#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 s SER 2 N 0.00 6.52 0.80 7.83 0.01 -1.26 -5.05 113.70 122.56 2jo0 s SER 2 Ca 0.00 2.65 -0.06 0.00 1.31 0.00 0.00 55.95 59.85 2jo0 s SER 2 Cb 0.00 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.80 2jo0 s SER 2 CO 0.00 -0.90 1.11 -2.16 0.41 0.00 0.00 173.24 171.69 2jo0 s PRO 3 N 1.89 1.35 0.48 12.44 0.04 -1.26 -5.13 135.00 144.81 2jo0 s PRO 3 Ca 0.74 -0.81 -0.00 0.00 0.04 0.00 0.00 61.00 60.97 2jo0 s PRO 3 Cb -0.44 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 31.95 2jo0 s PRO 3 CO 0.33 -1.77 0.71 0.95 0.04 0.00 0.00 177.00 177.26 2jo0 s THR 4 N -3.41 3.70 0.11 1.26 -4.23 -1.26 -5.14 115.64 106.67 2jo0 s THR 4 Ca 0.68 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 2jo0 s THR 4 Cb -0.05 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.42 2jo0 s THR 4 CO 0.47 -0.28 0.13 -1.20 -0.54 0.00 0.00 174.62 173.20 2jo0 n SER 5 N -2.18 0.69 0.15 3.99 7.64 -1.26 -4.89 113.62 117.76 2jo0 n SER 5 Ca 0.03 -1.31 -0.11 0.00 1.01 0.00 0.00 58.87 58.49 2jo0 n SER 5 Cb 0.58 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 2jo0 n SER 5 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jo0 h ILE 6 N 0.18 0.49 0.00 0.44 6.09 -1.91 -3.34 117.51 119.46 2jo0 h ILE 6 Ca -0.06 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 2jo0 h ILE 6 Cb 0.24 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.30 2jo0 h ILE 6 CO 0.08 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.27 2jo0 n LEU 7 N -5.09 0.00 0.13 2.19 -0.00 -1.26 -0.98 117.00 111.99 2jo0 n LEU 7 Ca -0.08 0.01 0.08 0.00 -0.00 0.00 0.00 56.01 56.02 2jo0 n LEU 7 Cb 0.26 -0.01 0.04 0.00 -0.00 0.00 0.00 43.42 43.71 2jo0 n LEU 7 CO 0.25 -0.01 0.29 0.44 -0.00 0.00 0.00 177.39 178.35 2jo0 h ASP 8 N 0.00 0.00 -3.60 1.45 5.19 -1.97 -3.48 116.42 114.02 2jo0 h ASP 8 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 2jo0 h ASP 8 Cb 0.00 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 39.19 2jo0 h ASP 8 CO 0.00 0.21 -0.77 0.27 -3.12 0.00 0.00 179.24 175.84 2jo0 s ILE 9 N -3.15 0.49 0.00 0.35 -4.36 -0.15 -5.02 121.20 109.36 2jo0 s ILE 9 Ca 0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 2jo0 s ILE 9 Cb 0.08 -0.49 0.00 0.00 1.25 0.00 0.00 42.46 43.29 2jo0 s ILE 9 CO 0.75 0.19 0.00 -2.11 0.24 0.00 0.00 174.94 174.01 2jo0 n ARG 10 N 3.74 0.00 -3.67 0.37 -4.01 -1.26 -4.74 116.66 107.09 2jo0 n ARG 10 Ca -0.22 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.29 2jo0 n ARG 10 Cb 0.53 -0.39 -0.06 0.00 -3.04 0.00 0.00 32.46 29.50 2jo0 n ARG 10 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 n GLN 11 N 0.00 -0.81 -2.97 2.89 10.64 -1.26 -4.80 117.38 121.08 2jo0 n GLN 11 Ca 0.00 0.10 -0.15 0.00 -1.83 0.00 0.00 57.00 55.11 2jo0 n GLN 11 Cb 0.00 -3.28 0.00 0.00 -0.86 0.00 0.00 30.24 26.10 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jo0 n GLY 12 N -0.99 1.59 0.00 2.61 0.00 -1.26 -4.98 105.19 102.16 2jo0 n GLY 12 Ca 0.06 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.38 2jo0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 13 N 1.24 0.50 -0.16 1.61 -0.04 -1.26 -4.53 135.00 132.36 2jo0 n PRO 13 Ca 0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 