#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 n SER 2 N 0.00 -2.91 0.21 7.83 3.41 -1.26 -4.86 113.62 116.04 2jo0 n SER 2 Ca 0.00 -0.81 0.15 0.00 -0.26 0.00 0.00 58.87 57.95 2jo0 n SER 2 Cb 0.00 -1.06 0.55 0.00 -0.26 0.00 0.00 64.21 63.43 2jo0 n SER 2 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jo0 h PRO 3 N -0.47 0.00 -6.54 4.33 0.13 -2.06 -3.45 132.00 123.93 2jo0 h PRO 3 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2jo0 h PRO 3 Cb 0.95 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.11 2jo0 h PRO 3 CO 0.32 0.00 0.80 0.99 -0.23 0.00 0.00 178.00 179.88 2jo0 s THR 4 N -3.46 3.11 0.00 1.56 2.01 -1.26 -5.06 115.64 112.53 2jo0 s THR 4 Ca 0.03 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2jo0 s THR 4 Cb 0.09 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2jo0 s THR 4 CO 0.51 0.05 0.00 -1.54 -0.69 0.00 0.00 174.62 172.95 2jo0 n SER 5 N 4.21 -0.10 0.06 3.53 3.41 -1.26 -4.94 113.62 118.53 2jo0 n SER 5 Ca 0.13 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 57.96 2jo0 n SER 5 Cb 0.41 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 2jo0 n SER 5 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2jo0 h ILE 6 N -0.80 1.40 0.00 -1.33 -0.00 -1.90 -3.41 117.51 111.47 2jo0 h ILE 6 Ca 0.00 -2.23 -0.42 0.00 -0.00 0.00 0.00 64.86 62.21 2jo0 h ILE 6 Cb 0.00 2.19 0.02 0.00 -0.00 0.00 0.00 36.82 39.02 2jo0 h ILE 6 CO 0.00 0.66 2.74 0.18 -0.00 0.00 0.00 178.15 181.74 2jo0 n LEU 7 N -3.81 5.35 0.00 2.19 4.77 -1.26 -1.81 117.00 122.43 2jo0 n LEU 7 Ca -0.04 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 2jo0 n LEU 7 Cb 0.73 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2jo0 n LEU 7 CO 0.48 0.75 0.00 -0.67 -1.33 0.00 0.00 177.39 176.62 2jo0 n ASP 8 N 4.28 0.00 -4.89 -1.43 2.03 -1.26 -5.12 116.55 110.16 2jo0 n ASP 8 Ca 0.48 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.50 2jo0 n ASP 8 Cb 0.15 0.37 0.05 0.00 -0.72 0.00 0.00 41.12 40.98 2jo0 n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jo0 s ILE 9 N -1.76 3.25 -0.44 5.18 1.01 -0.75 -4.94 121.20 122.75 2jo0 s ILE 9 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2jo0 s ILE 9 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2jo0 s ILE 9 CO 0.00 -0.53 0.52 -2.11 0.00 0.00 0.00 174.94 172.83 2jo0 n ARG 10 N -3.05 0.00 -0.20 2.79 -4.01 -1.26 -4.81 116.66 106.12 2jo0 n ARG 10 Ca 0.07 0.12 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 2jo0 n ARG 10 Cb 0.58 -1.73 0.00 0.00 -3.04 0.00 0.00 32.46 28.26 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 -1.02 -1.39 -2.73 2.89 10.64 -1.26 -4.55 117.38 119.96 2jo0 n GLN 11 Ca 0.00 0.08 -0.07 0.00 -1.83 0.00 0.00 57.00 55.18 2jo0 n GLN 11 Cb 0.23 -2.69 0.07 0.00 -0.86 0.00 0.00 30.24 26.99 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 0.25 -0.17 0.26 2.61 0.00 -1.26 -4.96 105.19 101.92 2jo0 n GLY 12 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jo0 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jo0 h PRO 13 N 3.52 0.46 0.00 1.61 0.13 -1.89 -3.47 132.00 132.36 2jo0 h PRO 13 Ca -0.16 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jo0 h PRO 13 Cb 1.08 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2jo0 