#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ob0 n LYS 2 N 0.00 1.16 -1.03 4.33 4.81 -1.26 -0.94 118.16 125.23 2ob0 n LYS 2 Ca 0.00 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 2ob0 n LYS 2 Cb 0.00 -2.18 -0.00 0.00 0.02 0.00 0.00 35.03 32.86 2ob0 n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ob0 n GLY 3 N 4.83 0.42 3.77 3.14 0.00 -1.26 -5.00 105.19 111.09 2ob0 n GLY 3 Ca 0.30 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2ob0 n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ob0 s SER 4 N -2.14 6.04 0.00 1.61 0.15 -0.12 -4.92 113.70 114.32 2ob0 s SER 4 Ca 0.00 2.76 0.21 0.00 0.70 0.00 0.00 55.95 59.61 2ob0 s SER 4 Cb 0.00 -2.64 0.56 0.00 -1.71 0.00 0.00 66.02 62.23 2ob0 s SER 4 CO 0.00 -1.05 1.45 0.54 1.20 0.00 0.00 173.24 175.39 2ob0 n ARG 5 N -0.13 2.11 -5.00 5.44 1.74 -1.26 -4.88 116.66 114.68 2ob0 n ARG 5 Ca 0.05 -1.69 -0.32 0.00 -0.77 0.00 0.00 57.85 55.12 2ob0 n ARG 5 Cb 0.43 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 2ob0 n ARG 5 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ob0 s ILE 6 N -1.59 2.58 0.01 0.55 1.01 -1.26 -0.16 121.20 122.33 2ob0 s ILE 6 Ca 0.35 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2ob0 s ILE 6 Cb 0.19 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2ob0 s ILE 6 CO 0.28 0.55 0.00 -1.61 0.00 0.00 0.00 174.94 174.16 2ob0 s GLU 7 N 0.19 0.18 0.03 2.79 2.02 -0.67 -4.99 118.70 118.26 2ob0 s GLU 7 Ca -0.11 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 2ob0 s GLU 7 Cb -0.16 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 2ob0 s GLU 7 CO 0.06 -0.03 0.23 -0.51 0.02 0.00 0.00 175.26 175.03 2ob0 s LEU 8 N -0.74 4.35 0.08 1.80 1.43 -1.26 -0.40 118.68 123.94 2ob0 s LEU 8 Ca -0.08 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2ob0 s LEU 8 Cb -0.05 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2ob0 s LEU 8 CO -0.00 0.21 -0.06 -0.83 0.23 0.00 0.00 176.35 175.90 2ob0 s GLY 9 N -2.11 0.66 0.57 -3.19 0.00 0.17 -4.97 107.32 98.46 2ob0 s GLY 9 Ca 0.31 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 2ob0 s GLY 9 CO 0.21 -1.37 1.16 0.99 0.00 0.00 0.00 173.10 174.09 2ob0 s ASP 10 N -2.91 5.50 -0.10 1.64 1.01 -1.26 -0.83 116.67 119.73 2ob0 s ASP 10 Ca 0.09 2.25 -0.15 0.00 0.71 0.00 0.00 52.55 55.44 2ob0 s ASP 10 Cb 0.05 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2ob0 s ASP 10 CO -0.06 -1.37 0.37 -0.69 0.21 0.00 0.00 175.17 173.63 2ob0 s VAL 11 N -1.73 5.20 0.20 -1.27 1.01 -1.26 -4.67 120.40 117.87 2ob0 s VAL 11 Ca 0.74 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 2ob0 s VAL 11 Cb -0.26 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ob0 s VAL 11 CO 0.30 0.44 0.21 0.42 0.00 0.00 0.00 175.10 176.47 2ob0 s THR 12 N -0.03 0.02 0.63 3.92 -4.23 -1.26 -4.92 115.64 109.77 2ob0 s THR 12 Ca 0.21 -1.80 0.36 0.00 -1.18 0.00 0.00 61.69 59.28 2ob0 s THR 12 Cb -0.15 -2.32 0.39 0.00 1.34 0.00 0.00 72.50 71.77 2ob0 s THR 12 CO 0.08 -0.08 2.26 -0.65 -0.54 0.00 0.00 174.62 175.69 2ob0 h PRO 13 N 2.56 0.00 -0.05 3.99 0.11 -1.98 -0.66 132.00 135.97 2ob0 h PRO 13 Ca -0.33 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.64 2ob0 h PRO 13 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2ob0 h PRO 13 CO 0.49 0.00 -0.61 1.25 -0.21 0.00 0.00 178.00 178.93 2ob0 h HIS 14 N 0.00 0.23 0.00 0.65 -0.00 -2.00 -3.35 115.15 110.68 2ob0 h HIS 14 Ca 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2ob0 h HIS 14 Cb 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 2ob0 h HIS 14 CO 0.00 0.74 0.00 0.27 -0.00 0.00 0.00 177.93 178.94 2ob0 n ASN 15 N -3.86 1.80 0.22 3.26 0.23 -0.81 -4.65 115.26 111.46 2ob0 n ASN 15 Ca -0.02 -1.87 0.07 0.00 -0.53 0.00 0.00 54.58 52.22 2ob0 n ASN 15 Cb 0.62 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.89 2ob0 n ASN 15 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2ob0 h ILE 16 N 0.20 1.05 -0.17 1.53 6.09 -1.29 -1.25 117.51 123.67 2ob0 h ILE 16 Ca 0.00 -0.21 -0.08 0.00 -1.37 0.00 0.00 64.86 63.20 2ob0 h ILE 16 Cb 0.50 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 2ob0 h ILE 16 CO 0.00 0.07 -0.23 0.11 -3.07 0.00 0.00 178.15 175.03 2ob0 h LYS 17 N 0.06 0.31 -0.35 2.19 1.57 -1.84 -2.02 116.57 116.50 2ob0 h LYS 17 Ca 0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2ob0 h LYS 17 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2ob0 h LYS 17 CO 0.00 0.53 0.10 0.37 -0.57 0.00 0.00 179.45 179.88 2ob0 h GLN 18 N 0.28 0.55 -0.40 3.15 5.75 -1.57 -1.49 115.11 121.39 2ob0 h GLN 18 Ca 0.05 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2ob0 h GLN 18 Cb 0.56 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 2ob0 h GLN 18 CO 0.04 0.58 0.15 1.25 -2.65 0.00 0.00 178.83 178.20 2ob0 h LEU 19 N 0.41 0.17 -0.54 -2.39 5.85 -1.14 -1.44 115.31 116.24 2ob0 h LEU 19 Ca 0.11 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2ob0 h LEU 19 Cb 0.26 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ob0 h LEU 19 CO -0.00 0.14 0.26 0.50 -0.34 0.00 0.00 178.44 179.00 2ob0 h LYS 20 N 0.32 0.78 -0.60 1.25 3.64 -1.19 -0.13 116.57 120.63 2ob0 h LYS 20 Ca 0.18 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2ob0 h LYS 20 Cb 0.15 