2jo0 n PRO 13 Cb 0.60 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2jo0 n PRO 13 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jo0 h LYS 14 N 0.00 -0.26 0.03 0.54 1.57 -1.92 0.13 116.57 116.67 2jo0 h LYS 14 Ca 0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2jo0 h LYS 14 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jo0 h LYS 14 CO 0.00 -0.18 -0.28 0.93 -0.57 0.00 0.00 179.45 179.35 2jo0 h GLU 15 N -0.27 0.13 0.00 3.15 3.07 -1.83 -3.36 114.58 115.47 2jo0 h GLU 15 Ca 0.16 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jo0 h GLU 15 Cb 0.57 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2jo0 h GLU 15 CO -0.61 1.02 -0.56 -0.35 -1.40 0.00 0.00 179.01 177.11 2jo0 n PRO 16 N -4.46 0.05 0.00 2.33 -0.04 -1.11 -4.86 135.00 126.90 2jo0 n PRO 16 Ca -0.11 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2jo0 n PRO 16 Cb 0.56 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jo0 n PHE 17 N -1.59 0.00 -0.26 0.54 7.35 0.45 -0.76 117.46 123.19 2jo0 n PHE 17 Ca 0.05 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.81 2jo0 n PHE 17 Cb 0.35 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.37 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2jo0 h ARG 18 N 0.00 0.17 0.00 -4.13 -0.00 -1.93 0.53 114.38 109.02 2jo0 h ARG 18 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2jo0 h ARG 18 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.93 2jo0 h ARG 18 CO 0.00 0.11 0.00 -0.25 -0.00 0.00 0.00 179.97 179.83 2jo0 n ASP 19 N -5.26 0.00 0.00 0.08 8.00 0.06 -2.71 116.55 116.71 2jo0 n ASP 19 Ca 0.15 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2jo0 n ASP 19 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jo0 n TYR 20 N -0.90 0.00 -0.34 1.24 4.19 -0.91 -4.65 117.16 115.78 2jo0 n TYR 20 Ca 0.19 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.37 2jo0 n TYR 20 Cb 0.09 0.00 0.09 0.00 0.49 0.00 0.00 39.34 40.01 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2jo0 h VAL 21 N 0.00 1.24 -0.84 2.97 3.04 -0.94 -0.04 116.25 121.68 2jo0 h VAL 21 Ca 0.00 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2jo0 h VAL 21 Cb 0.86 -0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.00 2jo0 h VAL 21 CO 0.00 0.23 0.51 0.44 -1.01 0.00 0.00 177.57 177.74 2jo0 h ASP 22 N 1.24 1.01 0.24 3.17 5.19 -1.75 -1.91 116.42 123.60 2jo0 h ASP 22 Ca 0.33 -0.06 -0.16 0.00 -0.62 0.00 0.00 57.03 56.52 2jo0 h ASP 22 Cb -0.13 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.12 2jo0 h ASP 22 CO -0.07 0.78 -0.60 0.03 -3.12 0.00 0.00 179.24 176.26 2jo0 h ARG 23 N 1.16 0.37 0.30 3.56 2.47 -1.71 -2.87 114.38 117.65 2jo0 h ARG 23 Ca 0.30 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2jo0 h ARG 23 Cb -0.05 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jo0 h ARG 23 CO -0.06 0.86 -0.14 0.35 0.56 0.00 0.00 179.97 181.54 2jo0 h PHE 24 N 0.27 -0.37 -0.48 3.04 3.04 -0.74 -2.87 116.94 118.83 2jo0 h PHE 24 Ca -0.01 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2jo0 h PHE 24 Cb 1.13 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 2jo0 h PHE 24 CO 0.03 -0.05 0.25 1.88 -2.02 0.00 0.00 178.31 178.40 2jo0 h TYR 25 N -0.97 0.64 -0.07 0.41 -1.99 -1.46 0.13 