#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 0.11 0.00 3.17 0.01 -1.26 -5.06 113.70 110.66 2jo0 s SER 2 Ca 0.00 -0.61 0.14 0.00 1.31 0.00 0.00 55.95 56.79 2jo0 s SER 2 Cb 0.00 0.33 0.83 0.00 0.21 0.00 0.00 66.02 67.39 2jo0 s SER 2 CO 0.00 -0.70 1.26 -0.81 0.41 0.00 0.00 173.24 173.40 2jo0 n PRO 3 N 0.05 0.54 -0.09 12.44 -0.04 -1.26 -3.88 135.00 142.77 2jo0 n PRO 3 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 2jo0 n PRO 3 Cb 0.62 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2jo0 n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jo0 n THR 4 N -0.90 1.07 -4.21 0.52 -2.24 -1.26 -5.00 114.28 102.26 2jo0 n THR 4 Ca 0.10 -0.51 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 2jo0 n THR 4 Cb 0.05 -0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 67.21 2jo0 n THR 4 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jo0 s SER 5 N -5.43 1.07 -0.02 3.42 0.01 -1.25 -4.84 113.70 106.65 2jo0 s SER 5 Ca -0.18 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 2jo0 s SER 5 Cb 0.06 -0.05 -0.27 0.00 0.21 0.00 0.00 66.02 65.96 2jo0 s SER 5 CO 0.51 -0.03 0.75 0.16 0.41 0.00 0.00 173.24 175.05 2jo0 h ILE 6 N 4.68 1.03 0.00 1.44 -0.00 -1.91 -3.33 117.51 119.41 2jo0 h ILE 6 Ca -0.34 -2.70 0.00 0.00 -0.00 0.00 0.00 64.86 61.82 2jo0 h ILE 6 Cb 1.19 2.69 0.00 0.00 -0.00 0.00 0.00 36.82 40.70 2jo0 h ILE 6 CO 0.45 0.80 0.00 0.18 -0.00 0.00 0.00 178.15 179.58 2jo0 n LEU 7 N -3.43 0.00 -1.22 0.16 4.32 -1.26 -1.52 117.00 114.06 2jo0 n LEU 7 Ca -0.19 0.01 0.12 0.00 -0.02 0.00 0.00 56.01 55.93 2jo0 n LEU 7 Cb 1.05 -0.01 0.24 0.00 -1.62 0.00 0.00 43.42 43.08 2jo0 n LEU 7 CO 0.49 -0.00 0.72 -0.67 -1.22 0.00 0.00 177.39 176.71 2jo0 n ASP 8 N -1.01 3.61 -4.44 -1.43 2.03 -1.25 -4.90 116.55 109.17 2jo0 n ASP 8 Ca 0.11 -2.00 -0.21 0.00 0.52 0.00 0.00 54.79 53.21 2jo0 n ASP 8 Cb 0.05 -0.31 -0.11 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.38 1.16 -1.45 5.18 1.01 -0.57 -1.85 121.20 123.30 2jo0 s ILE 9 Ca 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2jo0 s ILE 9 Cb 0.24 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2jo0 s ILE 9 CO 0.32 -0.02 0.53 -2.11 0.00 0.00 0.00 174.94 173.67 2jo0 n ARG 10 N -0.66 0.00 -0.26 2.79 -4.01 -1.26 -4.83 116.66 108.42 2jo0 n ARG 10 Ca -0.02 0.10 -0.00 0.00 -1.04 0.00 0.00 57.85 56.88 2jo0 n ARG 10 Cb 0.66 -1.52 -0.00 0.00 -3.04 0.00 0.00 32.46 28.56 2jo0 n ARG 10 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2jo0 n GLN 11 N -1.03 -1.92 -3.24 2.89 6.02 -1.26 -4.76 117.38 114.07 2jo0 n GLN 11 Ca 0.00 0.10 -0.25 0.00 -0.01 0.00 0.00 57.00 56.84 2jo0 n GLN 11 Cb 0.02 -3.06 -0.07 0.00 1.02 0.00 0.00 30.24 28.15 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jo0 n GLY 12 N 0.15 3.95 1.75 1.08 0.00 -1.26 -4.94 105.19 105.92 2jo0 n GLY 12 Ca -0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 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 0.88 0.94 0.09 1.61 -0.04 -1.26 -4.76 135.00 132.46 2jo0 n PRO 13 Ca 0.26 -0.19 0.17 0.00 -0.04 0.00 0.00 63.50 63.70 2jo0 n PRO 13 Cb 0.49 -1.31 0.44 0.00 -0.04 0.00 0.00 