h PRO 13 CO 0.19 0.53 0.00 1.17 -0.23 0.00 0.00 178.00 179.66 2jo0 n LYS 14 N -4.26 0.00 0.00 0.86 4.81 -1.26 -3.76 118.16 114.55 2jo0 n LYS 14 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2jo0 n LYS 14 Cb 0.27 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.02 2jo0 n LYS 14 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jo0 n GLU 15 N 0.00 0.00 -0.72 1.64 0.00 -1.26 -4.38 120.64 115.92 2jo0 n GLU 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2jo0 n GLU 15 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.85 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2jo0 n PRO 16 N -2.89 0.01 0.27 5.31 -0.04 -1.25 -4.43 135.00 131.98 2jo0 n PRO 16 Ca 0.00 -0.79 -0.14 0.00 -0.04 0.00 0.00 63.50 62.54 2jo0 n PRO 16 Cb 0.45 -2.21 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jo0 h PHE 17 N 9.38 -0.99 -0.37 0.54 -1.00 -1.92 -3.01 116.94 119.56 2jo0 h PHE 17 Ca 0.17 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 2jo0 h PHE 17 Cb 0.68 0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 2jo0 h PHE 17 CO 1.02 -0.52 0.20 0.07 -1.61 0.00 0.00 178.31 177.47 2jo0 h ARG 18 N -0.82 0.52 0.00 1.51 -0.00 -1.95 0.13 114.38 113.77 2jo0 h ARG 18 Ca -0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 2jo0 h ARG 18 Cb 0.68 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 2jo0 h ARG 18 CO 0.02 0.44 0.02 0.22 -0.00 0.00 0.00 179.97 180.67 2jo0 h ASP 19 N 0.47 0.00 0.00 0.08 3.58 -1.96 -2.71 116.42 115.88 2jo0 h ASP 19 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2jo0 h ASP 19 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2jo0 h ASP 19 CO -0.02 0.00 -0.86 0.00 -2.88 0.00 0.00 179.24 175.48 2jo0 n TYR 20 N -2.77 0.00 -0.19 0.28 9.36 -1.14 -4.64 117.16 118.06 2jo0 n TYR 20 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.14 2jo0 n TYR 20 Cb 0.08 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.83 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jo0 h VAL 21 N 0.00 1.10 -0.36 2.97 3.04 -0.42 0.18 116.25 122.76 2jo0 h VAL 21 Ca 0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.43 2jo0 h VAL 21 Cb 0.67 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 2jo0 h VAL 21 CO 0.00 0.13 0.16 0.44 -1.01 0.00 0.00 177.57 177.29 2jo0 h ASP 22 N 0.71 0.49 1.27 3.17 3.32 -1.78 0.12 116.42 123.73 2jo0 h ASP 22 Ca 0.22 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2jo0 h ASP 22 Cb -0.03 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2jo0 h ASP 22 CO -0.07 0.49 -0.11 0.03 -1.72 0.00 0.00 179.24 177.86 2jo0 h ARG 23 N 0.45 0.00 0.03 3.56 2.47 -1.72 -2.88 114.38 116.28 2jo0 h ARG 23 Ca 0.12 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.52 2jo0 h ARG 23 Cb 0.15 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 2jo0 h ARG 23 CO -0.01 0.11 -1.77 0.34 0.56 0.00 0.00 179.97 179.20 2jo0 n PHE 24 N -3.19 0.78 -0.15 3.04 7.35 0.59 -4.31 117.46 121.57 2jo0 n PHE 24 Ca 0.01 0.28 0.27 0.00 -0.76 0.00 0.00 57.45 57.25 2jo0 n PHE 24 Cb 0.44 -1.09 0.71 0.00 0.35 0.00 0.00 39.48 39.89 2jo0 n PHE 24 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2jo0 h TYR 25 N -0.72 0.03 -0.90 -5.13 -1.99 -0.79 