#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ooj s THR 4 N 0.00 0.70 -0.14 6.31 2.01 0.28 -4.78 115.64 120.02 2ooj s THR 4 Ca 0.00 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 2ooj s THR 4 Cb 0.00 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.95 2ooj s THR 4 CO 0.00 0.18 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.50 2ooj s LYS 5 N -0.26 1.56 0.18 4.92 1.02 -1.26 -0.45 119.74 125.45 2ooj s LYS 5 Ca 0.03 -0.39 0.08 0.00 0.02 0.00 0.00 55.97 55.71 2ooj s LYS 5 Cb -0.04 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2ooj s LYS 5 CO -0.00 -0.33 -0.17 0.14 -0.92 0.00 0.00 175.35 174.06 2ooj s VAL 6 N 1.66 1.82 0.15 3.17 -7.23 -0.60 -4.98 120.40 114.39 2ooj s VAL 6 Ca 0.03 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 2ooj s VAL 6 Cb -0.14 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2ooj s VAL 6 CO -0.08 -0.39 -0.12 0.42 -0.31 0.00 0.00 175.10 174.62 2ooj s THR 7 N -2.29 1.32 0.00 5.32 -4.23 -1.26 -0.59 115.64 113.90 2ooj s THR 7 Ca 0.18 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2ooj s THR 7 Cb -0.04 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2ooj s THR 7 CO 0.07 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 2ooj n GLY 8 N 0.03 0.98 3.90 3.99 0.00 -0.45 -4.63 105.19 109.02 2ooj n GLY 8 Ca -0.12 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2ooj n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ooj s LYS 9 N -1.89 3.37 0.05 1.61 1.02 -1.24 -0.77 119.74 121.88 2ooj s LYS 9 Ca 0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 2ooj s LYS 9 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2ooj s LYS 9 CO 0.00 0.59 -0.03 -0.59 -0.92 0.00 0.00 175.35 174.40 2ooj s PHE 10 N -1.53 0.56 -0.00 3.18 -0.12 -0.59 -1.01 117.98 118.46 2ooj s PHE 10 Ca 0.34 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 56.23 2ooj s PHE 10 Cb -0.13 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 2ooj s PHE 10 CO 0.27 -0.35 -0.13 -0.51 -0.05 0.00 0.00 175.22 174.46 2ooj s ASP 11 N -2.90 4.18 -0.01 1.98 1.01 -0.06 -4.00 116.67 116.87 2ooj s ASP 11 Ca 0.07 -0.24 0.02 0.00 0.71 0.00 0.00 52.55 53.11 2ooj s ASP 11 Cb 0.07 -0.86 -0.01 0.00 1.01 0.00 0.00 42.92 43.13 2ooj s ASP 11 CO -0.09 0.30 -0.08 0.54 0.21 0.00 0.00 175.17 176.05 2ooj s VAL 12 N -0.88 0.62 -0.11 -1.27 0.11 -1.26 -1.00 120.40 116.60 2ooj s VAL 12 Ca 0.14 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2ooj s VAL 12 Cb -0.11 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2ooj s VAL 12 CO 0.04 0.18 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.07 2ooj s LYS 13 N -0.18 2.41 0.05 1.54 2.20 0.43 -5.01 119.74 121.19 2ooj s LYS 13 Ca 0.03 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 2ooj s LYS 13 Cb -0.03 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2ooj s LYS 13 CO -0.00 -0.04 0.25 -0.51 -0.36 0.00 0.00 175.35 174.68 2ooj s LEU 14 N 0.92 4.35 -0.07 5.43 1.43 -1.26 -1.44 118.68 128.03 2ooj s LEU 14 Ca -0.07 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2ooj s LEU 14 Cb -0.15 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.19 2ooj s LEU 14 CO -0.01 0.18 -0.11 -0.89 0.23 0.00 0.00 176.35 175.75 2ooj s THR 15 N -1.46 1.10 0.46 5.49 2.01 -0.33 -4.96 115.64 117.95 2ooj s THR 15 Ca 0.33 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 2ooj s THR 15 Cb -0.13 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 2ooj s THR 15 CO 0.23 0.35 1.29 -2.16 -0.69 0.00 