#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 n LEU 5 N 0.00 -5.36 0.08 -3.43 -0.00 -1.26 -4.86 117.00 102.18 3mr8 n LEU 5 Ca 0.00 -0.43 -0.14 0.00 -0.00 0.00 0.00 56.01 55.44 3mr8 n LEU 5 Cb 0.00 -2.92 -0.08 0.00 -0.00 0.00 0.00 43.42 40.42 3mr8 n LEU 5 CO 0.00 -0.50 0.10 0.07 -0.00 0.00 0.00 177.39 177.06 3mr8 h LYS 6 N -0.19 0.34 -6.00 1.96 -0.00 -2.05 -3.37 116.57 107.27 3mr8 h LYS 6 Ca -0.28 -0.43 -0.58 0.00 -0.00 0.00 0.00 60.65 59.35 3mr8 h LYS 6 Cb 1.16 0.14 -0.11 0.00 -0.00 0.00 0.00 32.23 33.42 3mr8 h LYS 6 CO 0.35 1.14 1.02 0.15 -0.00 0.00 0.00 179.45 182.12 3mr8 s LYS 7 N -3.02 3.29 -0.06 0.07 3.01 -1.26 -4.51 119.74 117.25 3mr8 s LYS 7 Ca -0.05 -0.68 -0.02 0.00 -1.01 0.00 0.00 55.97 54.21 3mr8 s LYS 7 Cb 0.08 -4.50 0.01 0.00 -1.01 0.00 0.00 37.83 32.41 3mr8 s LYS 7 CO 0.87 -2.06 0.05 0.41 0.51 0.00 0.00 175.35 175.13 3mr8 n GLY 8 N 5.70 -3.49 3.65 -3.33 0.00 -1.26 -4.91 105.19 101.55 3mr8 n GLY 8 Ca 0.10 0.15 -0.49 0.00 0.00 0.00 0.00 46.02 45.77 3mr8 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mr8 n VAL 9 N 0.39 0.11 -2.13 1.61 0.31 -1.26 -4.91 118.33 112.46 3mr8 n VAL 9 Ca -0.08 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.86 3mr8 n VAL 9 Cb 0.13 -1.37 0.01 0.00 -0.91 0.00 0.00 33.84 31.69 3mr8 n VAL 9 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3mr8 s PHE 10 N 1.48 2.68 0.00 3.52 -0.71 -1.26 -5.00 117.98 118.69 3mr8 s PHE 10 Ca 0.84 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 58.23 3mr8 s PHE 10 Cb -0.79 -3.48 0.00 0.00 -1.21 0.00 0.00 43.02 37.54 3mr8 s PHE 10 CO 0.44 -1.89 0.00 1.55 -1.34 0.00 0.00 175.22 173.98 3mr8 n VAL 11 N -0.76 0.00 -2.94 -2.49 3.14 -1.26 -2.78 118.33 111.24 3mr8 n VAL 11 Ca 0.09 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.15 3mr8 n VAL 11 Cb 0.48 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.20 3mr8 n VAL 11 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3mr8 s ASP 12 N 0.00 6.73 0.01 6.55 -0.00 -1.26 -5.01 116.67 123.69 3mr8 s ASP 12 Ca 0.00 1.35 -0.23 0.00 -0.00 0.00 0.00 52.55 53.68 3mr8 s ASP 12 Cb 0.00 -2.41 -0.17 0.00 -0.00 0.00 0.00 42.92 40.34 3mr8 s ASP 12 CO 0.00 -0.32 1.29 -2.24 -0.00 0.00 0.00 175.17 173.90 3mr8 h ASP 13 N 1.83 0.24 0.34 0.27 2.03 -2.02 -3.01 116.42 116.11 3mr8 h ASP 13 Ca -0.48 -0.51 -0.01 0.00 -0.73 0.00 0.00 57.03 55.30 3mr8 h ASP 13 Cb 1.18 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 3mr8 h ASP 13 CO 0.64 0.70 -0.05 1.12 -1.03 0.00 0.00 179.24 180.62 3mr8 h HIS 14 N -0.22 0.00 0.45 4.15 2.07 -1.97 0.53 115.15 120.17 3mr8 h HIS 14 Ca 0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 3mr8 h HIS 14 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3mr8 h HIS 14 CO 0.10 0.05 -0.22 -0.07 -3.07 0.00 0.00 177.93 174.72 3mr8 h LEU 15 N 0.00 -0.51 -0.56 6.12 -0.00 -1.95 -0.37 115.31 118.03 3mr8 h LEU 15 Ca -0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.73 3mr8 h LEU 15 Cb 0.24 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 3mr8 