0.27 116.97 107.74 2jo0 h TYR 25 Ca -0.46 0.00 0.35 0.00 2.00 0.00 0.00 58.73 60.62 2jo0 h TYR 25 Cb 1.56 -0.01 -0.13 0.00 2.00 0.00 0.00 36.73 40.15 2jo0 h TYR 25 CO 0.05 0.01 0.52 1.17 -0.00 0.00 0.00 178.16 179.91 2jo0 n LYS 26 N -4.30 -0.04 0.00 4.88 0.00 -1.09 -2.59 118.16 115.02 2jo0 n LYS 26 Ca 0.17 1.06 0.00 0.00 0.00 0.00 0.00 58.31 59.54 2jo0 n LYS 26 Cb 0.89 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.95 2jo0 n LYS 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2jo0 n THR 27 N -4.62 0.00 -0.28 3.15 -2.24 -0.00 -4.70 114.28 105.58 2jo0 n THR 27 Ca 0.31 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.19 2jo0 n THR 27 Cb 1.10 -0.55 0.25 0.00 -2.10 0.00 0.00 70.33 69.03 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jo0 h LEU 28 N 0.00 -0.02 0.00 3.22 5.85 -1.35 0.25 115.31 123.26 2jo0 h LEU 28 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2jo0 h LEU 28 Cb 0.71 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jo0 h LEU 28 CO 0.00 -0.12 0.00 -2.11 -0.34 0.00 0.00 178.44 175.87 2jo0 n ARG 29 N -5.21 0.05 0.00 1.25 -4.01 -1.07 -0.65 116.66 107.02 2jo0 n ARG 29 Ca 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 2jo0 n ARG 29 Cb 0.60 -1.22 0.00 0.00 -3.04 0.00 0.00 32.46 28.79 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 -0.72 0.53 -0.01 2.89 0.00 0.73 -4.52 120.51 119.41 2jo0 n ALA 30 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 30 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2jo0 n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jo0 n GLU 31 N -0.35 3.33 0.02 0.00 0.28 -0.31 -4.55 120.64 119.06 2jo0 n GLU 31 Ca 0.00 -0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2jo0 n GLU 31 Cb 0.00 -1.03 -0.08 0.00 1.43 0.00 0.00 31.44 31.76 2jo0 n GLU 31 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2jo0 n GLN 32 N -1.99 0.44 0.00 3.44 0.00 0.18 -4.99 117.38 114.46 2jo0 n GLN 32 Ca -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.92 2jo0 n GLN 32 Cb 0.48 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.14 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 n ALA 33 N -2.00 0.00 -1.77 1.69 0.00 -0.10 -4.96 120.51 113.37 2jo0 n ALA 33 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2jo0 n ALA 33 Cb 0.49 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 2jo0 n ALA 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jo0 s SER 34 N -2.09 6.62 -0.11 0.00 0.01 -1.24 -4.65 113.70 112.24 2jo0 s SER 34 Ca 0.00 2.59 0.10 0.00 1.31 0.00 0.00 55.95 59.96 2jo0 s SER 34 Cb 0.00 -2.64 0.24 0.00 0.21 0.00 0.00 66.02 63.83 2jo0 s SER 34 CO 0.00 -0.63 1.18 1.67 0.41 0.00 0.00 173.24 175.87 2jo0 n GLN 35 N 0.50 0.52 -4.08 12.44 -0.06 -1.26 -2.64 117.38 122.80 2jo0 n GLN 35 Ca 0.02 -1.50 -0.11 0.00 -2.00 0.00 0.00 57.00 53.41 2jo0 n GLN 35 Cb 0.43 0.17 -0.06 0.00 -4.06 0.00 0.00 30.24 26.72 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2jo0 s GLU 36 N -0.36 1.56 0.63 3.69 2.12 -1.26 -5.04 118.70 120.04 2jo0 s GLU 36 Ca 0.11 -1.49 0.30 0.00 0.36 0.00 0.00 54.97 54.26 2jo0 s GLU 36 Cb 0.22 0.41 1.65 0.00 0.26 0.00 0.00 34.13 36.67 2jo0 s GLU 36 CO -0.07 -0.62 1.98 0.28 -0.54 0.00 0.00 175.26 