0.00 174.62 173.64 2ooj s PRO 16 N 0.81 3.68 0.30 4.92 0.04 -1.26 -1.05 135.00 142.44 2ooj s PRO 16 Ca -0.12 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2ooj s PRO 16 Cb -0.15 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 2ooj s PRO 16 CO 0.02 -0.71 0.08 -1.21 0.04 0.00 0.00 177.00 175.21 2ooj s GLU 17 N -2.54 1.57 -0.13 4.56 2.02 -0.21 -4.80 118.70 119.17 2ooj s GLU 17 Ca 0.63 -1.87 -0.23 0.00 0.02 0.00 0.00 54.97 53.52 2ooj s GLU 17 Cb -0.37 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.22 2ooj s GLU 17 CO 0.46 -0.25 0.69 1.21 0.02 0.00 0.00 175.26 177.39 2ooj s ASN 18 N -3.42 6.87 0.28 -0.19 2.47 -1.26 -4.25 114.94 115.43 2ooj s ASN 18 Ca 0.37 1.05 -0.24 0.00 0.42 0.00 0.00 52.86 54.46 2ooj s ASN 18 Cb 0.08 -2.39 -0.09 0.00 -1.45 0.00 0.00 41.25 37.40 2ooj s ASN 18 CO 0.15 -0.22 0.87 0.00 -3.72 0.00 0.00 177.10 174.18 2ooj s ALA 19 N 1.41 3.28 0.06 1.71 0.00 -1.26 -4.83 121.76 122.13 2ooj s ALA 19 Ca 0.34 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 2ooj s ALA 19 Cb -0.17 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 2ooj s ALA 19 CO 0.14 0.23 1.44 -0.92 0.00 0.00 0.00 175.76 176.65 2ooj h TYR 20 N 3.29 0.46 -2.32 0.00 3.20 -1.96 -3.45 116.97 116.19 2ooj h TYR 20 Ca -0.47 -0.11 -0.45 0.00 3.14 0.00 0.00 58.73 60.84 2ooj h TYR 20 Cb 1.19 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 39.37 2ooj h TYR 20 CO 0.62 0.68 -0.20 0.00 -1.64 0.00 0.00 178.16 177.62 2ooj s ALA 21 N -4.66 3.98 -0.06 1.82 0.00 -1.26 -5.11 121.76 116.46 2ooj s ALA 21 Ca -0.14 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.62 2ooj s ALA 21 Cb 0.06 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2ooj s ALA 21 CO 0.75 -0.25 -0.22 0.99 0.00 0.00 0.00 175.76 177.04 2ooj s THR 22 N -2.40 2.35 0.39 0.00 2.01 -1.26 -4.87 115.64 111.86 2ooj s THR 22 Ca 0.47 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 2ooj s THR 22 Cb -0.10 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 2ooj s THR 22 CO 0.35 0.57 1.14 -0.83 -0.69 0.00 0.00 174.62 175.15 2ooj s GLY 23 N -0.22 2.85 0.23 4.40 0.00 -1.26 -4.98 107.32 108.34 2ooj s GLY 23 Ca -0.01 0.90 0.04 0.00 0.00 0.00 0.00 44.72 45.65 2ooj s GLY 23 CO 0.03 1.40 -0.03 -1.34 0.00 0.00 0.00 173.10 173.16 2ooj s VAL 24 N -1.46 1.15 -1.48 1.40 -7.23 -1.23 -4.75 120.40 106.80 2ooj s VAL 24 Ca 0.57 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2ooj s VAL 24 Cb -0.29 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2ooj s VAL 24 CO 0.36 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2ooj n GLY 25 N -0.41 -0.30 0.44 2.32 0.00 -1.26 -2.19 105.19 103.79 2ooj n GLY 25 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ooj n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ooj n GLY 26 N -1.01 0.49 3.75 -0.02 0.00 -1.26 -4.77 105.19 102.36 2ooj n GLY 26 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2ooj n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ooj s VAL 27 N -2.20 4.07 -0.14 1.61 1.01 -0.93 -3.36 120.40 120.45 2ooj s VAL 27 Ca 0.00 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.01 2ooj s VAL 27 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2ooj s VAL 27 CO 0.00 0.45 -0.19 0.21 0.00 0.00 0.00 175.10 175.57 2ooj s ASN 28 N -0.93 2.94 0.07 3.32 3.84 -1.26 -3.56 114.94 119.36 2ooj s ASN 28 Ca 0.43 -0.57 0.01 0.00 0.21 0.00 0.00 52.86 52.93 2ooj s ASN 28 Cb -0.26 -1.35 -0.04 0.00 -0.55 0.00 0.00 41.25 39.04 2ooj s ASN 28 CO 0.33 0.03 