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2ob0 h LYS 20 CO -0.17 0.64 0.32 -0.09 -2.27 0.00 0.00 179.45 177.88 2ob0 h ARG 21 N 0.73 0.59 -0.21 1.90 2.43 -1.04 -1.38 114.38 117.39 2ob0 h ARG 21 Ca 0.19 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2ob0 h ARG 21 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2ob0 h ARG 21 CO -0.02 0.39 0.00 -0.07 -1.51 0.00 0.00 179.97 178.76 2ob0 h LEU 22 N 0.61 0.36 -1.32 3.80 3.38 -0.80 -3.04 115.31 118.29 2ob0 h LEU 22 Ca 0.27 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2ob0 h LEU 22 Cb 0.17 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2ob0 h LEU 22 CO -0.17 0.57 0.51 0.78 0.09 0.00 0.00 178.44 180.22 2ob0 h ASN 23 N 0.13 0.71 1.26 -0.43 2.35 -0.79 -0.99 115.58 117.82 2ob0 h ASN 23 Ca 0.06 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2ob0 h ASN 23 Cb 0.39 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2ob0 h ASN 23 CO 0.01 0.45 -0.06 1.56 -1.65 0.00 0.00 177.43 177.74 2ob0 h GLN 24 N 0.81 0.00 0.13 0.81 1.08 -1.17 -1.58 115.11 115.20 2ob0 h GLN 24 Ca 0.35 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.20 2ob0 h GLN 24 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2ob0 h GLN 24 CO -0.12 0.06 -1.82 0.28 -0.95 0.00 0.00 178.83 176.28 2ob0 h VAL 25 N 0.00 0.82 0.15 -0.54 2.07 -1.32 -3.42 116.25 114.01 2ob0 h VAL 25 Ca -0.00 -2.50 -0.33 0.00 0.82 0.00 0.00 66.70 64.69 2ob0 h VAL 25 Cb 0.71 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2ob0 h VAL 25 CO 0.01 0.84 -1.66 0.40 0.02 0.00 0.00 177.57 177.17 2ob0 h ILE 26 N 0.08 1.02 -3.61 4.57 2.04 -1.09 -3.47 117.51 117.05 2ob0 h ILE 26 Ca -0.36 -2.64 -0.68 0.00 1.00 0.00 0.00 64.86 62.18 2ob0 h ILE 26 Cb 2.05 2.74 -0.18 0.00 -0.74 0.00 0.00 36.82 40.70 2ob0 h ILE 26 CO 0.13 0.83 -0.69 -0.36 0.00 0.00 0.00 178.15 178.06 2ob0 s PHE 27 N -2.60 2.93 -2.06 1.37 0.08 -0.60 -5.02 117.98 112.08 2ob0 s PHE 27 Ca -0.13 0.01 0.28 0.00 0.12 0.00 0.00 56.93 57.21 2ob0 s PHE 27 Cb 0.06 -1.66 1.61 0.00 -0.57 0.00 0.00 43.02 42.45 2ob0 s PHE 27 CO 0.85 0.36 2.04 -0.35 -0.10 0.00 0.00 175.22 178.03 2ob0 n PRO 28 N 1.86 1.10 -4.34 0.24 -0.04 -1.26 -4.74 135.00 127.82 2ob0 n PRO 28 Ca -0.17 -0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 62.86 2ob0 n PRO 28 Cb 0.53 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 2ob0 n PRO 28 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ob0 s VAL 29 N -1.99 2.77 -0.04 0.52 -7.23 -1.26 -4.97 120.40 108.19 2ob0 s VAL 29 Ca 0.42 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2ob0 s VAL 29 Cb 0.20 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2ob0 s VAL 29 CO 0.33 0.11 0.17 -0.44 -0.31 0.00 0.00 175.10 174.96 2ob0 s SER 30 N -2.09 6.34 -0.07 4.85 0.01 -1.26 -4.90 113.70 116.58 2ob0 s SER 30 Ca 0.17 0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.80 2ob0 s SER 30 Cb -0.10 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 2ob0 s SER 30 CO 0.09 0.30 -0.03 -0.31 0.41 0.00 0.00 173.24 173.70 2ob0 s TYR 31 N -1.24 3.04 0.82 2.43 2.02 -1.26 -5.12 117.35 118.04 2ob0 s TYR 31 Ca 0.24 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.93 2ob0 s TYR 31 Cb -0.12 -1.74 0.12 0.00 -0.40 0.00 0.00 41.96 39.81 2ob0 s TYR 31 CO 0.15 0.40 1.17 0.54 -1.57 0.00 0.00 175.55 176.23 2ob0 s ASN 32 N -0.90 4.12 0.43 2.29 2.20 -1.26 -4.92 114.94 116.91 2ob0 s ASN 32 Ca 0.13 0.42 0.09 0.00 -0.94 0.00 0.00 52.86 52.57 2ob0 s ASN 32 Cb -0.11 -0.80 0.95 0.00 -2.00 0.00 0.00 41.25 39.29 2ob0 s ASN 32 CO 0.02 -2.09 2.06 0.44 -2.94 0.00 0.00 177.10 174.60 2ob0 h ASP 33 N -1.08 0.33 -0.93 3.54 3.32 -2.00 -1.42 116.42 118.18 2ob0 h ASP 33 Ca -0.44 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.60 2ob0 h ASP 33 Cb 1.29 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 2ob0 h ASP 33 CO 0.53 0.27 0.60 0.50 -1.72 0.00 0.00 179.24 179.42 2ob0 h LYS 34 N 0.38 1.23 -0.45 3.56 3.64 -1.99 -1.11 116.57 121.84 2ob0 h LYS 34 Ca 0.10 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2ob0 h LYS 34 Cb 0.00 -0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 31.48 2ob0 h LYS 34 CO -0.02 0.83 0.03 0.35 -2.27 0.00 0.00 179.45 178.37 2ob0 h PHE 35 N 1.27 0.02 -0.03 1.91 3.57 -1.61 -0.85 116.94 121.23 2ob0 h PHE 35 Ca 0.34 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.69 2ob0 h PHE 35 Cb -0.13 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2ob0 h PHE 35 CO 0.00 -0.07 -0.77 1.88 -2.23 0.00 0.00 178.31 177.12 2ob0 h TYR 36 N 0.14 0.31 -0.38 0.41 0.05 -1.42 -2.04 116.97 114.04 2ob0 h TYR 36 Ca 0.23 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.86 2ob0 h TYR 36 Cb 0.32 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2ob0 h TYR 36 CO -0.27 0.91 0.24 -0.22 -1.05 0.00 0.00 178.16 177.77 2ob0 h LYS 37 N 0.14 0.48 -0.87 4.88 3.64 -1.02 -3.14 116.57 120.68 2ob0 h LYS 37 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2ob0 h LYS 37 Cb 1.35 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 2ob0 h LYS 37 CO 0.12 0.32 0.52 -0.44 -2.27 0.00 0.00 179.45 177.70 2ob0 h ASP 38 N 0.49 1.05 -0.93 4.20 3.32 -0.88 -2.67 116.42 121.00 2ob0 h ASP 38 Ca 0.14 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.25 