176.29 2jo0 h VAL 37 N 2.30 0.20 0.00 3.70 2.07 -2.04 -1.58 116.25 120.90 2jo0 h VAL 37 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jo0 h VAL 37 Cb 1.25 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jo0 h VAL 37 CO 0.41 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.29 2jo0 n LYS 38 N -3.32 0.95 -1.48 1.57 2.85 -1.26 -4.87 118.16 112.60 2jo0 n LYS 38 Ca 0.02 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.80 2jo0 n LYS 38 Cb 0.43 -1.37 -0.07 0.00 -0.65 0.00 0.00 35.03 33.38 2jo0 n LYS 38 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jo0 n ASN 39 N -0.10 2.17 -4.97 -5.58 5.15 -0.60 -4.93 115.26 106.40 2jo0 n ASN 39 Ca 0.00 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 54.05 2jo0 n ASN 39 Cb 0.18 -1.32 -0.00 0.00 -0.53 0.00 0.00 39.78 38.11 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 s ALA 40 N 8.19 4.37 -0.85 5.20 0.00 -1.26 -4.99 121.76 132.42 2jo0 s ALA 40 Ca 1.09 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2jo0 s ALA 40 Cb -0.73 -1.48 -0.21 0.00 0.00 0.00 0.00 23.12 20.70 2jo0 s ALA 40 CO 0.44 -0.23 2.39 -1.33 0.00 0.00 0.00 175.76 177.03 2jo0 n MET 41 N -1.74 0.35 -3.77 0.00 2.81 -1.26 -4.73 117.12 108.78 2jo0 n MET 41 Ca 0.06 -0.25 -0.12 0.00 -1.81 0.00 0.00 57.70 55.58 2jo0 n MET 41 Cb 0.60 -2.32 -0.00 0.00 -0.71 0.00 0.00 33.22 30.78 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jo0 n THR 42 N 7.31 0.00 0.00 2.03 -2.24 -1.26 -5.02 114.28 115.10 2jo0 n THR 42 Ca 0.56 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2jo0 n THR 42 Cb 0.27 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2jo0 n THR 42 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jo0 n GLU 43 N -0.53 0.00 -0.01 -0.78 0.00 -1.26 -4.51 120.64 113.54 2jo0 n GLU 43 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.40 2jo0 n GLU 43 Cb 0.56 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.31 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 -1.25 0.00 0.00 3.84 5.66 -1.26 -4.80 114.28 116.47 2jo0 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jo0 n THR 44 Cb 0.19 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 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 2.25 0.00 -3.67 1.09 -0.00 -1.26 -4.80 117.00 110.62 2jo0 n LEU 45 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2jo0 n LEU 45 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2jo0 n LEU 45 CO 0.12 0.00 0.86 -1.48 -0.00 0.00 0.00 177.39 176.89 2jo0 s LEU 46 N -1.14 -0.15 -0.05 1.47 -0.00 -1.26 -4.91 118.68 112.63 2jo0 s LEU 46 Ca 0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 54.13 53.88 2jo0 s LEU 46 Cb 0.00 1.80 0.04 0.00 -0.00 0.00 0.00 46.19 48.03 2jo0 s LEU 46 CO 0.00 -0.60 0.12 -0.69 -0.00 0.00 0.00 176.35 175.18 2jo0 s VAL 47 N -2.89 -0.05 0.15 1.48 1.01 -1.26 -4.99 120.40 113.85 2jo0 s VAL 47 Ca 0.12 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 2jo0 s VAL 47 Cb 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.24 2jo0 s VAL 47 CO -0.02 0.08 1.68 1.56 0.00 0.00 0.00 175.10 178.40 2jo0 h GLN 48 N 7.23 0.00 0.00 2.72 4.20 -1.95 -2.64 115.11 124.68 2jo0 h GLN 48 Ca -0.43 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2jo0 h GLN 48 Cb 1.