h LEU 15 CO 0.01 -0.19 0.12 -0.07 -0.00 0.00 0.00 178.44 178.30 3mr8 h LEU 16 N -0.86 0.87 0.25 1.67 4.07 -1.20 -1.45 115.31 118.67 3mr8 h LEU 16 Ca -0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 3mr8 h LEU 16 Cb 0.57 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 3mr8 h LEU 16 CO 0.10 0.89 -0.14 -0.08 -1.08 0.00 0.00 178.44 178.14 3mr8 h GLU 17 N 0.81 -0.35 -0.38 1.13 4.81 -0.00 0.25 114.58 120.85 3mr8 h GLU 17 Ca 0.17 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3mr8 h GLU 17 Cb 0.37 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3mr8 h GLU 17 CO 0.01 -0.23 -0.00 -0.22 -0.73 0.00 0.00 179.01 177.83 3mr8 h LYS 18 N -0.36 0.60 0.00 1.92 1.63 -1.04 -2.71 116.57 116.61 3mr8 h LYS 18 Ca -0.03 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 3mr8 h LYS 18 Cb 0.29 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3mr8 h LYS 18 CO 0.04 0.62 -0.20 -0.24 -3.45 0.00 0.00 179.45 176.23 3mr8 h VAL 19 N 0.57 0.23 -0.31 2.00 3.04 -0.98 -3.21 116.25 117.58 3mr8 h VAL 19 Ca 0.12 -1.33 -0.18 0.00 -1.01 0.00 0.00 66.70 64.30 3mr8 h VAL 19 Cb 0.37 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3mr8 h VAL 19 CO 0.01 0.13 -0.50 -0.07 -1.01 0.00 0.00 177.57 176.14 3mr8 h LEU 20 N 0.00 0.96 -1.36 3.16 3.38 -0.18 -2.58 115.31 118.69 3mr8 h LEU 20 Ca -0.00 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 3mr8 h LEU 20 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3mr8 h LEU 20 CO 0.02 1.28 -0.18 1.05 0.09 0.00 0.00 178.44 180.70 3mr8 h GLU 21 N 0.68 0.00 -0.02 1.13 4.11 -1.60 0.26 114.58 119.14 3mr8 h GLU 21 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 3mr8 h GLU 21 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3mr8 h GLU 21 CO 0.11 0.18 -0.50 -0.07 0.07 0.00 0.00 179.01 178.80 3mr8 h LEU 22 N 0.00 0.06 0.00 3.06 -0.00 -1.50 -2.85 115.31 114.08 3mr8 h LEU 22 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3mr8 h LEU 22 Cb 0.62 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 3mr8 h LEU 22 CO 0.02 0.56 -0.99 0.59 -0.00 0.00 0.00 178.44 178.62 3mr8 n ASN 23 N -3.94 0.62 0.08 -0.43 4.13 -0.82 -1.11 115.26 113.79 3mr8 n ASN 23 Ca -0.02 -0.11 0.11 0.00 1.68 0.00 0.00 54.58 56.24 3mr8 n ASN 23 Cb 0.53 0.70 0.43 0.00 -1.54 0.00 0.00 39.78 39.90 3mr8 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mr8 n ALA 24 N -1.86 1.74 -1.57 5.41 0.00 0.86 -4.04 120.51 121.05 3mr8 n ALA 24 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mr8 n ALA 24 Cb 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3mr8 n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3mr8 n LYS 25 N -1.97 0.00 -2.43 0.00 4.81 -1.22 -5.06 118.16 112.29 3mr8 n LYS 25 Ca 0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.41 3mr8 n LYS 25 Cb 0.23 -0.03 0.03 0.00 0.02 0.00 0.00 35.03 35.29 3mr8 n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mr8 n GLY 26 N 0.00 0.17 0.00 3.14 0.00 -0.27 -5.06 105.19 103.17 3mr8 n GLY 26 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3mr8 