2ob0 h ASP 38 Cb -0.03 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.18 2ob0 h ASP 38 CO -0.05 0.81 0.59 0.58 -1.72 0.00 0.00 179.24 179.45 2ob0 h VAL 39 N 1.21 0.90 0.00 -1.35 2.07 -1.33 0.25 116.25 118.00 2ob0 h VAL 39 Ca 0.31 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2ob0 h VAL 39 Cb -0.05 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2ob0 h VAL 39 CO -0.06 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.87 2ob0 n LEU 40 N -4.57 0.27 -0.53 2.57 4.77 -1.01 -3.10 117.00 115.40 2ob0 n LEU 40 Ca 0.17 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 2ob0 n LEU 40 Cb 0.39 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2ob0 n LEU 40 CO 0.29 -0.44 0.40 -0.62 -1.33 0.00 0.00 177.39 175.69 2ob0 n GLU 41 N -1.81 1.50 -0.20 3.23 -0.58 0.07 -4.52 120.64 118.33 2ob0 n GLU 41 Ca 0.02 -1.17 0.11 0.00 -0.42 0.00 0.00 57.16 55.70 2ob0 n GLU 41 Cb 0.16 -1.29 0.26 0.00 -0.57 0.00 0.00 31.44 30.00 2ob0 n GLU 41 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2ob0 n VAL 42 N 0.45 0.53 0.00 2.62 0.24 -1.18 -5.03 118.33 115.95 2ob0 n VAL 42 Ca 0.08 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2ob0 n VAL 42 Cb 0.38 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2ob0 n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ob0 n GLY 43 N 1.42 3.50 0.00 7.63 0.00 -1.26 -2.10 105.19 114.37 2ob0 n GLY 43 Ca 0.19 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.31 2ob0 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ob0 n GLU 44 N 14.00 0.35 0.00 1.61 -0.58 -1.26 -2.56 120.64 132.20 2ob0 n GLU 44 Ca 0.00 0.08 0.15 0.00 -0.42 0.00 0.00 57.16 56.97 2ob0 n GLU 44 Cb 0.00 -1.50 0.88 0.00 -0.57 0.00 0.00 31.44 30.25 2ob0 n GLU 44 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ob0 n LEU 45 N -1.17 0.00 -3.97 -4.62 4.77 -0.89 -4.65 117.00 106.47 2ob0 n LEU 45 Ca 0.10 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 2ob0 n LEU 45 Cb 0.10 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 2ob0 n LEU 45 CO 0.11 -0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 175.74 2ob0 s ALA 46 N -2.04 0.74 0.02 -1.18 0.00 -1.06 -1.15 121.76 117.09 2ob0 s ALA 46 Ca 0.44 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 2ob0 s ALA 46 Cb 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2ob0 s ALA 46 CO 0.36 0.10 0.21 0.15 0.00 0.00 0.00 175.76 176.58 2ob0 s LYS 47 N 0.30 0.65 0.01 0.00 -0.14 -0.12 -4.24 119.74 116.21 2ob0 s LYS 47 Ca -0.04 -0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 54.05 2ob0 s LYS 47 Cb -0.09 0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 2ob0 s LYS 47 CO 0.00 -0.18 0.20 -0.51 -0.76 0.00 0.00 175.35 174.10 2ob0 s LEU 48 N -1.79 4.37 -0.11 3.17 1.43 -0.01 -1.41 118.68 124.32 2ob0 s LEU 48 Ca -0.09 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2ob0 s LEU 48 Cb -0.03 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2ob0 s LEU 48 CO -0.01 0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 2ob0 s ALA 49 N -1.38 2.98 -0.04 4.21 0.00 0.62 -0.65 121.76 127.49 2ob0 s ALA 49 Ca 0.30 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.45 2ob0 s ALA 49 Cb -0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2ob0 s ALA 49 CO 0.21 0.42 -0.21 0.71 0.00 0.00 0.00 175.76 176.89 2ob0 s TYR 50 N -0.30 2.50 -0.20 0.00 2.02 0.46 -0.94 117.35 120.89 2ob0 s TYR 50 Ca 0.04 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2ob0 s TYR 50 Cb -0.13 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 2ob0 s TYR 50 CO 0.02 -0.02 -0.12 0.12 -1.57 0.00 0.00 175.55 173.98 2ob0 s PHE 51 N -0.49 2.88 -1.60 2.71 5.36 0.16 -1.67 117.98 125.34 2ob0 s PHE 51 Ca 0.06 -1.36 -0.12 0.00 -0.96 0.00 0.00 56.93 54.55 2ob0 s PHE 51 Cb -0.11 -2.01 0.10 0.00 -0.34 0.00 0.00 43.02 40.66 2ob0 s PHE 51 CO 0.01 -0.70 0.69 0.09 -1.46 0.00 0.00 175.22 173.85 2ob0 n ASN 52 N 4.69 -2.51 -0.59 6.13 3.02 0.77 -0.63 115.26 126.14 2ob0 n ASN 52 Ca -0.19 -0.99 -0.08 0.00 -0.03 0.00 0.00 54.58 53.29 2ob0 n ASN 52 Cb 0.50 -2.95 -0.03 0.00 -0.61 0.00 0.00 39.78 36.69 2ob0 n ASN 52 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ob0 n ASP 53 N -2.78 -4.50 -4.57 6.41 8.00 -1.26 -5.01 116.55 112.84 2ob0 n ASP 53 Ca -0.05 0.19 -0.34 0.00 0.71 0.00 0.00 54.79 55.30 2ob0 n ASP 53 Cb 0.56 -2.68 -0.11 0.00 -0.02 0.00 0.00 41.12 38.87 2ob0 n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ob0 s ILE 54 N -2.10 4.18 -0.22 0.53 1.01 0.19 -5.04 121.20 119.76 2ob0 s ILE 54 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 2ob0 s ILE 54 Cb 0.00 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 2ob0 s ILE 54 CO 0.00 0.51 1.58 0.00 0.00 0.00 0.00 174.94 177.03 2ob0 s ALA 55 N 0.07 3.30 0.00 9.38 0.00 -1.26 -0.66 121.76 132.59 2ob0 s ALA 55 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2ob0 s ALA 55 Cb -0.13 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2ob0 s ALA 55 CO 0.02 -1.89 0.26 1.33 0.00 0.00 0.00 175.76 175.48 2ob0 n VAL 56 N 6.33 0.00 -3.85 0.00 0.24 -0.11 -4.96 118.33 115.97 2ob0 n VAL 56 Ca 0.18 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.34 62.16 2ob0 n VAL 56 Cb 0.45 1.40 0.01 0.00 -1.47 0.00 0.00 33.84 34.23 2ob0 