33.50 33.08 2jo0 n PRO 13 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jo0 h LYS 14 N 2.25 0.00 0.00 0.54 3.11 -1.98 -3.27 116.57 117.21 2jo0 h LYS 14 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2jo0 h LYS 14 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2jo0 h LYS 14 CO 0.07 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.10 2jo0 n GLU 15 N -3.07 0.00 -0.70 1.90 1.02 -1.26 -4.87 120.64 113.66 2jo0 n GLU 15 Ca 0.09 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 2jo0 n GLU 15 Cb 1.01 -0.27 -0.02 0.00 -0.02 0.00 0.00 31.44 32.14 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jo0 n PRO 16 N -1.87 1.98 0.26 3.49 -0.04 -1.23 -4.70 135.00 132.89 2jo0 n PRO 16 Ca 0.00 -1.40 -0.16 0.00 -0.04 0.00 0.00 63.50 61.90 2jo0 n PRO 16 Cb 0.00 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 30.96 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2jo0 h PHE 17 N 6.38 -0.80 -0.28 0.54 3.57 -1.91 -2.64 116.94 121.80 2jo0 h PHE 17 Ca 0.47 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.83 2jo0 h PHE 17 Cb 0.15 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2jo0 h PHE 17 CO 1.96 -0.46 -0.35 0.07 -2.23 0.00 0.00 178.31 177.31 2jo0 h ARG 18 N -0.72 0.72 0.00 1.11 -0.00 -1.84 0.35 114.38 114.00 2jo0 h ARG 18 Ca -0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 59.98 59.53 2jo0 h ARG 18 Cb 0.61 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 2jo0 h ARG 18 CO 0.02 1.03 0.00 -0.25 -0.00 0.00 0.00 179.97 180.78 2jo0 n ASP 19 N -4.21 0.23 0.00 0.08 9.92 -1.20 -2.88 116.55 118.47 2jo0 n ASP 19 Ca -0.04 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 2jo0 n ASP 19 Cb 0.51 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jo0 n TYR 20 N -1.75 0.00 -0.20 1.24 4.19 -1.00 -4.69 117.16 114.94 2jo0 n TYR 20 Ca 0.03 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.22 2jo0 n TYR 20 Cb 0.18 0.00 0.19 0.00 0.49 0.00 0.00 39.34 40.20 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 1.22 -0.04 2.97 3.04 -0.83 0.32 116.25 122.93 2jo0 h VAL 21 Ca 0.00 -0.62 0.04 0.00 -1.01 0.00 0.00 66.70 65.11 2jo0 h VAL 21 Cb 0.28 0.34 -0.05 0.00 -2.01 0.00 0.00 31.29 29.85 2jo0 h VAL 21 CO 0.00 0.26 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.80 2jo0 h ASP 22 N 0.98 -0.71 0.70 3.17 3.58 -1.77 0.32 116.42 122.70 2jo0 h ASP 22 Ca 0.24 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 2jo0 h ASP 22 Cb 0.10 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2jo0 h ASP 22 CO -0.03 -0.30 -0.04 0.03 -2.88 0.00 0.00 179.24 176.02 2jo0 h ARG 23 N -0.35 0.00 0.00 0.28 2.47 -1.69 -0.36 114.38 114.73 2jo0 h ARG 23 Ca 0.07 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 2jo0 h ARG 23 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2jo0 h ARG 23 CO -0.24 0.04 -0.51 0.35 0.56 0.00 0.00 179.97 180.17 2jo0 h PHE 24 N 0.00 0.00 -0.15 3.04 3.57 -0.15 -3.36 116.94 119.90 2jo0 h PHE 24 Ca -0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2jo0 h PHE 24 Cb 0.