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2jo0 h GLN 48 CO 0.44 0.00 0.08 -2.95 -0.67 0.00 0.00 178.83 175.73 2jo0 h ASN 49 N 0.00 0.00 -4.16 1.46 7.08 -1.98 -3.45 115.58 114.54 2jo0 h ASN 49 Ca 0.16 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.84 2jo0 h ASN 49 Cb 0.24 0.00 0.15 0.00 -2.08 0.00 0.00 38.32 36.63 2jo0 h ASN 49 CO -0.33 0.00 0.42 0.00 -2.08 0.00 0.00 177.43 175.43 2jo0 s ALA 50 N -3.53 2.20 0.55 4.14 0.00 -1.00 -5.05 121.76 119.08 2jo0 s ALA 50 Ca -0.02 0.94 0.08 0.00 0.00 0.00 0.00 51.96 52.95 2jo0 s ALA 50 Cb 0.06 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2jo0 s ALA 50 CO 0.19 -1.76 0.65 0.54 0.00 0.00 0.00 175.76 175.37 2jo0 s ASN 51 N -1.91 4.97 0.50 0.00 4.22 -1.26 -4.88 114.94 116.58 2jo0 s ASN 51 Ca 0.76 -0.96 0.21 0.00 -2.14 0.00 0.00 52.86 50.73 2jo0 s ASN 51 Cb -0.30 0.27 1.29 0.00 1.28 0.00 0.00 41.25 43.79 2jo0 s ASN 51 CO 0.43 -1.22 2.08 1.55 -2.04 0.00 0.00 177.10 177.90 2jo0 h PRO 52 N 0.41 0.00 0.20 3.55 0.13 -1.94 -2.10 132.00 132.25 2jo0 h PRO 52 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2jo0 h PRO 52 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jo0 h PRO 52 CO 0.47 0.11 -0.10 0.22 -0.23 0.00 0.00 178.00 178.47 2jo0 h ASP 53 N 0.00 -0.23 -0.75 1.44 3.58 -1.95 0.39 116.42 118.90 2jo0 h ASP 53 Ca -0.00 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.63 2jo0 h ASP 53 Cb 0.24 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.22 2jo0 h ASP 53 CO 0.01 -0.16 0.08 0.00 -2.88 0.00 0.00 179.24 176.30 2jo0 h LYS 55 N 0.16 -1.08 0.00 0.00 6.56 -1.40 -1.80 116.57 119.01 2jo0 h LYS 55 Ca 0.42 0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 60.08 2jo0 h LYS 55 Cb 0.74 0.25 -0.00 0.00 -0.57 0.00 0.00 32.23 32.65 2jo0 h LYS 55 CO -0.60 -0.72 -0.02 0.00 -2.06 0.00 0.00 179.45 176.05 2jo0 h THR 56 N -1.12 0.09 0.00 -0.16 1.03 -0.22 -2.19 112.91 110.35 2jo0 h THR 56 Ca -0.09 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 2jo0 h THR 56 Cb 0.93 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 2jo0 h THR 56 CO 0.04 0.02 -0.10 0.40 -0.01 0.00 0.00 175.52 175.87 2jo0 h ILE 57 N 0.00 0.00 0.00 0.00 2.04 -0.95 -3.38 117.51 115.23 2jo0 h ILE 57 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2jo0 h ILE 57 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2jo0 h ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2jo0 h LEU 58 N -0.72 0.00 -1.08 1.44 4.07 -1.36 -1.46 115.31 116.20 2jo0 h LEU 58 Ca 0.00 0.00 0.38 0.00 0.08 0.00 0.00 57.88 58.34 2jo0 h LEU 58 Cb 0.10 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.68 2jo0 h LEU 58 CO 0.00 0.00 0.61 0.11 -1.08 0.00 0.00 178.44 178.08 2jo0 h LYS 59 N 0.00 0.14 0.00 1.13 1.79 -1.56 -1.31 116.57 116.77 2jo0 h LYS 59 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2jo0 h LYS 59 Cb 0.36 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jo0 h LYS 59 CO 0.00 0.09 -1.32 0.00 -1.08 0.00 0.00 179.45 177.14 2jo0 n ALA 60 N -2.32 2.80 -2.42 3.86 0.00 -0.62 -4.55 120.51 117.27 2jo0 n ALA 60 Ca 0.35 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 2jo0 n ALA 60 Cb 1.19 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 