0.21 -0.76 -2.79 0.00 0.00 177.10 174.12 2ooj s LEU 29 N 1.05 4.32 0.04 3.21 1.43 -1.26 -4.27 118.68 123.19 2ooj s LEU 29 Ca -0.02 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2ooj s LEU 29 Cb -0.14 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2ooj s LEU 29 CO -0.06 0.15 -0.01 -0.83 0.23 0.00 0.00 176.35 175.84 2ooj s GLY 30 N -2.61 0.32 0.29 -3.19 0.00 -0.61 -4.87 107.32 96.65 2ooj s GLY 30 Ca 0.35 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2ooj s GLY 30 CO 0.28 -0.93 0.12 -1.60 0.00 0.00 0.00 173.10 170.96 2ooj s ARG 31 N -2.68 1.54 -0.01 2.90 3.52 -1.26 -1.49 118.95 121.47 2ooj s ARG 31 Ca -0.05 -1.86 0.07 0.00 -0.13 0.00 0.00 55.73 53.76 2ooj s ARG 31 Cb -0.01 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.06 2ooj s ARG 31 CO -0.05 -0.35 -0.22 0.00 -0.81 0.00 0.00 175.30 173.87 2ooj s ALA 33 N -3.62 1.80 -0.09 6.12 0.00 -0.21 -1.04 121.76 124.72 2ooj s ALA 33 Ca 0.36 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2ooj s ALA 33 Cb 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2ooj s ALA 33 CO 0.15 0.44 -0.20 -0.51 0.00 0.00 0.00 175.76 175.64 2ooj s LEU 34 N -0.55 2.35 -0.08 0.00 1.43 0.22 -1.18 118.68 120.86 2ooj s LEU 34 Ca 0.08 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2ooj s LEU 34 Cb -0.08 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2ooj s LEU 34 CO -0.01 0.20 -0.06 -1.81 0.23 0.00 0.00 176.35 174.90 2ooj s ASP 35 N 0.12 1.71 0.09 2.29 1.01 -0.52 -1.35 116.67 120.02 2ooj s ASP 35 Ca -0.10 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 52.98 2ooj s ASP 35 Cb -0.16 -0.67 -0.03 0.00 1.01 0.00 0.00 42.92 43.07 2ooj s ASP 35 CO 0.06 -0.09 -0.10 -0.54 0.21 0.00 0.00 175.17 174.71 2ooj s LYS 36 N 1.37 0.83 -0.10 8.23 1.02 -0.35 -0.42 119.74 130.31 2ooj s LYS 36 Ca -0.03 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 54.85 2ooj s LYS 36 Cb -0.14 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 2ooj s LYS 36 CO -0.03 0.09 -0.11 0.99 -0.92 0.00 0.00 175.35 175.36 2ooj s THR 37 N -2.29 1.23 -0.14 2.17 2.01 -0.17 -0.67 115.64 117.79 2ooj s THR 37 Ca 0.04 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2ooj s THR 37 Cb -0.04 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2ooj s THR 37 CO 0.00 0.39 0.16 -0.36 -0.69 0.00 0.00 174.62 174.13 2ooj s PHE 38 N 1.25 3.55 0.15 4.92 0.40 0.18 -0.88 117.98 127.55 2ooj s PHE 38 Ca -0.03 0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.89 2ooj s PHE 38 Cb -0.14 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 2ooj s PHE 38 CO -0.04 0.59 -0.10 0.71 0.70 0.00 0.00 175.22 177.08 2ooj s TYR 39 N -0.58 2.67 0.00 0.36 2.02 -0.18 -1.54 117.35 120.10 2ooj s TYR 39 Ca 0.14 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 2ooj s TYR 39 Cb -0.12 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 2ooj s TYR 39 CO 0.03 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 2ooj n GLY 40 N 0.31 0.92 0.23 0.71 0.00 -1.26 -3.66 105.19 102.44 2ooj n GLY 40 Ca -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 2ooj n GLY 40 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ooj h GLU 41 N 0.00 0.48 -4.79 1.61 4.39 -1.93 -3.30 114.58 111.04 2ooj h GLU 41 Ca 0.00 -0.20 -0.70 0.00 0.34 0.00 0.00 59.36 58.80 2ooj h GLU 41 Cb 0.00 -0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 28.44 2ooj h GLU 41 CO 0.00 0.74 -0.21 -1.17 -1.16 0.00 0.00 179.01 177.21 2ooj s LEU 42 N -8.56 4.97 -0.37 1.33 2.96 -1.26 -0.44 