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2jo0 h PHE 24 CO 0.00 0.99 0.19 1.88 -2.23 0.00 0.00 178.31 179.14 2jo0 h TYR 25 N -1.00 0.00 0.00 0.41 -1.99 -0.72 -0.40 116.97 113.27 2jo0 h TYR 25 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 2jo0 h TYR 25 Cb 0.96 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2jo0 h TYR 25 CO 0.14 0.00 0.65 -0.22 -0.00 0.00 0.00 178.16 178.73 2jo0 h LYS 26 N 0.00 0.00 0.00 4.88 3.11 -1.21 -2.61 116.57 120.74 2jo0 h LYS 26 Ca 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2jo0 h LYS 26 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2jo0 h LYS 26 CO -0.00 0.00 -0.37 2.41 -2.81 0.00 0.00 179.45 178.68 2jo0 n THR 27 N -2.52 0.00 -0.28 1.00 -1.04 -0.96 -4.94 114.28 105.54 2jo0 n THR 27 Ca -0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.09 2jo0 n THR 27 Cb 0.67 -0.29 0.24 0.00 -1.82 0.00 0.00 70.33 69.12 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jo0 h LEU 28 N 0.00 0.21 0.00 -4.42 7.12 -0.90 -3.22 115.31 114.10 2jo0 h LEU 28 Ca 0.00 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.15 2jo0 h LEU 28 Cb 0.37 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2jo0 h LEU 28 CO 0.00 0.01 0.35 -2.11 -0.13 0.00 0.00 178.44 176.56 2jo0 n ARG 29 N -5.08 0.00 0.00 1.25 -4.01 -1.00 -0.80 116.66 107.03 2jo0 n ARG 29 Ca 0.18 0.07 0.00 0.00 -1.04 0.00 0.00 57.85 57.06 2jo0 n ARG 29 Cb 0.54 -1.85 0.00 0.00 -3.04 0.00 0.00 32.46 28.11 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 -1.01 0.11 0.26 2.89 0.00 -1.13 -0.93 120.51 120.70 2jo0 n ALA 30 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2jo0 n ALA 30 Cb 0.35 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.48 2jo0 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jo0 h GLU 31 N 0.00 0.00 0.00 0.00 4.81 -0.98 -3.36 114.58 115.06 2jo0 h GLU 31 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jo0 h GLU 31 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jo0 h GLU 31 CO 0.00 0.10 -0.82 0.00 -0.73 0.00 0.00 179.01 177.56 2jo0 n GLN 32 N -4.04 1.19 -3.60 1.92 -0.00 -1.19 -5.08 117.38 106.59 2jo0 n GLN 32 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.92 2jo0 n GLN 32 Cb 0.18 -0.91 -0.02 0.00 -0.00 0.00 0.00 30.24 29.50 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 s ALA 33 N -1.82 -1.84 0.17 2.61 0.00 -1.26 -5.13 121.76 114.49 2jo0 s ALA 33 Ca 0.00 0.78 -0.34 0.00 0.00 0.00 0.00 51.96 52.40 2jo0 s ALA 33 Cb 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 23.12 23.40 2jo0 s ALA 33 CO 0.00 -0.82 1.52 0.43 0.00 0.00 0.00 175.76 176.89 2jo0 n SER 34 N -0.32 2.87 -4.49 0.00 7.64 -1.26 -2.84 113.62 115.22 2jo0 n SER 34 Ca -0.07 1.10 -0.56 0.00 1.01 0.00 0.00 58.87 60.35 2jo0 n SER 34 Cb 0.61 -1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.32 2jo0 n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jo0 n GLN 35 N 3.05 0.73 -3.81 1.43 10.64 -0.11 -4.91 117.38 124.39 2jo0 n GLN 35 Ca 0.16 0.23 -0.05 0.00 -1.83 0.00 0.00 57.00 55.51 2jo0 n GLN 35 Cb 0.28 -2.03 -0.01 0.00 -0.86 0.00 0.00 30.24 27.62 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2jo0 s GLU 36 N 5.15 1.55 0.43 2.61 2.12 -1.26 -5.03 118.70 124.27 2jo0 s GLU 36 Ca 1.09 -0.88 0.11 0.00 0.36 0.00 0.00 54.97 55.65 2jo0 s GLU 36 Cb -1.14 0.51 0.95 0.00 0.26 0.00 0.00 34.13 34.71 2jo0 s GLU 36 CO 0.61 -0.71 2.01 -0.24 -0.54 0.00 0.00 175.26 176.39 2jo0 h VAL 37 N 2.00 1.11 0.00 3.70 3.04 -2.03 -3.28 116.25 120.79 2jo0 h VAL 37 Ca -0.23 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2jo0 h VAL 37 Cb 1.24 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2jo0 h VAL 37 CO 0.26 0.15 0.00 1.17 -1.01 0.00 0.00 177.57 178.14 2jo0 n LYS 38 N -4.39 0.36 -2.65 4.17 4.81 -1.26 -4.85 118.16 114.36 2jo0 n LYS 38 Ca -0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.01 2jo0 n LYS 38 Cb 0.18 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 2jo0 n LYS 38 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jo0 s ASN 39 N 0.12 6.34 0.04 3.14 4.22 -1.24 -4.93 114.94 122.65 2jo0 s ASN 39 Ca 0.00 -1.09 0.01 0.00 -2.14 0.00 0.00 52.86 49.63 2jo0 s ASN 39 Cb 0.00 -2.52 -0.00 0.00 1.28 0.00 0.00 41.25 40.01 2jo0 s ASN 39 CO 0.00 -1.56 0.04 0.00 -2.04 0.00 0.00 177.10 173.54 2jo0 n ALA 40 N 8.60 0.06 -0.71 3.54 0.00 -1.26 -4.89 120.51 125.85 2jo0 n ALA 40 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jo0 n ALA 40 Cb 0.49 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.08 0.00 -4.17 0.00 2.81 -1.26 -4.93 117.12 109.49 2jo0 n MET 41 Ca 0.01 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.74 2jo0 n MET 41 Cb 0.08 -2.00 -0.07 0.00 -0.71 0.00 0.00 33.22 30.52 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 -3.57 0.00 -1.73 2.03 -4.23 -1.26 -5.01 115.64 101.87 2jo0 s THR 42 Ca 0.00 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2jo0 s THR 42 Cb 0.00 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2jo0 s THR 42 CO 0.00 0.00 0.25 -1.84 -0.54 0.00 0.00 174.62 172.49 2jo0 n GLU 43 N -0.53 0.00 0.00 3.99 0.00 -1.26 -4.50 120.64 118.34 2jo0 n GLU 43 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2jo0 n GLU 43 Cb 0.62 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.77 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 -0.72 0.00 0.01 3.84 5.66 -1.26 -4.77 114.28 117.03 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 0.00 -0.87 0.02 0.00 -1.55 0.00 0.00 70.33 67.93 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jo0 n LEU 45 N 2.29 0.02 -3.81 1.09 4.32 -1.26 -4.74 117.00 114.91 2jo0 n LEU 45 Ca 0.00 0.49 -0.05 0.00 -0.02 0.00 0.00 56.01 56.42 2jo0 n LEU 45 Cb 0.00 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.31 2jo0 n LEU 45 CO 0.13 -0.49 0.63 -1.48 -1.22 0.00 0.00 177.39 174.96 2jo0 s LEU 46 N -3.01 -0.16 0.02 2.23 0.05 -1.26 -4.70 118.68 111.86 2jo0 s LEU 46 Ca -0.00 -0.59 0.03 0.00 0.05 0.00 0.00 54.13 53.62 2jo0 s LEU 46 Cb 0.00 2.40 -0.02 0.00 -2.05 0.00 0.00 46.19 46.53 2jo0 s LEU 46 CO 0.01 -1.14 -0.09 -0.69 -0.55 0.00 0.00 176.35 173.89 2jo0 s VAL 47 N -3.22 0.66 0.22 1.48 1.01 -1.26 -4.99 120.40 114.30 2jo0 s VAL 47 Ca 0.13 -0.74 0.19 0.00 0.00 0.00 0.00 61.98 61.56 2jo0 s VAL 47 Cb -0.03 -0.63 0.19 0.00 0.00 0.00 0.00 36.38 35.90 2jo0 s VAL 