116.97 113.65 2jo0 h TYR 25 Ca -0.04 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.70 2jo0 h TYR 25 Cb 0.49 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2jo0 h TYR 25 CO 0.04 0.46 0.17 -0.22 -0.00 0.00 0.00 178.16 178.61 2jo0 h LYS 26 N 0.66 0.00 0.00 4.88 3.11 -1.59 -2.55 116.57 121.07 2jo0 h LYS 26 Ca 0.17 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 2jo0 h LYS 26 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2jo0 h LYS 26 CO -0.03 0.00 -0.66 0.25 -2.81 0.00 0.00 179.45 176.20 2jo0 n THR 27 N -3.34 1.29 -0.26 1.00 -2.24 0.05 -4.65 114.28 106.12 2jo0 n THR 27 Ca -0.01 0.22 0.21 0.00 -2.27 0.00 0.00 64.05 62.19 2jo0 n THR 27 Cb 0.25 -2.27 0.38 0.00 -2.10 0.00 0.00 70.33 66.60 2jo0 n THR 27 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jo0 n LEU 28 N -4.29 0.14 0.00 3.22 0.00 0.23 -3.72 117.00 112.58 2jo0 n LEU 28 Ca -0.09 1.34 0.00 0.00 0.00 0.00 0.00 56.01 57.26 2jo0 n LEU 28 Cb 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 43.42 43.17 2jo0 n LEU 28 CO 0.14 -1.45 0.01 -2.11 0.00 0.00 0.00 177.39 173.98 2jo0 n ARG 29 N -4.94 0.00 0.00 1.96 -4.01 -0.97 -1.09 116.66 107.62 2jo0 n ARG 29 Ca 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.07 2jo0 n ARG 29 Cb 0.88 -1.34 0.00 0.00 -3.04 0.00 0.00 32.46 28.96 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 n ALA 30 N -0.38 1.82 0.22 2.89 0.00 -1.24 -4.58 120.51 119.23 2jo0 n ALA 30 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jo0 n ALA 30 Cb 0.00 0.01 0.27 0.00 0.00 0.00 0.00 19.45 19.73 2jo0 n ALA 30 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jo0 h GLU 31 N 0.00 0.00 -0.01 0.00 9.09 -1.52 -3.35 114.58 118.78 2jo0 h GLU 31 Ca 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.24 2jo0 h GLU 31 Cb 0.02 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 26.96 2jo0 h GLU 31 CO 0.00 0.09 -0.30 0.00 0.05 0.00 0.00 179.01 178.85 2jo0 n GLN 32 N -3.14 1.28 0.00 1.06 10.64 -0.25 -5.07 117.38 121.91 2jo0 n GLN 32 Ca 0.03 -1.26 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 2jo0 n GLN 32 Cb 0.51 0.38 0.00 0.00 -0.86 0.00 0.00 30.24 30.27 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jo0 n ALA 33 N -1.42 0.67 -1.40 2.61 0.00 -1.07 -4.53 120.51 115.36 2jo0 n ALA 33 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 2jo0 n ALA 33 Cb 0.87 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jo0 n SER 34 N -0.63 4.39 -4.54 0.00 2.88 -1.26 -4.85 113.62 109.61 2jo0 n SER 34 Ca 0.00 -2.70 -0.30 0.00 -1.33 0.00 0.00 58.87 54.54 2jo0 n SER 34 Cb 0.00 -1.43 -0.08 0.00 -0.75 0.00 0.00 64.21 61.95 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jo0 n GLN 35 N 5.75 0.63 -3.69 -1.46 0.00 -1.26 -4.48 117.38 112.87 2jo0 n GLN 35 Ca 0.55 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.00 57.33 2jo0 n GLN 35 Cb 0.34 -2.92 -0.01 0.00 0.00 0.00 0.00 30.24 27.65 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2jo0 s GLU 36 N 8.46 0.77 0.67 3.69 2.12 -1.26 -5.00 118.70 128.15 2jo0 s GLU 36 Ca 1.07 -0.43 0.44 0.00 0.36 0.00 0.00 54.97 56.41 2jo0 s GLU 36 Cb -0.43 0.26 2.40 0.00 0.26 0.00 0.00 34.13 36.62 2jo0 s GLU 36 CO 0.29 -0.35 2.36 -0.24 -0.54 0.00 0.00 175.26 176.78 