n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mr8 n GLU 27 N -2.09 1.59 0.00 1.61 4.71 -0.82 -5.02 120.64 120.62 3mr8 n GLU 27 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 3mr8 n GLU 27 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.99 3mr8 n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3mr8 n LYS 28 N 0.00 0.00 0.00 3.49 5.02 -1.26 -5.03 118.16 120.38 3mr8 n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3mr8 n LYS 28 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3mr8 n LYS 28 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3mr8 n ARG 29 N 0.00 0.00 -1.69 1.97 -4.01 -1.26 -4.90 116.66 106.76 3mr8 n ARG 29 Ca 0.00 0.00 -0.44 0.00 -1.04 0.00 0.00 57.85 56.37 3mr8 n ARG 29 Cb 0.00 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.38 3mr8 n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3mr8 n LEU 30 N 0.00 3.61 -3.11 2.89 0.00 -1.26 -3.16 117.00 115.97 3mr8 n LEU 30 Ca 0.00 1.05 0.04 0.00 0.00 0.00 0.00 56.01 57.10 3mr8 n LEU 30 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 43.42 41.92 3mr8 n LEU 30 CO 0.00 -0.02 0.27 -0.51 0.00 0.00 0.00 177.39 177.13 3mr8 s ILE 31 N 1.44 -0.68 -0.52 1.96 1.10 -1.20 -5.00 121.20 118.30 3mr8 s ILE 31 Ca 0.78 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.65 3mr8 s ILE 31 Cb -0.58 -0.45 0.00 0.00 0.15 0.00 0.00 42.46 41.58 3mr8 s ILE 31 CO 0.36 0.00 1.53 -0.54 -2.11 0.00 0.00 174.94 174.18 3mr8 s LYS 32 N 2.56 3.24 0.57 3.50 1.02 -1.26 0.13 119.74 129.50 3mr8 s LYS 32 Ca 0.17 0.66 0.07 0.00 0.02 0.00 0.00 55.97 56.88 3mr8 s LYS 32 Cb -0.05 -4.16 0.08 0.00 -0.52 0.00 0.00 37.83 33.18 3mr8 s LYS 32 CO -0.20 -2.00 0.79 -0.08 -0.92 0.00 0.00 175.35 172.94 3mr8 s THR 33 N 6.53 2.34 0.00 2.17 -1.32 -0.55 -4.92 115.64 119.89 3mr8 s THR 33 Ca 0.59 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 3mr8 s THR 33 Cb -0.13 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 3mr8 s THR 33 CO 0.26 0.00 0.72 0.79 -2.21 0.00 0.00 174.62 174.18 3mr8 n TRP 34 N -2.30 0.00 -3.45 9.09 8.01 -1.26 -3.12 117.44 124.41 3mr8 n TRP 34 Ca 0.14 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 56.05 3mr8 n TRP 34 Cb 0.61 0.03 -0.08 0.00 -2.01 0.00 0.00 31.31 29.86 3mr8 n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3mr8 n SER 35 N 0.00 3.82 0.00 -0.99 3.41 -1.26 -4.84 113.62 113.76 3mr8 n SER 35 Ca 0.00 -3.43 0.07 0.00 -0.26 0.00 0.00 58.87 55.25 3mr8 n SER 35 Cb 0.60 -0.70 0.39 0.00 -0.26 0.00 0.00 64.21 64.24 3mr8 n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3mr8 n ARG 36 N 0.96 0.33 0.10 4.33 1.85 -1.26 -2.35 116.66 120.61 3mr8 n ARG 36 Ca 0.29 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.34 3mr8 n ARG 36 Cb 0.40 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.55 3mr8 n ARG 36 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 3mr8 h ARG 37 N 0.00 0.00 -7.49 2.89 -0.00 -1.95 -2.17 114.38 105.66 3mr8 h ARG 37 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 59.98 59.50 3mr8 h ARG 37 Cb 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 29.97 30.12 3mr8 h ARG 37 CO 0.00 0.00 0.39 -1.54 -0.00 0.00 0.00 179.97 178.82 3mr8 s SER 38 N -4.66 4.93 -0.11 0.08 1.04 -0.99 -4.87 113.70 109.11 3mr8 s SER 38 Ca 0.07 1.