47 CO 0.05 -0.08 1.51 1.56 0.00 0.00 0.00 175.10 178.14 2jo0 h GLN 48 N 5.19 0.00 0.00 2.72 4.20 -1.95 -1.56 115.11 123.71 2jo0 h GLN 48 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2jo0 h GLN 48 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2jo0 h GLN 48 CO 0.45 0.00 0.00 0.27 -0.67 0.00 0.00 178.83 178.88 2jo0 n ASN 49 N -2.33 0.00 -4.50 1.46 0.23 -1.26 -4.84 115.26 104.01 2jo0 n ASN 49 Ca -0.01 0.20 -0.52 0.00 -0.53 0.00 0.00 54.58 53.71 2jo0 n ASN 49 Cb 0.33 -0.27 -0.07 0.00 -2.08 0.00 0.00 39.78 37.70 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jo0 n ALA 50 N -1.27 0.79 -3.55 -2.53 0.00 -0.59 -4.78 120.51 108.58 2jo0 n ALA 50 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jo0 n ALA 50 Cb 0.03 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.02 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jo0 n ASN 51 N 8.63 1.62 -0.18 0.00 6.94 -1.26 -4.69 115.26 126.32 2jo0 n ASN 51 Ca 0.38 -0.68 -0.05 0.00 -0.02 0.00 0.00 54.58 54.20 2jo0 n ASN 51 Cb 0.20 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.67 2jo0 n ASN 51 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2jo0 h PRO 52 N 0.00 0.63 0.29 -0.53 0.13 -1.89 -3.39 132.00 127.25 2jo0 h PRO 52 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2jo0 h PRO 52 Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 2jo0 h PRO 52 CO 0.00 0.42 -0.14 -0.44 -0.23 0.00 0.00 178.00 177.61 2jo0 h ASP 53 N 0.65 -0.33 0.04 1.44 3.32 -1.91 -2.92 116.42 116.71 2jo0 h ASP 53 Ca 0.22 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.31 2jo0 h ASP 53 Cb 0.02 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2jo0 h ASP 53 CO -0.09 -0.23 -0.44 0.00 -1.72 0.00 0.00 179.24 176.76 2jo0 n LYS 55 N -5.46 -0.27 0.14 0.00 5.02 -1.26 -0.29 118.16 116.04 2jo0 n LYS 55 Ca -0.06 1.45 0.11 0.00 -2.02 0.00 0.00 58.31 57.79 2jo0 n LYS 55 Cb 0.38 -2.15 0.52 0.00 -0.02 0.00 0.00 35.03 33.76 2jo0 n LYS 55 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jo0 n THR 56 N -5.34 0.92 -0.08 -0.18 -1.04 -0.20 -1.36 114.28 106.98 2jo0 n THR 56 Ca 0.08 0.41 -0.08 0.00 -2.04 0.00 0.00 64.05 62.42 2jo0 n THR 56 Cb 0.35 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 2jo0 n THR 56 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jo0 n ILE 57 N -2.24 1.46 0.34 12.58 5.41 0.60 -4.40 119.36 133.11 2jo0 n ILE 57 Ca 0.01 0.16 0.21 0.00 1.00 0.00 0.00 62.75 64.14 2jo0 n ILE 57 Cb 0.16 -2.35 1.15 0.00 -0.71 0.00 0.00 39.64 37.89 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 -1.00 0.00 -1.90 1.39 4.07 -1.13 -0.35 115.31 116.38 2jo0 h LEU 58 Ca -0.03 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.24 2jo0 h LEU 58 Cb 0.75 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 2jo0 h LEU 58 CO -0.02 0.00 0.86 0.11 -1.08 0.00 0.00 178.44 178.31 2jo0 h LYS 59 N 0.00 0.00 -0.00 1.13 1.79 -1.43 0.72 116.57 118.78 2jo0 h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jo0 h LYS 59 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2jo0 h LYS 59 CO -0.00 0.00 -0.12 0.00 -1.08 0.00 0.00 179.45 178.25 2jo0 n