2jo0 h VAL 37 N 2.00 0.02 0.00 3.70 3.04 -2.00 -0.18 116.25 122.84 2jo0 h VAL 37 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2jo0 h VAL 37 Cb 1.22 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2jo0 h VAL 37 CO 0.27 0.00 0.02 0.29 -1.01 0.00 0.00 177.57 177.14 2jo0 n LYS 38 N -3.11 0.00 -0.27 4.17 5.02 -1.26 -3.26 118.16 119.45 2jo0 n LYS 38 Ca -0.03 0.17 0.22 0.00 -2.02 0.00 0.00 58.31 56.65 2jo0 n LYS 38 Cb 0.08 -1.52 0.41 0.00 -0.02 0.00 0.00 35.03 33.98 2jo0 n LYS 38 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jo0 n ASN 39 N -1.13 0.16 -1.61 4.39 2.85 -0.08 -2.40 115.26 117.45 2jo0 n ASN 39 Ca 0.00 1.39 0.00 0.00 -0.11 0.00 0.00 54.58 55.86 2jo0 n ASN 39 Cb 0.02 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.42 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jo0 n ALA 40 N -2.66 2.69 0.00 5.20 0.00 -1.20 -2.77 120.51 121.76 2jo0 n ALA 40 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jo0 n ALA 40 Cb 0.93 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2jo0 n ALA 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jo0 n MET 41 N 1.56 2.86 -4.55 0.00 2.81 -1.01 -5.11 117.12 113.68 2jo0 n MET 41 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 2jo0 n MET 41 Cb 0.26 -0.28 -0.08 0.00 -0.71 0.00 0.00 33.22 32.42 2jo0 n MET 41 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jo0 s THR 42 N -0.13 0.75 -0.29 2.03 -4.23 -1.11 -5.03 115.64 107.62 2jo0 s THR 42 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2jo0 s THR 42 Cb 0.00 -2.36 0.14 0.00 1.34 0.00 0.00 72.50 71.62 2jo0 s THR 42 CO 0.00 0.00 1.37 -1.84 -0.54 0.00 0.00 174.62 173.61 2jo0 n GLU 43 N -0.95 0.09 -1.47 3.99 0.00 -1.26 -4.65 120.64 116.39 2jo0 n GLU 43 Ca -0.08 0.56 -0.45 0.00 0.00 0.00 0.00 57.16 57.19 2jo0 n GLU 43 Cb 0.65 -1.91 -0.09 0.00 0.00 0.00 0.00 31.44 30.10 2jo0 n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jo0 n THR 44 N -1.99 0.06 -1.50 3.84 5.66 -1.26 -4.86 114.28 114.23 2jo0 n THR 44 Ca -0.01 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2jo0 n THR 44 Cb 0.13 -1.50 0.20 0.00 -1.55 0.00 0.00 70.33 67.61 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jo0 n LEU 45 N 11.23 3.50 -3.86 1.09 -0.00 -1.26 -4.40 117.00 123.29 2jo0 n LEU 45 Ca 0.48 -3.81 -0.00 0.00 -0.00 0.00 0.00 56.01 52.68 2jo0 n LEU 45 Cb 0.23 -0.59 0.01 0.00 -0.00 0.00 0.00 43.42 43.07 2jo0 n LEU 45 CO 0.81 1.30 0.94 -1.48 -0.00 0.00 0.00 177.39 178.96 2jo0 s LEU 46 N -3.23 -0.02 -0.13 1.47 0.05 -1.26 -4.91 118.68 110.65 2jo0 s LEU 46 Ca 0.42 -0.40 -0.05 0.00 0.05 0.00 0.00 54.13 54.14 2jo0 s LEU 46 Cb 0.39 1.72 0.06 0.00 -2.05 0.00 0.00 46.19 46.30 2jo0 s LEU 46 CO -0.03 -0.63 0.27 -0.69 -0.55 0.00 0.00 176.35 174.72 2jo0 s VAL 47 N -2.26 -0.32 0.50 1.48 1.01 -1.26 -5.02 120.40 114.53 2jo0 s VAL 47 Ca 0.22 0.24 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 2jo0 s VAL 47 Cb -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2jo0 s VAL 47 CO 0.01 0.10 1.17 0.00 0.00 0.00 0.00 175.10 176.39 2jo0 n GLN 48 N 5.04 1.51 0.00 2.72 6.02 -1.26 -2.19 117.38 129.22 2jo0 n GLN 48 Ca -0.12 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2jo0 n GLN 48 Cb 0.51 -2.32 0.00 0.00 