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.53 3mr8 s SER 38 Cb 0.12 -1.79 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 3mr8 s SER 38 CO 0.68 -1.67 0.12 -0.89 0.98 0.00 0.00 173.24 172.46 3mr8 s THR 39 N -3.36 5.29 0.21 2.02 2.01 -1.12 -2.13 115.64 118.57 3mr8 s THR 39 Ca 0.60 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.41 3mr8 s THR 39 Cb -0.12 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 3mr8 s THR 39 CO 0.52 0.61 1.47 -0.63 -0.69 0.00 0.00 174.62 175.89 3mr8 s ILE 40 N -1.02 2.71 0.16 1.82 1.01 -1.05 -4.85 121.20 119.99 3mr8 s ILE 40 Ca 0.15 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 3mr8 s ILE 40 Cb -0.12 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 3mr8 s ILE 40 CO 0.04 0.07 0.92 -0.69 0.00 0.00 0.00 174.94 175.29 3mr8 s VAL 41 N 0.41 4.33 0.03 2.92 1.01 -1.26 -4.58 120.40 123.27 3mr8 s VAL 41 Ca 0.63 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 64.50 3mr8 s VAL 41 Cb -0.42 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 3mr8 s VAL 41 CO 0.39 0.41 1.19 -0.65 0.00 0.00 0.00 175.10 176.44 3mr8 h PRO 42 N 4.89 -0.27 0.00 2.72 0.11 -1.94 -2.56 132.00 134.95 3mr8 h PRO 42 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mr8 h PRO 42 Cb 1.21 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mr8 h PRO 42 CO 0.70 -0.18 0.00 -1.91 -0.21 0.00 0.00 178.00 176.39 3mr8 n GLU 43 N -3.47 0.14 0.00 1.05 2.13 -1.26 -2.80 120.64 116.42 3mr8 n GLU 43 Ca -0.03 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3mr8 n GLU 43 Cb 0.15 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3mr8 n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3mr8 n MET 44 N -1.14 0.84 -1.92 5.31 2.81 -0.96 -4.88 117.12 117.17 3mr8 n MET 44 Ca 0.04 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.52 3mr8 n MET 44 Cb 0.03 -1.04 -0.01 0.00 -0.71 0.00 0.00 33.22 31.49 3mr8 n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3mr8 s VAL 45 N -1.91 2.34 0.00 2.03 -7.23 -1.12 -3.17 120.40 111.33 3mr8 s VAL 45 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 3mr8 s VAL 45 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 3mr8 s VAL 45 CO 0.00 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3mr8 n GLY 46 N 1.00 0.52 4.02 2.32 0.00 -1.22 -4.99 105.19 106.84 3mr8 n GLY 46 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3mr8 n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mr8 s HIS 47 N -2.16 2.19 -0.30 1.61 3.76 -1.19 -4.92 115.29 114.29 3mr8 s HIS 47 Ca 0.00 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.38 3mr8 s HIS 47 Cb 0.00 -2.35 0.10 0.00 1.11 0.00 0.00 32.58 31.44 3mr8 s HIS 47 CO 0.00 -0.79 0.10 0.99 -0.85 0.00 0.00 174.74 174.19 3mr8 s THR 48 N -2.53 0.57 -0.30 1.30 2.01 -1.19 -2.83 115.64 112.67 3mr8 s THR 48 Ca 0.58 -1.