL 74 N -0.19 1.28 0.00 5.26 -1.51 -1.07 -3.25 116.25 116.78 3m92 h VAL 74 Ca 0.01 -2.28 -0.19 0.00 -1.23 0.00 0.00 66.70 63.02 3m92 h VAL 74 Cb 0.28 2.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 3m92 h VAL 74 CO 0.00 0.70 -0.89 -0.07 -1.23 0.00 0.00 177.57 176.09 3m92 h LEU 75 N 0.38 0.00 -1.75 4.19 3.38 -0.92 -3.13 115.31 117.46 3m92 h LEU 75 Ca -0.14 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3m92 h LEU 75 Cb 1.72 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 3m92 h LEU 75 CO 0.21 0.89 -0.15 0.28 0.09 0.00 0.00 178.44 179.76 3m92 h SER 76 N 0.00 0.00 1.39 -0.43 0.02 -1.47 0.12 113.55 113.17 3m92 h SER 76 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3m92 h SER 76 Cb 1.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 3m92 h SER 76 CO 0.12 0.15 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.53 3m92 h GLU 77 N 0.00 0.00 0.03 3.45 5.08 -1.57 -3.34 114.58 118.23 3m92 h GLU 77 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3m92 h GLU 77 Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3m92 h GLU 77 CO 0.02 0.09 -2.28 1.63 -1.00 0.00 0.00 179.01 177.46 3m92 n LYS 78 N -3.16 0.68 -4.31 2.33 5.02 -0.53 -5.04 118.16 113.14 3m92 n LYS 78 Ca 0.02 0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 3m92 n LYS 78 Cb 0.45 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3m92 n LYS 78 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3m92 s TYR 79 N -2.53 1.54 0.04 2.13 2.02 0.30 -5.12 117.35 115.72 3m92 s TYR 79 Ca -0.24 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.83 3m92 s TYR 79 Cb 0.08 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3m92 s TYR 79 CO 0.71 0.22 -0.14 -3.38 -1.57 0.00 0.00 175.55 171.38 3m92 s HIS 80 N -3.14 1.26 0.02 2.71 -3.43 -1.26 -4.52 115.29 106.92 3m92 s HIS 80 Ca 0.21 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.83 3m92 s HIS 80 Cb 0.01 -0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 30.37 3m92 s HIS 80 CO 0.05 0.04 0.92 -1.17 -2.00 0.00 0.00 174.74 172.57 3m92 s LEU 81 N -1.13 4.40 0.00 5.38 2.96 -1.26 -5.20 118.68 123.82 3m92 s LEU 81 Ca 0.02 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 3m92 s LEU 81 Cb -0.08 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.13 3m92 s LEU 81 CO 0.01 -0.18 0.28 1.33 -1.32 0.00 0.00 176.35 176.48