1.02 0.00 0.00 30.24 29.44 2jo0 n GLN 48 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jo0 n ASN 49 N -0.30 0.00 0.00 1.08 5.15 -1.26 -4.89 115.26 115.04 2jo0 n ASN 49 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2jo0 n ASN 49 Cb 0.43 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 50 N 0.19 0.00 -2.36 5.20 0.00 -0.93 -4.64 120.51 117.97 2jo0 n ALA 50 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2jo0 n ALA 50 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jo0 s ASN 51 N -2.56 0.36 0.13 0.00 4.22 -1.26 -4.95 114.94 110.88 2jo0 s ASN 51 Ca 0.00 -1.39 -0.14 0.00 -2.14 0.00 0.00 52.86 49.19 2jo0 s ASN 51 Cb 0.00 0.44 -0.00 0.00 1.28 0.00 0.00 41.25 42.97 2jo0 s ASN 51 CO 0.00 -0.93 1.61 1.55 -2.04 0.00 0.00 177.10 177.29 2jo0 h PRO 52 N 2.49 0.74 -0.47 3.55 0.13 -1.90 -3.35 132.00 133.18 2jo0 h PRO 52 Ca -0.33 -0.21 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2jo0 h PRO 52 Cb 1.25 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2jo0 h PRO 52 CO 0.48 0.78 0.21 -0.44 -0.23 0.00 0.00 178.00 178.80 2jo0 h ASP 53 N 0.59 0.27 -0.55 1.44 5.19 -1.95 -2.27 116.42 119.14 2jo0 h ASP 53 Ca 0.13 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.69 2jo0 h ASP 53 Cb 0.41 -0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.81 2jo0 h ASP 53 CO 0.01 0.19 -0.15 0.00 -3.12 0.00 0.00 179.24 176.17 2jo0 h LYS 55 N -0.01 0.84 0.00 0.00 6.56 -1.57 0.09 116.57 122.47 2jo0 h LYS 55 Ca 0.27 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2jo0 h LYS 55 Cb 0.42 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2jo0 h LYS 55 CO -0.58 0.68 0.08 1.15 -2.06 0.00 0.00 179.45 178.72 2jo0 h THR 56 N 0.79 0.00 0.00 -0.16 2.02 -1.11 -2.84 112.91 111.61 2jo0 h THR 56 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 2jo0 h THR 56 Cb 0.12 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2jo0 h THR 56 CO -0.02 0.00 -0.12 -0.38 0.37 0.00 0.00 175.52 175.36 2jo0 n ILE 57 N -2.48 0.20 0.30 3.11 5.41 -0.34 -4.65 119.36 120.92 2jo0 n ILE 57 Ca -0.02 0.41 0.15 0.00 1.00 0.00 0.00 62.75 64.29 2jo0 n ILE 57 Cb 0.12 -1.56 0.70 0.00 -0.71 0.00 0.00 39.64 38.19 2jo0 n ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jo0 h LEU 58 N -0.12 0.00 -1.97 1.39 4.07 -1.15 -1.90 115.31 115.63 2jo0 h LEU 58 Ca 0.00 0.00 0.40 0.00 0.08 0.00 0.00 57.88 58.36 2jo0 h LEU 58 Cb 0.12 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 2jo0 h LEU 58 CO 0.00 0.00 1.01 0.11 -1.08 0.00 0.00 178.44 178.48 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.57 -1.64 -1.41 116.57 116.22 2jo0 h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jo0 h LYS 59 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jo0 h LYS 59 CO 0.00 0.00 -0.36 0.00 -0.57 0.00 0.00 179.45 178.52 2jo0 n ALA 60 N -2.78 2.26 -3.03 3.86 0.00 -0.74 -4.67 120.51 115.40 2jo0 n ALA 60 Ca 0.30 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 2jo0 n ALA 60 Cb 1.45 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.77 2jo0 n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jo0 n LEU 61 N -1.19 4.74 -2.75 0.00 4.32 -0.54 -4.86 117.00 116.72 2jo0 n LEU 61 Ca 0.00 -5.57 -0.32 0.00 -0.02 0.00 0.00 56.01 50.10 2jo0 n