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 3mr8 s THR 48 Cb -0.08 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 3mr8 s THR 48 CO 0.36 -0.66 0.66 -0.63 -0.69 0.00 0.00 174.62 173.65 3mr8 s ILE 49 N 1.78 4.91 -1.26 1.82 1.09 -1.16 -3.25 121.20 125.13 3mr8 s ILE 49 Ca 0.09 0.93 -0.19 0.00 -1.10 0.00 0.00 60.65 60.37 3mr8 s ILE 49 Cb -0.17 -4.02 0.03 0.00 -1.06 0.00 0.00 42.46 37.24 3mr8 s ILE 49 CO -0.28 -0.15 1.78 0.00 -0.10 0.00 0.00 174.94 176.20 3mr8 s ALA 50 N 2.66 2.89 -0.00 9.38 0.00 0.12 -3.51 121.76 133.30 3mr8 s ALA 50 Ca 0.26 -2.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.23 3mr8 s ALA 50 Cb -0.15 -4.65 -0.05 0.00 0.00 0.00 0.00 23.12 18.27 3mr8 s ALA 50 CO 0.12 -3.83 1.27 0.08 0.00 0.00 0.00 175.76 173.39 3mr8 s VAL 51 N 6.09 4.00 0.78 0.00 1.01 -0.93 -1.47 120.40 129.86 3mr8 s VAL 51 Ca 0.58 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 3mr8 s VAL 51 Cb 0.03 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3mr8 s VAL 51 CO 0.09 0.03 1.09 -0.47 0.00 0.00 0.00 175.10 175.84 3mr8 s TYR 52 N 1.92 2.88 -0.29 5.22 5.04 -1.18 -0.32 117.35 130.61 3mr8 s TYR 52 Ca 0.59 1.21 0.12 0.00 -2.44 0.00 0.00 57.07 56.55 3mr8 s TYR 52 Cb -0.28 -3.07 0.36 0.00 0.35 0.00 0.00 41.96 39.32 3mr8 s TYR 52 CO 0.25 -1.67 1.46 0.27 -1.34 0.00 0.00 175.55 174.52 3mr8 n ASN 53 N -3.38 -1.25 0.00 4.32 2.04 -1.18 -4.89 115.26 110.92 3mr8 n ASN 53 Ca 0.07 -2.18 0.00 0.00 -0.44 0.00 0.00 54.58 52.03 3mr8 n ASN 53 Cb 0.56 0.58 0.00 0.00 -2.53 0.00 0.00 39.78 38.38 3mr8 n ASN 53 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3mr8 n GLY 54 N -1.30 1.39 0.02 4.83 0.00 -1.26 -4.64 105.19 104.23 3mr8 n GLY 54 Ca -0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 3mr8 n GLY 54 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mr8 h LYS 55 N 0.00 -0.00 0.00 1.61 1.63 -1.93 -3.50 116.57 114.37 3mr8 h LYS 55 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3mr8 h LYS 55 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3mr8 h LYS 55 CO 0.00 -0.00 0.35 0.00 -3.45 0.00 0.00 179.45 176.35 3mr8 n GLN 56 N -2.91 0.93 -2.69 1.90 10.64 -1.26 -5.13 117.38 118.85 3mr8 n GLN 56 Ca -0.00 -1.89 -0.43 0.00 -1.83 0.00 0.00 57.00 52.86 3mr8 n GLN 56 Cb 0.00 2.40 -0.02 0.00 -0.86 0.00 0.00 30.24 31.76 3mr8 n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 3mr8 s HIS 57 N -2.48 3.22 -0.28 2.61 3.76 -1.26 -3.11 115.29 117.76 3mr8 s HIS 57 Ca 0.17 1.24 -0.20 0.00 -0.15 0.00 0.00 55.06 56.11 3mr8 s HIS 57 Cb -0.04 -3.48 -0.01 0.00 1.11 0.00 0.00 32.58 30.15 3mr8 s HIS 57 CO 0.09 -0.64 0.63 0.14 -0.85 0.00 0.00 174.74 174.12 3mr8 s VAL 58 N 3.40 4.96 -1.02 -0.90 -7.23 0.56 -4.81 120.40 115.36 3mr8 s VAL 58 Ca 0.43 1.02 -0.13 0.00 -1.81 0.00 0.00 61.98 61.49 3mr8 s VAL 58 Cb -0.13 -3.97 -0.08 0.00 0.56 0.00 0.00 36.38 32.76 3mr8 s VAL 58 CO 0.12 -0.05 2.16 -0.81 -0.31 0.00 0.00 175.10 176.21 3mr8 n PRO 59 N 5.80 2.17 -2.72 