n VAL 56 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ob0 s GLY 57 N -0.04 0.10 0.07 7.63 0.00 -1.08 -0.81 107.32 113.18 2ob0 s GLY 57 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.13 2ob0 s GLY 57 CO 0.00 1.72 0.71 0.00 0.00 0.00 0.00 173.10 175.53 2ob0 s ALA 58 N -2.34 -1.70 -0.03 3.20 0.00 -0.63 -0.28 121.76 119.98 2ob0 s ALA 58 Ca 0.20 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.98 2ob0 s ALA 58 Cb -0.03 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.65 2ob0 s ALA 58 CO 0.06 -0.66 -0.03 0.54 0.00 0.00 0.00 175.76 175.67 2ob0 s VAL 59 N -3.06 0.34 -0.06 0.00 0.11 -0.50 -1.84 120.40 115.39 2ob0 s VAL 59 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2ob0 s VAL 59 Cb -0.01 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2ob0 s VAL 59 CO -0.08 0.15 -0.02 0.00 -3.33 0.00 0.00 175.10 171.82 2ob0 s ARG 62 N -3.92 0.84 -0.01 0.00 1.70 -0.06 -4.79 118.95 112.70 2ob0 s ARG 62 Ca 0.34 -0.86 -0.26 0.00 -0.47 0.00 0.00 55.73 54.48 2ob0 s ARG 62 Cb 0.07 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 2ob0 s ARG 62 CO 0.13 -0.27 0.80 0.08 -1.08 0.00 0.00 175.30 174.96 2ob0 s VAL 63 N -3.58 4.90 -0.10 4.99 1.01 -1.26 -0.74 120.40 125.61 2ob0 s VAL 63 Ca 0.03 1.69 0.04 0.00 0.00 0.00 0.00 61.98 63.73 2ob0 s VAL 63 Cb 0.03 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2ob0 s VAL 63 CO -0.10 0.26 -0.23 -0.62 0.00 0.00 0.00 175.10 174.41 2ob0 s ASP 64 N 0.61 2.97 -0.59 3.32 2.15 0.57 -4.94 116.67 120.76 2ob0 s ASP 64 Ca 0.42 -0.54 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 2ob0 s ASP 64 Cb -0.20 -1.36 0.15 0.00 -0.30 0.00 0.00 42.92 41.22 2ob0 s ASP 64 CO 0.23 0.14 0.42 -1.00 -0.17 0.00 0.00 175.17 174.79 2ob0 s HIS 65 N 0.40 3.47 0.12 -5.34 3.76 -1.26 0.02 115.29 116.45 2ob0 s HIS 65 Ca -0.18 -2.55 0.00 0.00 -0.15 0.00 0.00 55.06 52.18 2ob0 s HIS 65 Cb -0.18 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.20 2ob0 s HIS 65 CO 0.08 -0.89 0.00 -1.54 -0.85 0.00 0.00 174.74 171.55 2ob0 s SER 66 N 1.13 0.71 -1.54 1.40 1.04 -1.07 -4.83 113.70 110.54 2ob0 s SER 66 Ca 0.15 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2ob0 s SER 66 Cb -0.20 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2ob0 s SER 66 CO -0.04 -0.62 0.00 0.00 0.98 0.00 0.00 173.24 173.56 2ob0 n GLN 67 N -0.08 -1.83 -2.87 4.02 6.02 -1.26 -0.78 117.38 120.61 2ob0 n GLN 67 Ca -0.09 0.87 -0.19 0.00 -0.01 0.00 0.00 57.00 57.58 2ob0 n GLN 67 Cb 0.63 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.43 2ob0 n GLN 67 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2ob0 n ASN 68 N -1.78 -4.64 -4.37 1.08 5.03 -1.26 -4.98 115.26 104.34 2ob0 n ASN 68 Ca -0.20 -0.13 -0.19 0.00 0.87 0.00 0.00 54.58 54.93 2ob0 n ASN 68 Cb 0.64 -3.84 -0.10 0.00 -1.02 0.00 0.00 39.78 35.46 2ob0 n ASN 68 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ob0 s GLN 69 N -5.50 1.40 -0.27 3.52 -0.21 0.04 -5.12 119.66 113.52 2ob0 s GLN 69 Ca 0.20 -1.65 -0.10 0.00 0.02 0.00 0.00 55.36 53.83 2ob0 s GLN 69 Cb -0.10 -1.16 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 2ob0 s GLN 69 CO 0.25 0.15 0.15 0.21 -2.12 0.00 0.00 175.29 173.93 2ob0 s LYS 70 N -3.66 3.86 0.09 2.91 2.20 -1.26 -2.59 119.74 121.28 2ob0 s LYS 70 Ca 0.25 -0.37 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 2ob0 s LYS 70 Cb 0.00 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2ob0 s LYS 70 CO 0.08 -0.18 -0.15 1.03 -0.36 0.00 0.00 175.35 175.78 2ob0 s ARG 71 N 1.69 0.92 -0.28 4.03 0.52 0.10 -0.81 118.95 125.11 2ob0 s ARG 71 Ca 0.07 -1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 54.10 2ob0 s ARG 71 Cb -0.16 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 2ob0 s ARG 71 CO 0.08 0.19 0.18 -1.17 0.02 0.00 0.00 175.30 174.60 2ob0 s LEU 72 N -2.00 3.99 -0.24 2.53 2.96 -0.49 -0.32 118.68 125.10 2ob0 s LEU 72 Ca 0.03 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2ob0 s LEU 72 Cb -0.08 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2ob0 s LEU 72 CO 0.03 -0.07 0.18 -0.47 -1.32 0.00 0.00 176.35 174.70 2ob0 s TYR 73 N 1.73 3.30 0.46 5.38 5.04 0.08 -1.34 117.35 131.99 2ob0 s TYR 73 Ca 0.07 0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 2ob0 s TYR 73 Cb -0.16 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.81 2ob0 s TYR 73 CO 0.10 0.03 0.74 0.42 -1.34 0.00 0.00 175.55 175.49 2ob0 s ILE 74 N 1.18 4.94 0.32 3.14 1.01 -0.56 -0.89 121.20 130.35 2ob0 s ILE 74 Ca 0.08 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2ob0 s ILE 74 Cb -0.14 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 2ob0 s ILE 74 CO 0.06 -0.79 1.44 0.42 0.00 0.00 0.00 174.94 176.06 2ob0 s THR 76 N -2.66 2.40 -0.21 2.92 -4.23 -0.92 -4.62 115.64 108.31 2ob0 s THR 76 Ca 0.46 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 2ob0 s THR 76 Cb -0.10 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.60 2ob0 s THR 76 CO 0.43 0.08 0.42 -0.22 -0.54 0.00 0.00 174.62 174.79 2ob0 s LEU 77 N -1.37 -0.67 -0.07 4.79 0.20 -1.26 -0.63 118.68 119.67 2ob0 s LEU 77 Ca 0.55 0.85 -0.32 0.00 0.69 0.00 0.00 54.13 55.89 2ob0 s LEU 77 Cb -0.44 1.33 0.13 0.00 -0.43 0.00 0.00 46.19 46.79 2ob0 s LEU 77 CO 0.53 -0.25 1.31 -0.83 -0.29 0.00 0.00 176.35 176.83 2ob0 s GLY 78 N 2.61 -0.40 0.16 7.98 0.00 -0.77 -5.02 107.32 111.88 2ob0 s GLY 78 Ca 0.02 0.96 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 2ob0 s GLY 78 CO -0.14 0.22 0.08 0.00 0.00 0.00 0.00 173.10 173.26 2ob0 s LEU 80 N -3.09 4.34 0.25 0.00 1.43 0.01 -4.88 118.68 116.73 2ob0 s LEU 80 Ca 0.29 2.98 -0.05 0.00 -1.03 0.00 0.00 54.13 56.32 2ob0 s LEU 80 Cb 0.07 -3.66 0.48 0.00 0.03 0.00 0.00 46.19 43.11 2ob0 s LEU 80 CO 0.05 -0.83 1.67 0.00 0.23 0.00 0.00 176.35 177.47 2ob0 h ALA 81 N 3.38 0.94 0.00 4.21 0.00 -1.97 -1.15 119.26 124.68 2ob0 h ALA 81 Ca -0.50 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ob0 h ALA 81 Cb 1.23 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2ob0 h ALA 81 CO 0.67 -0.37 0.00 -0.35 0.00 0.00 0.00 179.25 179.19 2ob0 n PRO 82 N -5.21 0.02 -0.25 0.00 -0.04 -1.26 -2.41 135.00 125.85 2ob0 n PRO 82 Ca 0.15 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2ob0 n PRO 82 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 2ob0 n PRO 82 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ob0 n TYR 83 N -1.47 0.63 -1.85 0.54 4.01 -0.44 -5.01 117.16 113.56 2ob0 n TYR 83 Ca 0.03 -0.54 -0.31 0.00 -0.16 0.00 0.00 57.90 56.92 2ob0 n TYR 83 Cb 0.11 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 2ob0 n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2ob0 s ARG 84 N -1.18 3.37 -1.54 -0.72 0.52 -1.01 -3.71 118.95 114.67 2ob0 s ARG 84 Ca 0.30 0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 56.36 2ob0 s ARG 84 Cb 0.17 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.60 2ob0 s ARG 84 CO 0.18 -0.75 0.69 0.54 0.02 0.00 0.00 175.30 175.98 2ob0 n ARG 85 N -2.64 -5.32 0.00 3.54 5.12 -1.26 -4.89 116.66 111.21 2ob0 n ARG 85 Ca 0.07 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 2ob0 n ARG 85 Cb 0.54 -5.80 0.00 0.00 -1.16 0.00 0.00 32.46 26.04 2ob0 n ARG 85 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2ob0 n LEU 86 N -4.17 1.49 0.00 0.55 4.77 -1.24 -5.00 117.00 113.40 2ob0 n LEU 86 Ca -0.10 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 2ob0 n LEU 86 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2ob0 n LEU 86 CO 0.50 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2ob0 n GLY 87 N -0.27 0.81 0.11 -0.72 0.00 -1.26 -4.98 105.19 98.88 2ob0 n GLY 87 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ob0 n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ob0 h ILE 88 N 0.00 1.37 -0.47 -0.61 2.04 -1.95 -1.91 117.51 115.99 2ob0 h ILE 88 Ca 0.00 -1.33 0.09 0.00 1.00 0.00 0.00 64.86 64.63 2ob0 h ILE 88 Cb 0.00 2.02 -0.09 0.00 -0.74 0.00 0.00 36.82 38.01 2ob0 h ILE 88 CO 0.00 0.38 -0.11 1.23 0.00 0.00 0.00 178.15 179.65 2ob0 h GLY 89 N -0.16 0.35 0.58 5.37 0.00 -1.93 -2.00 103.07 105.27 2ob0 h GLY 89 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.58 2ob0 h GLY 89 CO 0.03 -0.18 0.52 -0.84 0.00 0.00 0.00 176.54 176.08 2ob0 h THR 90 N 0.01 0.96 0.00 4.70 2.02 -1.96 0.13 112.91 118.76 2ob0 h THR 90 Ca 0.23 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2ob0 h THR 90 Cb 0.34 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ob0 h THR 90 CO -0.48 0.16 0.00 1.17 0.37 0.00 0.00 175.52 176.74 2ob0 n LYS 91 N -4.68 0.29 0.00 6.66 3.00 -0.73 -0.76 118.16 121.94 2ob0 n LYS 91 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2ob0 n LYS 91 Cb 0.26 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.12 2ob0 n LYS 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ob0 n LEU 93 N 0.41 0.00 0.03 3.14 7.94 0.45 -2.15 117.00 126.82 2ob0 n LEU 93 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2ob0 n LEU 93 Cb 0.08 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.43 2ob0 n LEU 93 CO 0.00 0.00 1.07 0.78 -1.11 0.00 0.00 177.39 178.13 2ob0 h ASN 94 N 0.00 0.43 -0.28 1.96 2.35 -1.17 -0.27 115.58 118.59 2ob0 h ASN 94 Ca 0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2ob0 h ASN 94 Cb 0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2ob0 h ASN 94 CO 0.00 0.38 0.17 -0.74 -1.65 0.00 0.00 177.43 175.59 2ob0 h HIS 95 N 0.48 0.37 -0.30 1.19 -0.00 -1.67 -0.50 115.15 114.72 2ob0 h HIS 95 Ca 0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.31 2ob0 h HIS 95 Cb 0.08 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2ob0 h HIS 95 CO 0.00 0.27 -0.52 -0.39 -0.00 0.00 0.00 177.93 177.29 2ob0 h VAL 96 N 0.36 1.27 -0.64 5.26 -1.51 -1.62 -2.38 116.25 116.99 2ob0 h VAL 96 Ca 0.10 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.84 2ob0 h VAL 96 Cb 0.01 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 2ob0 h VAL 96 CO -0.02 0.56 0.30 -0.07 -1.23 0.00 0.00 177.57 177.11 2ob0 h LEU 97 N 0.68 0.82 -0.86 4.19 3.38 -1.04 -2.09 115.31 120.39 2ob0 h LEU 97 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2ob0 h LEU 97 Cb 1.