LEU 61 Cb 0.04 -0.69 0.01 0.00 -1.62 0.00 0.00 43.42 41.16 2jo0 n LEU 61 CO 0.05 2.22 0.72 0.61 -1.22 0.00 0.00 177.39 179.77 2jo0 n GLY 62 N 0.13 5.82 1.09 -0.72 0.00 -1.17 -4.41 105.19 105.92 2jo0 n GLY 62 Ca 0.32 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.68 2jo0 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 63 N -0.45 0.76 -0.63 1.61 -0.04 -1.26 -4.80 135.00 130.19 2jo0 n PRO 63 Ca 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2jo0 n PRO 63 Cb 0.46 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2jo0 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jo0 n ALA 64 N 0.77 0.00 -0.18 0.55 0.00 -1.26 -4.60 120.51 115.79 2jo0 n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 64 Cb 0.38 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2jo0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n ALA 65 N 0.90 2.82 -0.27 0.00 0.00 -1.26 -4.92 120.51 117.78 2jo0 n ALA 65 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 2jo0 n ALA 65 Cb 0.22 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.33 2jo0 n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jo0 h THR 66 N 0.00 0.18 -0.96 0.00 2.02 -1.91 -1.27 112.91 110.97 2jo0 h THR 66 Ca 0.00 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.47 2jo0 h THR 66 Cb 0.00 0.24 -0.17 0.00 -1.74 0.00 0.00 68.15 66.48 2jo0 h THR 66 CO 0.00 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.34 2jo0 h LEU 67 N 0.00 -0.15 -0.95 2.58 6.46 -1.92 -1.62 115.31 119.72 2jo0 h LEU 67 Ca 0.53 0.25 0.28 0.00 -0.12 0.00 0.00 57.88 58.83 2jo0 h LEU 67 Cb 2.53 0.37 -0.17 0.00 -0.73 0.00 0.00 40.66 42.67 2jo0 h LEU 67 CO -0.01 -0.30 0.20 -0.33 -0.62 0.00 0.00 178.44 177.38 2jo0 h GLU 68 N 0.08 0.08 -0.18 1.25 5.08 -1.59 0.42 114.58 119.72 2jo0 h GLU 68 Ca 0.64 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.88 2jo0 h GLU 68 Cb 1.40 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2jo0 h GLU 68 CO -0.80 0.05 -0.31 1.05 -1.00 0.00 0.00 179.01 178.01 2jo0 h GLU 69 N 0.08 0.52 0.00 2.33 4.11 -1.55 -3.36 114.58 116.72 2jo0 h GLU 69 Ca 0.63 -0.32 -0.04 0.00 0.07 0.00 0.00 59.36 59.69 2jo0 h GLU 69 Cb 1.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2jo0 h GLU 69 CO -0.79 0.93 -0.19 0.52 0.07 0.00 0.00 179.01 179.54 2jo0 h MET 70 N 0.17 0.00 -0.08 1.06 0.00 -0.14 0.92 114.93 116.87 2jo0 h MET 70 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.71 2jo0 h MET 70 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.49 2jo0 h MET 70 CO 0.07 0.19 0.05 1.98 0.00 0.00 0.00 176.91 179.20 2jo0 h MET 71 N 0.00 0.09 -0.24 1.72 1.85 -0.86 -3.11 114.93 114.39 2jo0 h MET 71 Ca -0.00 -0.01 -0.20 0.00 -0.61 0.00 0.00 59.70 58.89 2jo0 h MET 71 Cb 0.56 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.58 2jo0 h MET 71 CO 0.03 0.06 -0.61 1.15 -0.40 0.00 0.00 176.91 177.14 2jo0 h THR 72 N 0.10 1.28 0.00 -0.77 2.02 -1.46 -3.34 112.91 110.74 2jo0 h THR 72 Ca 0.03 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2jo0 h THR 72 Cb -0.01 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2jo0 h THR 72 CO -0.01 0.58 0.04 0.00 0.37 0.00 0.00 175.52 176.50 2jo0 h ALA 73 N 0.63 1.03 0.00 6.16 0.00 -0.79 0.30 119.26 126.60 2jo0 