ALA 60 N -2.66 2.54 -1.95 3.86 0.00 -0.19 -4.81 120.51 117.30 2jo0 n ALA 60 Ca 0.23 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2jo0 n ALA 60 Cb 1.22 -0.16 0.10 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.50 1.60 -2.71 0.00 0.00 -0.33 -4.86 117.00 110.21 2jo0 n LEU 61 Ca 0.02 -2.63 -0.30 0.00 0.00 0.00 0.00 56.01 53.09 2jo0 n LEU 61 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.28 2jo0 n LEU 61 CO 0.06 0.80 0.50 0.61 0.00 0.00 0.00 177.39 179.36 2jo0 n GLY 62 N -0.35 5.86 1.29 -3.96 0.00 0.10 -4.08 105.19 104.05 2jo0 n GLY 62 Ca 0.11 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.42 0.76 -2.14 1.61 -0.04 -1.26 -4.73 135.00 128.76 2jo0 n PRO 63 Ca 0.41 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.72 2jo0 n PRO 63 Cb 0.51 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.09 -0.59 0.05 0.55 0.00 -1.26 -4.72 120.51 115.62 2jo0 n ALA 64 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2jo0 n ALA 64 Cb 0.38 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.36 3.00 0.15 0.00 0.00 -1.26 -4.91 120.51 116.13 2jo0 n ALA 65 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.36 2jo0 n ALA 65 Cb 0.59 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.51 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 -2.81 0.94 -0.24 0.00 -1.04 -1.26 -2.03 114.28 107.84 2jo0 n THR 66 Ca 0.00 0.72 -0.01 0.00 -2.04 0.00 0.00 64.05 62.72 2jo0 n THR 66 Cb 0.00 -1.72 0.10 0.00 -1.82 0.00 0.00 70.33 66.89 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 0.61 -1.98 -4.42 6.46 -1.91 -2.79 115.31 111.28 2jo0 h LEU 67 Ca 0.00 0.02 0.49 0.00 -0.12 0.00 0.00 57.88 58.28 2jo0 h LEU 67 Cb 0.22 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 2jo0 h LEU 67 CO 0.00 0.40 1.22 -0.33 -0.62 0.00 0.00 178.44 179.10 2jo0 h GLU 68 N 0.74 0.00 0.04 1.25 5.08 -1.75 0.46 114.58 120.41 2jo0 h GLU 68 Ca 0.31 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.43 2jo0 h GLU 68 Cb 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2jo0 h GLU 68 CO -0.17 0.00 -1.25 1.05 -1.00 0.00 0.00 179.01 177.64 2jo0 h GLU 69 N 0.00 0.09 0.00 2.33 4.11 -1.74 -3.41 114.58 115.97 2jo0 h GLU 69 Ca 0.81 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 60.08 2jo0 h GLU 69 Cb 3.24 0.06 0.00 0.00 0.50 0.00 0.00 28.75 32.55 2jo0 h GLU 69 CO -0.02 1.08 0.00 0.52 0.07 0.00 0.00 179.01 180.66 2jo0 h MET 70 N -0.70 0.00 -0.94 1.06 2.86 -0.01 -1.18 114.93 116.03 2jo0 h MET 70 Ca -0.31 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.67 2jo0 h MET 70 Cb 1.47 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.96 2jo0 h MET 70 CO -0.08 0.00 0.32 -0.12 1.06 0.00 0.00 176.91 178.08 2jo0 n MET 71 N -2.61 -0.06 0.00 1.72 0.00 0.66 -3.22 117.12 113.62 2jo0 n MET 71 Ca -0.00 1.34 0.00 0.00 -0.00 0.00 0.00 57.70 59.03 2jo0 n MET 71 Cb 0.15 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.09 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 -5.22 0.00 0.17 1.12 -1.04 -1.17 -4.20 114.28 103.93 2jo0 n THR 72 Ca 0.30 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.33 2jo0 n