20.20 2jo0 n ALA 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jo0 n LEU 61 N -1.77 5.72 -3.30 0.00 0.00 -0.51 -4.81 117.00 112.32 2jo0 n LEU 61 Ca -0.01 -5.21 -0.36 0.00 0.00 0.00 0.00 56.01 50.42 2jo0 n LEU 61 Cb 0.30 -0.72 0.01 0.00 0.00 0.00 0.00 43.42 43.01 2jo0 n LEU 61 CO 0.27 2.11 1.04 0.61 0.00 0.00 0.00 177.39 181.42 2jo0 n GLY 62 N -0.42 5.93 0.74 -3.96 0.00 -1.11 -4.51 105.19 101.86 2jo0 n GLY 62 Ca 0.43 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.19 0.92 -3.14 1.61 -0.04 -1.26 -4.82 135.00 128.07 2jo0 n PRO 63 Ca 0.43 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.69 2jo0 n PRO 63 Cb 0.31 -1.26 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.28 -1.00 -2.00 0.55 0.00 -1.26 -4.83 120.51 112.25 2jo0 n ALA 64 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jo0 n ALA 64 Cb 0.34 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -3.21 0.00 -0.30 0.00 0.00 -1.26 -5.01 120.51 110.73 2jo0 n ALA 65 Ca -0.04 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.69 2jo0 n ALA 65 Cb 0.55 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.45 2jo0 n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jo0 n THR 66 N 0.00 0.00 -0.32 0.00 -1.04 -1.26 -1.59 114.28 110.06 2jo0 n THR 66 Ca 0.00 1.07 0.19 0.00 -2.04 0.00 0.00 64.05 63.27 2jo0 n THR 66 Cb 0.00 -1.86 0.39 0.00 -1.82 0.00 0.00 70.33 67.03 2jo0 n THR 66 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jo0 h LEU 67 N 0.00 -0.03 -2.00 -4.42 6.46 -1.95 -0.85 115.31 112.52 2jo0 h LEU 67 Ca 0.51 0.24 0.46 0.00 -0.12 0.00 0.00 57.88 58.98 2jo0 h LEU 67 Cb 2.58 0.33 -0.06 0.00 -0.73 0.00 0.00 40.66 42.77 2jo0 h LEU 67 CO -0.01 -0.30 1.15 -0.33 -0.62 0.00 0.00 178.44 178.34 2jo0 h GLU 68 N 0.10 0.00 0.00 1.25 5.08 -1.66 0.38 114.58 119.73 2jo0 h GLU 68 Ca 0.66 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.97 2jo0 h GLU 68 Cb 1.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2jo0 h GLU 68 CO -0.77 0.00 -0.37 1.05 -1.00 0.00 0.00 179.01 177.92 2jo0 h GLU 69 N 0.00 0.00 -0.04 2.33 4.11 -1.43 -3.40 114.58 116.15 2jo0 h GLU 69 Ca 0.76 0.00 0.01 0.00 0.07 0.00 0.00 59.36 60.20 2jo0 h GLU 69 Cb 3.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.29 2jo0 h GLU 69 CO -0.01 0.69 0.08 0.52 0.07 0.00 0.00 179.01 180.36 2jo0 h MET 70 N -1.00 0.00 -0.72 1.06 2.86 -0.30 0.72 114.93 117.55 2jo0 h MET 70 Ca -0.09 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 2jo0 h MET 70 Cb 0.82 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.35 2jo0 h MET 70 CO -0.05 0.00 -0.20 -0.12 1.06 0.00 0.00 176.91 177.59 2jo0 n MET 71 N -3.48 -0.09 -0.02 1.72 0.00 0.95 -2.38 117.12 113.82 2jo0 n MET 71 Ca -0.02 1.12 -0.02 0.00 0.00 0.00 0.00 57.70 58.78 2jo0 n MET 71 Cb 0.16 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 31.67 2jo0 n MET 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jo0 n THR 72 N -5.15 0.27 0.17 1.12 -1.04 -0.96 -4.25 114.28 104.45 2jo0 n THR 72 Ca 0.11 -0.16 0.08 0.00 -2.04 0.00 0.00 64.05 62.03 2jo0 n THR 72 Cb 0.34 -0.88 0.42 0.00 -1.82 0.00 0.00 70.33 68.40 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 n ALA 73 N -2.18 1.15 -0.15 