118.68 117.30 2ooj s LEU 42 Ca -0.07 -0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 53.06 2ooj s LEU 42 Cb 0.13 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.57 2ooj s LEU 42 CO 0.80 -0.61 0.13 -0.70 -1.32 0.00 0.00 176.35 174.65 2ooj s GLU 43 N 2.10 1.86 0.20 1.98 2.12 0.19 -2.96 118.70 124.19 2ooj s GLU 43 Ca 0.11 -1.78 -0.22 0.00 0.36 0.00 0.00 54.97 53.44 2ooj s GLU 43 Cb -0.18 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.86 2ooj s GLU 43 CO 0.12 -0.98 0.63 0.00 -0.54 0.00 0.00 175.26 174.50 2ooj s ALA 44 N 1.07 -1.45 0.06 6.30 0.00 -0.59 -1.27 121.76 125.88 2ooj s ALA 44 Ca 0.08 0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.35 2ooj s ALA 44 Cb -0.21 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2ooj s ALA 44 CO -0.05 -0.85 -0.26 1.03 0.00 0.00 0.00 175.76 175.63 2ooj s ARG 45 N -3.81 1.75 0.05 0.00 1.81 -0.43 0.52 118.95 118.84 2ooj s ARG 45 Ca 0.04 -1.14 0.02 0.00 -1.72 0.00 0.00 55.73 52.93 2ooj s ARG 45 Cb -0.02 -1.98 -0.03 0.00 -0.45 0.00 0.00 34.95 32.47 2ooj s ARG 45 CO -0.07 0.50 -0.08 -1.54 -0.68 0.00 0.00 175.30 173.44 2ooj s SER 46 N -1.39 0.96 0.03 0.23 1.04 0.16 -0.83 113.70 113.90 2ooj s SER 46 Ca 0.12 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.98 2ooj s SER 46 Cb -0.10 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2ooj s SER 46 CO 0.03 -0.22 -0.10 -1.10 0.98 0.00 0.00 173.24 172.83 2ooj s GLN 47 N -1.84 0.67 0.00 4.02 -0.21 -0.77 -1.21 119.66 120.33 2ooj s GLN 47 Ca -0.07 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.71 2ooj s GLN 47 Cb -0.08 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.33 2ooj s GLN 47 CO 0.00 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 2ooj n GLY 48 N 2.05 1.45 0.00 3.09 0.00 -0.46 -0.20 105.19 111.12 2ooj n GLY 48 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2ooj n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ooj n GLU 49 N 0.00 0.13 -3.62 1.61 1.02 -0.69 -0.61 120.64 118.48 2ooj n GLU 49 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2ooj n GLU 49 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2ooj n GLU 49 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ooj s LEU 51 N 0.00 -0.08 0.02 -4.62 1.43 0.89 -1.92 118.68 114.41 2ooj s LEU 51 Ca 0.00 0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2ooj s LEU 51 Cb 0.00 2.03 -0.02 0.00 0.03 0.00 0.00 46.19 48.23 2ooj s LEU 51 CO 0.00 -0.52 -0.03 -0.94 0.23 0.00 0.00 176.35 175.09 2ooj s SER 52 N -1.12 0.26 0.26 2.29 1.04 -0.56 -0.38 113.70 115.49 2ooj s SER 52 Ca -0.11 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2ooj s SER 52 Cb -0.02 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2ooj s SER 52 CO 0.07 -0.33 0.20 0.00 0.98 0.00 0.00 173.24 174.16 2ooj s ALA 53 N -1.70 1.44 0.35 5.32 0.00 0.15 -1.58 121.76 125.74 2ooj s ALA 53 Ca -0.14 -1.85 -0.15 0.00 0.00 0.00 0.00 51.96 49.82 2ooj s ALA 53 Cb -0.08 1.42 0.04 0.00 0.00 0.00 0.00 23.12 24.50 2ooj s ALA 53 CO -0.02 -0.63 0.73 0.95 0.00 0.00 0.00 175.76 176.79 2ooj s THR 55 N -3.84 0.00 -1.99 0.00 -4.23 -1.02 -0.17 115.64 104.39 2ooj s THR 55 Ca 0.39 -1.08 0.31 0.00 -1.18 0.00 0.00 61.69 60.13 2ooj s THR 55 Cb 0.05 -2.64 0.81 0.00 1.34 0.00 0.00 72.50 72.06 2ooj s THR 55 CO 0.19 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.41 2ooj n ALA 56 N -0.51 2.66 -2.79 3.99 0.00 -1.21 -4.76 120.51 117.88 2ooj n ALA 56 Ca -0.06 -0.23 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 