THR 72 Cb 1.02 -0.09 0.09 0.00 -1.82 0.00 0.00 70.33 69.53 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 -0.96 1.37 -0.28 2.41 0.00 -0.45 -2.04 120.51 120.55 2jo0 n ALA 73 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jo0 n ALA 73 Cb 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2jo0 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 s GLN 75 N -0.37 3.93 0.00 0.00 1.03 -0.87 -1.52 119.66 121.86 2jo0 s GLN 75 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 55.36 55.82 2jo0 s GLN 75 Cb 0.00 -2.91 0.00 0.00 0.03 0.00 0.00 33.01 30.13 2jo0 s GLN 75 CO 0.00 0.47 0.00 0.41 -2.54 0.00 0.00 175.29 173.63 2jo0 n GLY 76 N 0.71 0.13 0.12 2.60 0.00 -1.26 -4.85 105.19 102.64 2jo0 n GLY 76 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2jo0 n GLY 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jo0 n VAL 77 N -2.07 0.81 -0.07 1.61 3.14 -1.26 -3.15 118.33 117.34 2jo0 n VAL 77 Ca 0.00 0.18 -0.10 0.00 -2.96 0.00 0.00 64.34 61.47 2jo0 n VAL 77 Cb 0.17 -1.10 -0.07 0.00 -1.06 0.00 0.00 33.84 31.78 2jo0 n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jo0 n GLY 78 N 0.12 -0.21 0.00 7.55 0.00 -1.26 -5.14 105.19 106.25 2jo0 n GLY 78 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.80 0.90 1.71 -0.02 0.00 -1.19 -4.98 105.19 104.41 2jo0 n GLY 79 Ca -0.25 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.92 1.46 -2.72 1.61 -0.04 -1.26 -4.56 135.00 128.58 2jo0 n PRO 80 Ca 0.00 -0.91 0.02 0.00 -0.04 0.00 0.00 63.50 62.56 2jo0 n PRO 80 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.77 0.33 3.38 0.55 0.00 -1.26 -5.17 105.19 103.79 2jo0 n GLY 81 Ca 0.18 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.18 -0.39 -0.21 1.61 -3.43 -1.26 -4.85 115.29 104.57 2jo0 s HIS 82 Ca 0.12 0.38 -0.23 0.00 -0.80 0.00 0.00 55.06 54.53 2jo0 s HIS 82 Cb -0.00 0.33 0.06 0.00 -1.43 0.00 0.00 32.58 31.54 2jo0 s HIS 82 CO -0.01 -0.65 0.64 0.21 -2.00 0.00 0.00 174.74 172.93 2jo0 s LYS 83 N -2.63 0.79 0.06 -0.38 2.20 -1.26 -5.14 119.74 113.37 2jo0 s LYS 83 Ca -0.04 0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 56.03 2jo0 s LYS 83 Cb -0.00 0.38 -0.08 0.00 -1.51 0.00 0.00 37.83 36.62 2jo0 s LYS 83 CO -0.03 -0.12 1.57 0.00 -0.36 0.00 0.00 175.35 176.41 2jo0 s ALA 84 N 0.08 3.66 -0.30 3.13 0.00 -1.26 -4.99 121.76 122.08 2jo0 s ALA 84 Ca -0.02 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 2jo0 s ALA 84 Cb -0.04 -3.66 0.16 0.00 0.00 0.00 0.00 23.12 19.58 2jo0 s ALA 84 CO 0.02 -1.02 0.93 0.50 0.00 0.00 0.00 175.76 176.20 2jo0 s ARG 85 N 2.43 0.35 0.00 0.00 6.06 -1.26 -5.09 118.95 121.44 2jo0 s ARG 85 Ca 0.71 0.84 0.00 0.00 -2.50 0.00 0.00 55.73 54.77 2jo0 s ARG 85 Cb -0.38 0.45 0.00 0.00 0.06 0.00 0.00 34.95 35.09 2jo0 s ARG 85 CO 0.31 -0.11 0.00 1.33 -2.50 0.00 0.00 175.30 174.32 2jo0 n VAL 86 N 4.87 0.00 0.86 7.11 0.24 -1.26 -5.31 118.33 124.84 2jo0 n VAL 86 Ca -0.11 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.29 2jo0 n VAL 86 Cb 0.53 -0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.98 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87