h ALA 73 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jo0 h ALA 73 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jo0 h ALA 73 CO 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.34 2jo0 s GLN 75 N -4.03 4.47 -2.15 0.00 1.03 0.09 -3.88 119.66 115.18 2jo0 s GLN 75 Ca -0.03 1.02 0.00 0.00 0.04 0.00 0.00 55.36 56.39 2jo0 s GLN 75 Cb 0.12 -3.34 0.00 0.00 0.03 0.00 0.00 33.01 29.82 2jo0 s GLN 75 CO 0.46 0.36 0.00 0.41 -2.54 0.00 0.00 175.29 173.98 2jo0 n GLY 76 N 2.23 1.93 3.07 2.60 0.00 -1.26 -4.96 105.19 108.79 2jo0 n GLY 76 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2jo0 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jo0 s VAL 77 N -2.72 1.31 -0.19 1.61 1.01 -1.25 -5.11 120.40 115.06 2jo0 s VAL 77 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2jo0 s VAL 77 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2jo0 s VAL 77 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2jo0 n GLY 78 N 3.65 0.87 2.60 4.51 0.00 -1.26 -4.88 105.19 110.68 2jo0 n GLY 78 Ca -0.21 -2.31 -0.01 0.00 0.00 0.00 0.00 46.02 43.48 2jo0 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jo0 n GLY 79 N -1.02 -1.00 3.54 -0.02 0.00 -1.26 -4.82 105.19 100.61 2jo0 n GLY 79 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 2jo0 n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 80 N -1.36 0.66 0.00 1.61 -0.04 -1.26 -4.65 135.00 129.97 2jo0 n PRO 80 Ca 0.01 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 2jo0 n PRO 80 Cb 0.47 -3.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.25 2jo0 n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jo0 n GLY 81 N 5.82 -2.52 3.55 0.55 0.00 -1.26 -4.96 105.19 106.37 2jo0 n GLY 81 Ca 0.43 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jo0 n HIS 82 N -1.81 0.57 -3.55 1.61 1.44 -1.26 -5.02 115.22 107.19 2jo0 n HIS 82 Ca 0.00 0.60 -0.06 0.00 -2.01 0.00 0.00 57.72 56.25 2jo0 n HIS 82 Cb 0.00 -2.14 -0.02 0.00 0.12 0.00 0.00 29.99 27.95 2jo0 n HIS 82 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2jo0 s LYS 83 N -1.79 0.56 0.86 -1.40 2.20 -1.26 -5.17 119.74 113.74 2jo0 s LYS 83 Ca 0.63 -0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.93 2jo0 s LYS 83 Cb -0.60 0.26 0.12 0.00 -1.51 0.00 0.00 37.83 36.09 2jo0 s LYS 83 CO 0.57 -0.24 1.15 0.00 -0.36 0.00 0.00 175.35 176.47 2jo0 s ALA 84 N -2.72 1.70 0.21 3.13 0.00 -1.26 -5.07 121.76 117.74 2jo0 s ALA 84 Ca 0.07 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.54 2jo0 s ALA 84 Cb -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2jo0 s ALA 84 CO -0.07 -2.47 0.31 1.03 0.00 0.00 0.00 175.76 174.56 2jo0 s ARG 85 N -4.58 1.32 0.30 0.00 0.52 -1.26 -5.18 118.95 110.07 2jo0 s ARG 85 Ca 0.67 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2jo0 s ARG 85 Cb -0.23 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 2jo0 s ARG 85 CO 0.56 -0.50 0.18 0.54 0.02 0.00 0.00 175.30 176.11 2jo0 s VAL 86 N -4.05 0.21 0.00 3.52 0.11 -1.26 -5.37 120.40 113.56 2jo0 s VAL 86 Ca 0.26 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.31 2jo0 s VAL 86 Cb 0.03 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.38 2jo0 s VAL 86 CO 0.07 0.00 0.07 -0.11 -3.33 0.00 0.00 175.10 171.80