2ooj n ALA 56 Cb 0.60 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 2ooj n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ooj s VAL 57 N -2.07 4.83 0.31 0.00 1.01 -1.26 -5.05 120.40 118.16 2ooj s VAL 57 Ca 0.44 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2ooj s VAL 57 Cb 0.22 -3.11 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 2ooj s VAL 57 CO 0.38 0.55 1.45 -1.59 0.00 0.00 0.00 175.10 175.89 2ooj s LYS 58 N -0.41 4.22 -0.20 2.72 0.00 -1.26 -2.49 119.74 122.32 2ooj s LYS 58 Ca 0.09 2.41 0.00 0.00 0.00 0.00 0.00 55.97 58.47 2ooj s LYS 58 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 37.83 34.67 2ooj s LYS 58 CO 0.02 -0.44 0.00 0.41 0.00 0.00 0.00 175.35 175.34 2ooj n GLY 59 N 1.38 0.46 3.22 0.59 0.00 -1.26 -4.32 105.19 105.26 2ooj n GLY 59 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2ooj n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ooj s SER 60 N -2.20 4.10 0.11 1.61 0.01 -1.04 -1.52 113.70 114.77 2ooj s SER 60 Ca 0.00 -0.69 -0.25 0.00 1.31 0.00 0.00 55.95 56.32 2ooj s SER 60 Cb 0.00 -1.65 0.07 0.00 0.21 0.00 0.00 66.02 64.65 2ooj s SER 60 CO 0.00 -0.07 0.79 0.00 0.41 0.00 0.00 173.24 174.36 2ooj s ALA 61 N 1.37 -1.64 0.05 1.44 0.00 -1.26 -2.45 121.76 119.27 2ooj s ALA 61 Ca 0.03 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2ooj s ALA 61 Cb -0.15 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2ooj s ALA 61 CO -0.06 -0.83 -0.12 0.20 0.00 0.00 0.00 175.76 174.96 2ooj s GLY 62 N -2.71 0.71 0.03 0.00 0.00 0.76 -4.45 107.32 101.67 2ooj s GLY 62 Ca 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.95 2ooj s GLY 62 CO -0.06 -0.87 -0.07 -0.19 0.00 0.00 0.00 173.10 171.91 2ooj s TYR 63 N -1.15 0.57 0.06 1.90 1.51 -0.55 -0.67 117.35 119.02 2ooj s TYR 63 Ca -0.03 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2ooj s TYR 63 Cb -0.09 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2ooj s TYR 63 CO 0.01 -0.09 -0.04 0.14 -1.11 0.00 0.00 175.55 174.46 2ooj s VAL 64 N -1.23 0.35 0.12 0.71 -7.23 0.48 -1.01 120.40 112.60 2ooj s VAL 64 Ca -0.09 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 2ooj s VAL 64 Cb -0.09 -1.38 0.06 0.00 0.56 0.00 0.00 36.38 35.53 2ooj s VAL 64 CO 0.00 -0.88 0.55 0.00 -0.31 0.00 0.00 175.10 174.46 2ooj s ALA 65 N -3.45 -1.44 -0.03 1.32 0.00 -0.90 -0.08 121.76 117.19 2ooj s ALA 65 Ca 0.05 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.49 2ooj s ALA 65 Cb 0.04 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.88 2ooj s ALA 65 CO -0.07 -0.67 -0.05 0.42 0.00 0.00 0.00 175.76 175.39 2ooj s ILE 66 N -3.35 0.52 -0.01 0.00 1.01 -0.81 -1.07 121.20 117.49 2ooj s ILE 66 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2ooj s ILE 66 Cb -0.00 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 2ooj s ILE 66 CO -0.09 0.20 -0.05 -1.83 0.00 0.00 0.00 174.94 173.18 2ooj s GLU 67 N 0.67 0.39 -0.27 2.79 -1.05 -0.38 -1.70 118.70 119.15 2ooj s GLU 67 Ca -0.09 -0.16 -0.14 0.00 -0.15 0.00 0.00 54.97 54.43 2ooj s GLU 67 Cb -0.12 -0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 2ooj s GLU 67 CO 0.00 0.09 0.35 -1.14 0.95 0.00 0.00 175.26 175.51 2ooj s GLN 68 N -0.05 4.01 -0.15 -4.83 2.00 0.72 -1.04 119.66 120.31 2ooj s GLN 68 Ca 0.01 0.00 -0.06 0.00 -2.00 0.00 0.00 55.36 53.31 2ooj s GLN 68 Cb -0.02 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 2ooj s GLN 68 CO -0.00 -0.26 0.06 0.08 -0.50 0.00 0.00 175.29 174.67 2ooj s VAL 69 N 2.01 