4.82 -0.04 -1.26 -2.20 135.00 141.57 3mr8 n PRO 59 Ca -0.01 -1.83 -0.42 0.00 -0.04 0.00 0.00 63.50 61.19 3mr8 n PRO 59 Cb 0.49 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 3mr8 n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mr8 s VAL 60 N 3.79 4.76 0.60 0.52 0.11 -1.23 -4.94 120.40 124.02 3mr8 s VAL 60 Ca 0.50 1.96 -0.10 0.00 -2.93 0.00 0.00 61.98 61.41 3mr8 s VAL 60 Cb 0.13 -4.28 0.15 0.00 -1.53 0.00 0.00 36.38 30.85 3mr8 s VAL 60 CO 0.01 -0.06 0.63 0.00 -3.33 0.00 0.00 175.10 172.35 3mr8 n TYR 61 N 5.53 -3.68 -3.84 1.54 9.36 -1.26 -3.00 117.16 121.81 3mr8 n TYR 61 Ca 0.09 -0.57 -0.10 0.00 3.32 0.00 0.00 57.90 60.64 3mr8 n TYR 61 Cb 0.48 -0.58 -0.08 0.00 -0.63 0.00 0.00 39.34 38.53 3mr8 n TYR 61 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3mr8 s ILE 62 N -2.25 0.11 0.03 2.97 1.10 -1.13 -4.87 121.20 117.17 3mr8 s ILE 62 Ca 0.39 -0.92 -0.01 0.00 -0.51 0.00 0.00 60.65 59.59 3mr8 s ILE 62 Cb -0.03 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.59 3mr8 s ILE 62 CO 0.29 -0.51 0.06 1.07 -2.11 0.00 0.00 174.94 173.73 3mr8 n THR 63 N 0.52 0.00 0.12 4.00 5.66 -1.26 -3.37 114.28 119.95 3mr8 n THR 63 Ca -0.18 -0.08 -0.13 0.00 -3.05 0.00 0.00 64.05 60.60 3mr8 n THR 63 Cb 0.60 0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 69.37 3mr8 n THR 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 3mr8 h GLU 64 N 0.00 -0.22 -0.76 1.09 4.11 -1.99 -3.24 114.58 113.57 3mr8 h GLU 64 Ca -0.02 0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 3mr8 h GLU 64 Cb 0.09 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3mr8 h GLU 64 CO 0.03 -0.09 0.26 -0.91 0.07 0.00 0.00 179.01 178.37 3mr8 h ASN 65 N -0.31 1.09 -2.14 3.06 4.21 -2.01 -3.37 115.58 116.12 3mr8 h ASN 65 Ca -0.02 -0.20 -0.64 0.00 1.21 0.00 0.00 56.30 56.65 3mr8 h ASN 65 Cb 0.24 -0.29 -0.14 0.00 -1.12 0.00 0.00 38.32 37.02 3mr8 h ASN 65 CO 0.04 1.00 0.95 0.00 -1.29 0.00 0.00 177.43 178.12 3mr8 s MET 66 N -5.45 3.43 0.16 0.81 0.23 -1.22 -4.54 119.30 112.71 3mr8 s MET 66 Ca -0.12 -1.20 0.00 0.00 -1.03 0.00 0.00 55.69 53.34 3mr8 s MET 66 Cb 0.15 -4.77 0.00 0.00 -1.53 0.00 0.00 34.83 28.68 3mr8 s MET 66 CO 0.84 -1.93 0.00 0.28 -2.03 0.00 0.00 175.02 172.18 3mr8 n VAL 67 N 6.05 0.00 0.30 5.16 0.31 -1.26 -4.33 118.33 124.56 3mr8 n VAL 67 Ca 0.17 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.67 3mr8 n VAL 67 Cb 0.49 -0.33 0.81 0.00 -0.91 0.00 0.00 33.84 33.89 3mr8 n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3mr8 h GLY 68 N 0.00 0.00 -1.47 2.92 0.00 -1.81 -3.10 103.07 99.62 3mr8 h GLY 68 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3mr8 h GLY 68 CO 0.00 0.00 0.16 0.30 0.00 0.00 0.00 176.54 177.00 3mr8 s HIS 69 N -3.74 3.10 1.01 5.60 3.76 -1.26 -4.80 115.29 118.95 3mr8 s HIS 69 Ca -0.01 0.50 -0.15 0.00 -0.15 0.00 0.00 55.06 55.25 3mr8 s HIS 69 Cb 0.10 -2.88 0.19 0.00 1.11 0.00 0.00 32.58 31.10 3mr8 s HIS 69 CO 0.44 -1.01 1.17 0.15 -0.85 0.00 0.00 174.74 174.64 3mr8 s LYS 70 N -5.04 0.35 0.34 1.40 -0.14 -1.26 -2.53 119.74 112.85 3mr8 s LYS 70 Ca 0.56 0.05 0.18 0.00 -1.36 0.00 0.00 55.97 55.40 3mr8 s LYS 70 Cb -0.11 -1.77 0.29 0.00 -1.68 0.00 0.00 37.83 34.57 3mr8 s LYS 70 CO 0.44 -2.69 1.55 -0.07 -0.76 0.00 0.00 175.35 173.82 3mr8 h LEU 71 N -1.85 0.00 -0.73 3.17 3.38 -1.49 -3.24 115.31 114.55 3mr8 h LEU 71 Ca -0.48 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 3mr8 h LEU 71 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3mr8 h LEU 71 CO 0.49 0.38 -0.38 1.23 0.09 0.00 0.00 178.44 180.24 3mr8 h GLY 72 N 3.24 0.00 1.02 0.83 0.00 -1.67 -3.16 103.07 103.33 3mr8 h GLY 72 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.40 3mr8 h GLY 72 CO 0.05 0.00 0.46 0.83 0.00 0.00 0.00 176.54 177.88 3mr8 h GLU 73 N 0.00 0.63 -1.99 4.80 4.39 -1.84 -2.77 114.58 117.80 3mr8 h GLU 73 Ca -0.00 -0.04 -0.69 0.00 0.34 0.00 0.00 59.36 58.97 3mr8 h GLU 73 Cb 0.99 -0.14 -0.35 0.00 -0.10 0.00 0.00 28.75 29.15 3mr8 h GLU 73 CO 0.05 0.42 0.16 1.19 -1.16 0.00 0.00 179.01 179.67 3mr8 n PHE 74 N -4.48 3.31 -3.34 4.33 3.72 -1.19 -4.90 117.46 114.91 3mr8 n PHE 74 Ca 0.11 -2.99 0.02 0.00 -0.05 0.00 0.00 57.45 54.54 3mr8 n PHE 74 Cb 0.28 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 38.07 3mr8 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mr8 s ALA 75 N -3.85 -2.59 0.20 4.37 0.00 -1.05 -4.85 121.76 113.99 3mr8 s ALA 75 Ca 0.47 1.94 -0.30 0.00 0.00 0.00 0.00 51.96 54.08 3mr8 s ALA 75 Cb 0.33 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 3mr8 s ALA 75 CO -0.22 -1.14 1.28 -1.25 0.00 0.00 0.00 175.76 174.42 3mr8 s PRO 76 N 2.75 4.41 0.00 0.00 0.04 -1.26 -4.91 135.00 136.03 3mr8 s PRO 76 Ca 0.03 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.21 3mr8 s PRO 76 Cb -0.10 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 3mr8 s PRO 76 CO -0.17 -0.21 0.65 0.25 0.04 0.00 0.00 177.00 177.55 3mr8 n THR 77 N 2.56 0.00 -4.21 1.26 -2.24 -1.26 -4.82 114.28 105.57 3mr8 n THR 77 Ca 0.06 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 3mr8 n THR 77 Cb 0.43 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.61 3mr8 n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mr8 s ARG 78 N -2.02 0.84 0.27 -0.78 0.52 -1.26 -4.99 118.95 111.54 3mr8 s ARG 78 Ca 0.08 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 3mr8 s ARG 78 Cb 0.10 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 34.63 3mr8 s ARG 78 CO 0.46 0.19 1.14 0.99 0.02 0.00 0.00 175.30 178.10 3mr8 s THR 79 N -1.17 3.40 -0.51 0.02 2.01 -1.26 -4.21 115.64 113.91 3mr8 s THR 79 Ca -0.01 1.37 -0.10 0.00 0.31 0.00 0.00 61.69 63.25 3mr8 s THR 79 Cb -0.09 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.56 3mr8 s THR 79 CO 0.02 0.31 0.61 0.00 -0.69 0.00 0.00 174.62 174.87 3mr8 n TYR 80 N 1.35 -3.20 -1.82 4.92 9.36 -1.26 -5.26 117.16 121.24 3mr8 n TYR 80 Ca -0.00 1.27 0.00 0.00 3.32 0.00 0.00 57.90 62.49 3mr8 n TYR 80 Cb 0.44 -4.00 0.00 0.00 -0.63 0.00 0.00 39.34 35.15 3mr8 n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62