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2ob0 h LEU 97 CO 0.12 0.71 -0.26 0.78 0.09 0.00 0.00 178.44 179.88 2ob0 h ASN 98 N 0.91 0.56 -0.38 -0.43 2.35 -0.99 -0.23 115.58 117.37 2ob0 h ASN 98 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2ob0 h ASN 98 Cb 0.11 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2ob0 h ASN 98 CO -0.03 0.80 0.24 0.40 -1.65 0.00 0.00 177.43 177.19 2ob0 h ILE 99 N 0.48 1.11 -0.40 2.81 2.04 -0.98 -1.54 117.51 121.03 2ob0 h ILE 99 Ca 0.07 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2ob0 h ILE 99 Cb 0.70 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2ob0 h ILE 99 CO 0.05 0.11 0.11 0.00 0.00 0.00 0.00 178.15 178.42 2ob0 h GLU 101 N 0.51 0.95 0.00 0.00 4.22 -0.99 0.94 114.58 120.21 2ob0 h GLU 101 Ca 0.13 -0.12 -0.12 0.00 0.08 0.00 0.00 59.36 59.33 2ob0 h GLU 101 Cb 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2ob0 h GLU 101 CO -0.00 0.72 -0.58 0.87 -2.18 0.00 0.00 179.01 177.83 2ob0 h LYS 102 N 0.93 0.00 -0.09 1.92 1.57 -1.21 -3.11 116.57 116.57 2ob0 h LYS 102 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2ob0 h LYS 102 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ob0 h LYS 102 CO -0.04 0.58 -0.15 0.22 -0.57 0.00 0.00 179.45 179.50 2ob0 h ASP 103 N 0.00 0.28 0.00 0.86 3.58 -1.02 -3.48 116.42 116.65 2ob0 h ASP 103 Ca -0.01 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2ob0 h ASP 103 Cb 1.05 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2ob0 h ASP 103 CO 0.08 0.77 0.00 0.61 -2.88 0.00 0.00 179.24 177.81 2ob0 n GLY 104 N 0.38 0.99 0.68 -0.78 0.00 0.30 -4.85 105.19 101.91 2ob0 n GLY 104 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2ob0 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ob0 n THR 105 N -2.00 0.00 -2.72 2.61 -2.24 -1.26 -4.98 114.28 103.70 2ob0 n THR 105 Ca 0.00 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 2ob0 n THR 105 Cb 0.00 1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 2ob0 n THR 105 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2ob0 s PHE 106 N -1.75 3.83 0.02 4.78 0.08 -1.26 -4.73 117.98 118.94 2ob0 s PHE 106 Ca 0.21 1.81 -0.17 0.00 0.12 0.00 0.00 56.93 58.89 2ob0 s PHE 106 Cb 0.16 -3.06 -0.32 0.00 -0.57 0.00 0.00 43.02 39.23 2ob0 s PHE 106 CO 0.30 0.19 1.02 -0.44 -0.10 0.00 0.00 175.22 176.19 2ob0 h ASP 107 N 5.29 0.78 -5.05 1.36 3.32 -1.34 -3.42 116.42 117.35 2ob0 h ASP 107 Ca -0.43 -0.88 0.08 0.00 0.02 0.00 0.00 57.03 55.82 2ob0 h ASP 107 Cb 1.21 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.44 2ob0 h ASP 107 CO 0.71 1.59 0.29 0.54 -1.72 0.00 0.00 179.24 180.66 2ob0 s ASN 108 N -7.37 -0.30 -0.00 6.45 2.20 -1.25 -1.42 114.94 113.25 2ob0 s ASN 108 Ca -0.10 -0.44 0.06 0.00 -0.94 0.00 0.00 52.86 51.43 2ob0 s ASN 108 Cb 0.04 0.64 -0.02 0.00 -2.00 0.00 0.00 41.25 39.91 2ob0 s ASN 108 CO 0.91 -1.16 -0.17 -0.51 -2.94 0.00 0.00 177.10 173.23 2ob0 s ILE 109 N -3.72 1.38 0.18 0.54 2.07 -0.34 -1.40 121.20 119.91 2ob0 s ILE 109 Ca 0.09 -0.81 -0.15 0.00 -1.41 0.00 0.00 60.65 58.37 2ob0 s ILE 109 Cb -0.04 -1.16 0.02 0.00 0.13 0.00 0.00 42.46 41.41 2ob0 s ILE 109 CO 0.02 0.33 0.45 -0.72 -1.91 0.00 0.00 174.94 173.11 2ob0 s TYR 110 N -0.49 0.01 0.29 3.50 -0.85 -0.45 0.08 117.35 119.45 2ob0 s TYR 110 Ca 0.06 -0.36 -0.18 0.00 -0.52 0.00 0.00 57.07 56.08 2ob0 s TYR 110 Cb -0.07 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.55 2ob0 s TYR 110 CO -0.00 -0.84 0.67 -0.48 -1.52 0.00 0.00 175.55 173.37 2ob0 s LEU 111 N -2.89 -0.03 -0.08 -3.49 2.34 -0.60 -1.50 118.68 112.43 2ob0 s LEU 111 Ca 0.11 -0.81 -0.01 0.00 0.06 0.00 0.00 54.13 53.47 2ob0 s LEU 111 Cb 0.00 2.49 -0.03 0.00 -0.56 0.00 0.00 46.19 48.09 2ob0 s LEU 111 CO -0.03 -1.36 -0.00 -1.00 -1.06 0.00 0.00 176.35 172.90 2ob0 s HIS 112 N -3.63 3.15 -0.08 3.48 3.76 -1.26 -1.10 115.29 119.61 2ob0 s HIS 112 Ca 0.15 0.18 -0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2ob0 s HIS 112 Cb -0.04 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.89 2ob0 s HIS 112 CO 0.09 0.46 -0.05 0.08 -0.85 0.00 0.00 174.74 174.47 2ob0 s VAL 113 N -0.90 0.76 0.27 -0.90 1.01 -0.20 -4.96 120.40 115.48 2ob0 s VAL 113 Ca 0.14 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2ob0 s VAL 113 Cb -0.11 -0.81 -0.13 0.00 0.00 0.00 0.00 36.38 35.33 2ob0 s VAL 113 CO 0.03 0.31 1.33 1.67 0.00 0.00 0.00 175.10 178.44 2ob0 n GLN 114 N 4.68 1.96 0.31 2.72 7.27 -1.26 -0.15 117.38 132.91 2ob0 n GLN 114 Ca -0.15 0.69 0.18 0.00 0.07 0.00 0.00 57.00 57.80 2ob0 n GLN 114 Cb 0.50 -2.30 1.02 0.00 2.41 0.00 0.00 30.24 31.88 2ob0 n GLN 114 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 2ob0 h ILE 115 N 2.82 0.30 0.00 1.69 3.07 -1.69 -0.34 117.51 123.35 2ob0 h ILE 115 Ca -0.45 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 65.90 2ob0 h ILE 115 Cb 1.29 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 2ob0 h ILE 115 CO 0.71 0.01 0.00 -1.54 -1.05 0.00 0.00 178.15 176.28 2ob0 n SER 116 N -3.49 0.01 -4.23 2.16 3.41 -1.26 -4.63 113.62 105.59 2ob0 n SER 116 Ca -0.03 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 2ob0 n SER 116 Cb 0.10 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2ob0 n SER 116 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ob0 n ASN 117 N -1.51 4.83 -0.17 4.04 2.85 -0.14 -4.79 115.26 120.37 2ob0 n ASN 117 Ca 0.06 -2.96 -0.03 0.00 -0.11 0.00 0.00 54.58 51.55 2ob0 n ASN 117 Cb 0.31 -1.63 0.18 0.00 1.24 0.00 0.00 39.78 39.89 2ob0 n ASN 117 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2ob0 h GLU 118 N 6.76 0.91 -0.16 1.20 5.08 -1.86 -2.21 114.58 124.30 2ob0 h GLU 118 Ca 0.43 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2ob0 h GLU 118 Cb 0.78 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2ob0 h GLU 118 CO 1.52 0.76 -0.41 0.66 -1.00 0.00 0.00 179.01 180.54 2ob0 h SER 119 N 0.89 0.38 -0.05 1.42 4.64 -1.99 -1.17 113.55 117.67 2ob0 h SER 119 Ca 0.21 -0.16 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2ob0 h SER 119 Cb 0.21 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ob0 h SER 119 CO -0.02 0.75 -0.55 0.00 -0.87 0.00 0.00 176.83 176.15 2ob0 h ALA 120 N 1.27 0.65 -0.15 5.18 0.00 -1.90 -1.21 119.26 123.09 2ob0 h ALA 120 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2ob0 h ALA 120 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ob0 h ALA 120 CO 0.07 0.69 0.05 0.82 0.00 0.00 0.00 179.25 180.87 2ob0 h ILE 121 N 0.49 1.18 -0.62 0.00 2.04 -1.09 -1.26 117.51 118.24 2ob0 h ILE 121 Ca 0.01 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2ob0 h ILE 121 Cb 1.10 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2ob0 h ILE 121 CO 0.11 0.17 0.33 0.44 0.00 0.00 0.00 178.15 179.19 2ob0 h ASP 122 N 0.07 0.47 0.24 1.72 3.32 -1.12 -1.14 116.42 119.97 2ob0 h ASP 122 Ca 0.05 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2ob0 h ASP 122 Cb 0.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2ob0 h ASP 122 CO -0.00 0.30 -0.11 0.15 -1.72 0.00 0.00 179.24 177.86 2ob0 h PHE 123 N 0.60 -0.29 -0.31 4.55 3.57 -0.94 -2.16 116.94 121.96 2ob0 h PHE 123 Ca 0.28 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 2ob0 h PHE 123 Cb 0.20 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2ob0 h PHE 123 CO -0.09 -0.10 -0.35 1.88 -2.23 0.00 0.00 178.31 177.41 2ob0 h TYR 124 N -0.42 0.83 0.00 0.41 0.05 -1.09 -2.49 116.97 114.26 2ob0 h TYR 124 Ca -0.03 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.49 2ob0 h TYR 124 Cb 0.32 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2ob0 h TYR 124 CO -0.03 0.96 -0.13 0.00 -1.05 0.00 0.00 178.16 177.91 2ob0 h ARG 125 N 0.59 0.00 -0.33 4.88 3.08 -1.17 -1.32 114.38 120.11 2ob0 h ARG 125 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2ob0 h ARG 125 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 2ob0 h ARG 125 CO 0.08 0.13 0.18 -0.22 -1.07 0.00 0.00 179.97 179.07 2ob0 h LYS 126 N 0.00 0.44 -0.49 0.04 3.64 -0.91 -2.31 116.57 116.98 2ob0 h LYS 126 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ob0 h LYS 126 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2ob0 h LYS 126 CO 0.02 0.33 0.00 1.19 -2.27 0.00 0.00 179.45 178.72 2ob0 n PHE 127 N -4.45 0.68 -0.56 1.91 3.72 -0.56 -4.90 117.46 113.31 2ob0 n PHE 127 Ca 0.02 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2ob0 n PHE 127 Cb 0.10 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2ob0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ob0 n GLY 128 N 1.15 0.70 3.78 1.37 0.00 -0.87 -5.05 105.19 106.28 2ob0 n GLY 128 Ca 0.16 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2ob0 n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ob0 s PHE 129 N -2.00 3.15 0.03 1.61 0.08 -0.83 -4.63 117.98 115.39 2ob0 s PHE 129 Ca 0.00 1.61 0.08 0.00 0.12 0.00 0.00 56.93 58.74 2ob0 s PHE 129 Cb 0.00 -3.15 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2ob0 s PHE 129 CO 0.00 -0.79 -0.22 -1.21 -0.10 0.00 0.00 175.22 172.90 2ob0 s GLU 130 N -2.69 1.57 -0.36 0.44 2.02 0.01 -4.18 118.70 115.51 2ob0 s GLU 130 Ca 0.61 -0.95 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 2ob0 s GLU 130 Cb -0.22 -1.66 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2ob0 s GLU 130 CO 0.27 0.43 1.48 0.42 0.02 0.00 0.00 175.26 177.88 2ob0 s ILE 131 N -0.74 3.85 -0.58 -1.63 1.01 -1.26 -0.74 121.20 121.10 2ob0 s ILE 131 Ca 0.09 0.89 0.18 0.00 0.00 0.00 0.00 60.65 61.81 2ob0 s ILE 131 Cb -0.09 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 2ob0 s ILE 131 CO 0.01 -0.61 0.65 2.30 0.00 0.00 0.00 174.94 177.29 2ob0 n ILE 132 N 6.94 0.00 -3.52 2.92 -5.35 -0.22 -5.00 119.36 115.13 2ob0 n ILE 132 Ca 0.18 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.35 2ob0 n ILE 132 Cb 0.47 0.70 -0.04 0.00 -1.74 0.00 0.00 39.64 39.03 2ob0 n ILE 132 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2ob0 s GLU 133 N -2.89 0.85 -0.20 6.28 2.12 -1.25 -5.01 118.70 118.61 2ob0 s GLU 133 Ca 0.02 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2ob0 s GLU 133 Cb 0.13 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2ob0 s GLU 133 CO 0.75 -0.32 -0.17 0.99 -0.54 0.00 0.00 175.26 175.97 2ob0 s THR 134 N -2.14 2.02 -0.31 -1.70 2.01 -1.26 -0.97 115.64 113.28 2ob0 s THR 134 Ca -0.01 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 2ob0 s THR 134 Cb -0.01 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2ob0 s THR 134 CO -0.02 0.37 0.60 -0.54 -0.69 0.00 0.00 174.62 174.34 2ob0 s LYS 135 N 1.27 3.85 0.41 4.92 1.02 0.10 -4.94 119.74 126.37 2ob0 s LYS 135 Ca 0.01 0.20 -0.23 0.00 0.02 0.00 0.00 55.97 55.97 2ob0 s LYS 135 Cb -0.15 -3.74 -0.09 0.00 -0.52 0.00 0.00 37.83 33.33 2ob0 s LYS 135 CO -0.11 -0.58 1.01 0.15 -0.92 0.00 0.00 175.35 174.90 2ob0 s LYS 136 N 2.56 4.19 -1.48 1.68 1.02 -1.26 -1.12 119.74 