2.41 0.00 0.21 -0.99 120.51 120.96 2jo0 n ALA 73 Ca -0.07 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 73 Cb 0.63 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 19.07 2jo0 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n GLN 75 N 1.24 0.19 0.00 0.00 -0.00 -0.16 -1.63 117.38 117.03 2jo0 n GLN 75 Ca 0.19 0.05 0.07 0.00 -0.00 0.00 0.00 57.00 57.31 2jo0 n GLN 75 Cb 0.55 -1.12 0.34 0.00 -0.00 0.00 0.00 30.24 30.00 2jo0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jo0 n GLY 76 N 3.06 -0.80 0.24 2.61 0.00 -1.08 -2.81 105.19 106.42 2jo0 n GLY 76 Ca -0.14 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2jo0 n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jo0 h VAL 77 N 0.00 0.00 -2.36 1.61 3.04 -1.81 -3.48 116.25 113.26 2jo0 h VAL 77 Ca 0.00 -0.20 0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2jo0 h VAL 77 Cb 0.15 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2jo0 h VAL 77 CO 0.00 0.00 0.18 0.61 -1.01 0.00 0.00 177.57 177.35 2jo0 n GLY 78 N -0.56 1.33 3.84 3.17 0.00 -1.12 -5.13 105.19 106.70 2jo0 n GLY 78 Ca -0.01 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2jo0 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jo0 s GLY 79 N -2.21 1.95 0.15 -0.02 0.00 -1.26 -4.99 107.32 100.93 2jo0 s GLY 79 Ca 0.09 0.16 0.26 0.00 0.00 0.00 0.00 44.72 45.22 2jo0 s GLY 79 CO 0.05 0.44 1.65 -1.55 0.00 0.00 0.00 173.10 173.69 2jo0 n PRO 80 N -2.08 0.22 0.00 2.90 -0.04 -1.26 -4.99 135.00 129.75 2jo0 n PRO 80 Ca 0.07 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jo0 n PRO 80 Cb 0.54 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 1.35 2.02 3.60 0.55 0.00 -1.26 -4.87 105.19 106.58 2jo0 n GLY 81 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jo0 s HIS 82 N 0.00 0.45 -0.23 1.61 -3.43 -1.26 -5.17 115.29 107.26 2jo0 s HIS 82 Ca 0.00 -0.82 -0.04 0.00 -0.80 0.00 0.00 55.06 53.40 2jo0 s HIS 82 Cb 0.00 0.21 0.13 0.00 -1.43 0.00 0.00 32.58 31.49 2jo0 s HIS 82 CO 0.00 -1.08 0.40 0.21 -2.00 0.00 0.00 174.74 172.27 2jo0 s LYS 83 N -3.68 0.35 0.30 -0.38 2.20 -1.26 -5.14 119.74 112.13 2jo0 s LYS 83 Ca 0.23 0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 2jo0 s LYS 83 Cb -0.01 -0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 35.98 2jo0 s LYS 83 CO 0.11 -0.54 1.43 0.00 -0.36 0.00 0.00 175.35 175.99 2jo0 s ALA 84 N 2.58 3.59 0.21 3.13 0.00 -1.26 -5.03 121.76 124.98 2jo0 s ALA 84 Ca 0.10 1.39 -0.22 0.00 0.00 0.00 0.00 51.96 53.22 2jo0 s ALA 84 Cb -0.15 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.46 2jo0 s ALA 84 CO -0.15 -0.81 0.69 -0.98 0.00 0.00 0.00 175.76 174.51 2jo0 s ARG 85 N -1.14 1.51 0.33 0.00 1.04 -1.26 -5.16 118.95 114.27 2jo0 s ARG 85 Ca 0.55 -0.73 -0.29 0.00 -1.04 0.00 0.00 55.73 54.22 2jo0 s ARG 85 Cb -0.43 0.58 -0.11 0.00 -2.04 0.00 0.00 34.95 32.95 2jo0 s ARG 85 CO 0.51 -0.68 1.45 0.54 -0.04 0.00 0.00 175.30 177.08 2jo0 s VAL 86 N -3.78 2.31 0.00 4.99 0.11 -1.26 -5.36 120.40 117.41 2jo0 s VAL 86 Ca 0.07 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2jo0 s VAL 86 Cb -0.03 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2jo0 s VAL 86 CO -0.02 0.06 0.00 -0.11 -3.33 0.00 0.00 175.10 171.70