125.32 2ob0 s LYS 136 Ca 0.24 1.37 -0.13 0.00 0.02 0.00 0.00 55.97 57.47 2ob0 s LYS 136 Cb -0.15 -2.43 0.09 0.00 -0.52 0.00 0.00 37.83 34.82 2ob0 s LYS 136 CO 0.12 -0.10 0.75 0.09 -0.92 0.00 0.00 175.35 175.30 2ob0 n ASN 137 N -0.25 -4.27 -0.04 2.83 3.02 -1.24 -4.89 115.26 110.41 2ob0 n ASN 137 Ca 0.06 -0.65 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 2ob0 n ASN 137 Cb 0.51 -3.46 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 2ob0 n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2ob0 h TYR 138 N -1.54 0.25 -3.38 3.10 3.20 -1.21 -3.44 116.97 113.95 2ob0 h TYR 138 Ca -0.53 -0.03 -0.55 0.00 3.14 0.00 0.00 58.73 60.77 2ob0 h TYR 138 Cb 1.35 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 2ob0 h TYR 138 CO 0.62 0.39 -0.08 0.71 -1.64 0.00 0.00 178.16 178.16 2ob0 s TYR 139 N -5.28 3.55 -0.10 -3.82 2.02 -0.32 -5.00 117.35 108.40 2ob0 s TYR 139 Ca -0.14 1.03 0.15 0.00 -0.37 0.00 0.00 57.07 57.75 2ob0 s TYR 139 Cb 0.06 -2.36 -0.23 0.00 -0.40 0.00 0.00 41.96 39.03 2ob0 s TYR 139 CO 0.70 0.37 0.49 1.63 -1.57 0.00 0.00 175.55 177.18 2ob0 n LYS 140 N 0.51 0.65 0.00 -0.62 4.76 -1.26 -4.68 118.16 117.52 2ob0 n LYS 140 Ca -0.03 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2ob0 n LYS 140 Cb 0.52 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2ob0 n LYS 140 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ob0 n ARG 141 N -2.91 3.10 -4.07 1.97 5.12 -1.26 -5.07 116.66 113.53 2ob0 n ARG 141 Ca -0.21 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.48 2ob0 n ARG 141 Cb 1.05 -0.66 -0.04 0.00 -1.16 0.00 0.00 32.46 31.65 2ob0 n ARG 141 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2ob0 s ILE 142 N -1.17 4.67 -0.02 0.55 -4.36 -1.26 -5.10 121.20 114.50 2ob0 s ILE 142 Ca 0.00 -1.16 0.06 0.00 -0.26 0.00 0.00 60.65 59.29 2ob0 s ILE 142 Cb 0.00 -3.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.23 2ob0 s ILE 142 CO 0.00 -0.24 -0.21 -1.61 0.24 0.00 0.00 174.94 173.12 2ob0 s GLU 143 N -3.55 1.72 0.50 0.37 0.41 -1.26 -3.41 118.70 113.49 2ob0 s GLU 143 Ca 0.33 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.92 2ob0 s GLU 143 Cb -0.09 -1.65 -0.06 0.00 -1.78 0.00 0.00 34.13 30.55 2ob0 s GLU 143 CO 0.25 0.44 1.27 -1.25 -0.49 0.00 0.00 175.26 175.48 2ob0 s PRO 144 N -0.45 3.45 0.39 0.39 0.04 -1.26 -5.07 135.00 132.50 2ob0 s PRO 144 Ca 0.07 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.41 2ob0 s PRO 144 Cb -0.08 -2.34 0.93 0.00 0.04 0.00 0.00 34.50 33.04 2ob0 s PRO 144 CO -0.01 -0.87 1.79 0.00 0.04 0.00 0.00 177.00 177.96 2ob0 h ALA 145 N 1.77 1.00 -2.33 8.56 0.00 -1.86 -3.45 119.26 122.95 2ob0 h ALA 145 Ca -0.50 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.92 2ob0 h ALA 145 Cb 1.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2ob0 h ALA 145 CO 0.59 0.00 0.15 -0.51 0.00 0.00 0.00 179.25 179.48 2ob0 s ASP 146 N -5.26 6.90 -0.01 0.00 1.01 -1.26 -1.09 116.67 116.96 2ob0 s ASP 146 Ca 0.05 1.41 0.03 0.00 0.71 0.00 0.00 52.55 54.75 2ob0 s ASP 146 Cb 0.09 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2ob0 s ASP 146 CO 0.55 -0.16 -0.10 0.00 0.21 0.00 0.00 175.17 175.66 2ob0 s ALA 147 N -1.88 0.86 0.33 5.23 0.00 -0.27 -1.92 121.76 124.10 2ob0 s ALA 147 Ca 0.52 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 2ob0 s ALA 147 Cb -0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 2ob0 s ALA 147 CO 0.18 0.20 0.95 -1.01 0.00 0.00 0.00 175.76 176.09 2ob0 s HIS 148 N -0.20 3.66 -0.27 0.00 3.76 0.79 0.02 115.29 123.04 2ob0 s HIS 148 Ca 0.03 1.77 -0.15 0.00 -0.15 0.00 0.00 55.06 56.56 2ob0 s HIS 148 Cb -0.04 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 2ob0 s HIS 148 CO -0.00 0.14 0.38 0.08 -0.85 0.00 0.00 174.74 174.48 2ob0 s VAL 149 N -1.62 5.17 -0.16 -0.90 1.01 -0.14 -1.03 120.40 122.72 2ob0 s VAL 149 Ca 0.51 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 2ob0 s VAL 149 Cb -0.19 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2ob0 s VAL 149 CO 0.24 0.15 0.04 -0.76 0.00 0.00 0.00 175.10 174.77 2ob0 s LEU 150 N 2.08 3.73 -0.01 3.92 1.02 -0.26 -1.05 118.68 128.10 2ob0 s LEU 150 Ca 0.15 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.39 2ob0 s LEU 150 Cb -0.16 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.14 2ob0 s LEU 150 CO 0.10 0.21 -0.03 -1.58 0.02 0.00 0.00 176.35 175.07 2ob0 s GLN 151 N 0.14 0.33 -0.16 1.70 0.74 0.08 -1.56 119.66 120.92 2ob0 s GLN 151 Ca 0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.35 2ob0 s GLN 151 Cb -0.12 -0.37 -0.02 0.00 1.10 0.00 0.00 33.01 33.60 2ob0 s GLN 151 CO 0.01 0.02 -0.08 0.21 -0.55 0.00 0.00 175.29 174.89 2ob0 s LYS 152 N 0.25 3.46 0.09 1.67 2.20 0.11 -0.81 119.74 126.71 2ob0 s LYS 152 Ca -0.02 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 2ob0 s LYS 152 Cb -0.05 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 2ob0 s LYS 152 CO -0.01 0.10 0.95 -0.80 -0.36 0.00 0.00 175.35 175.24 2ob0 s ASN 153 N 0.67 7.46 0.00 1.43 -0.87 -1.26 -1.20 114.94 121.17 2ob0 s ASN 153 Ca -0.04 1.75 0.06 0.00 -1.57 0.00 0.00 52.86 53.06 2ob0 s ASN 153 Cb -0.15 -2.58 0.05 0.00 -0.02 0.00 0.00 41.25 38.55 2ob0 s ASN 153 CO 0.02 -0.09 0.69 0.18 -2.57 0.00 0.00 177.10 175.33