4.84 -0.09 1.34 1.01 0.05 -1.84 120.40 127.71 2ooj s VAL 69 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2ooj s VAL 69 Cb -0.16 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2ooj s VAL 69 CO 0.10 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.99 2ooj s VAL 70 N -0.16 0.70 -0.19 2.92 1.01 -0.01 -1.84 120.40 122.84 2ooj s VAL 70 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2ooj s VAL 70 Cb -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2ooj s VAL 70 CO 0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2ooj n GLY 71 N 4.98 -0.77 3.22 4.51 0.00 -0.68 -1.31 105.19 115.14 2ooj n GLY 71 Ca -0.11 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2ooj n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ooj s LYS 72 N -1.05 2.09 -0.19 1.61 3.01 -0.39 -0.49 119.74 124.32 2ooj s LYS 72 Ca 0.00 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.20 2ooj s LYS 72 Cb 0.00 -1.84 0.03 0.00 -1.01 0.00 0.00 37.83 35.01 2ooj s LYS 72 CO 0.00 0.36 -0.18 -1.17 0.51 0.00 0.00 175.35 174.88 2ooj s LEU 73 N -0.19 2.35 -1.54 3.17 2.96 -0.33 -0.64 118.68 124.45 2ooj s LEU 73 Ca -0.00 -0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 2ooj s LEU 73 Cb -0.12 -1.46 0.08 0.00 0.50 0.00 0.00 46.19 45.20 2ooj s LEU 73 CO 0.02 -0.04 0.76 0.00 -1.32 0.00 0.00 176.35 175.77 2ooj n GLY 75 N -1.65 2.13 3.67 0.00 0.00 -1.26 -5.02 105.19 103.07 2ooj n GLY 75 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2ooj n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ooj s ARG 76 N -0.32 4.19 -0.20 1.61 0.52 -0.41 -5.01 118.95 119.33 2ooj s ARG 76 Ca 0.00 0.28 -0.18 0.00 -0.52 0.00 0.00 55.73 55.31 2ooj s ARG 76 Cb 0.00 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 2ooj s ARG 76 CO 0.00 -0.05 0.50 -1.14 0.02 0.00 0.00 175.30 174.63 2ooj s GLN 77 N 1.34 4.18 0.00 3.54 2.00 -1.26 -1.19 119.66 128.27 2ooj s GLN 77 Ca 0.21 0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.94 2ooj s GLN 77 Cb -0.15 -3.56 0.00 0.00 0.80 0.00 0.00 33.01 30.10 2ooj s GLN 77 CO 0.09 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 2ooj n GLY 78 N 3.93 1.54 3.30 2.59 0.00 0.35 -0.99 105.19 115.90 2ooj n GLY 78 Ca -0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 2ooj n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ooj s SER 79 N 2.00 -0.18 0.17 1.61 1.04 -1.14 -1.68 113.70 115.51 2ooj s SER 79 Ca 0.00 -0.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.91 2ooj s SER 79 Cb 0.00 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2ooj s SER 79 CO 0.00 -0.77 0.73 0.72 0.98 0.00 0.00 173.24 174.89 2ooj s PHE 80 N -3.39 -0.35 -0.11 5.02 -0.71 -0.77 -0.86 117.98 116.81 2ooj s PHE 80 Ca 0.01 0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.95 2ooj s PHE 80 Cb 0.01 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 2ooj s PHE 80 CO -0.09 -0.93 -0.09 0.08 -1.34 0.00 0.00 175.22 172.86 2ooj s VAL 81 N -3.65 3.49 -0.15 -2.49 1.01 -1.26 -0.77 120.40 116.58 2ooj s VAL 81 Ca 0.06 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2ooj s VAL 81 Cb -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2ooj s VAL 81 CO -0.04 0.54 0.03 -0.76 0.00 0.00 0.00 175.10 174.87 2ooj s LEU 82 N -0.09 3.65 -0.10 3.92 1.43 -0.21 -0.91 118.68 126.37 2ooj s LEU 82 Ca -0.00 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2ooj s LEU 82 Cb -0.13 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ooj s LEU 82 CO 0.03 0.24 -0.19 -1.58 0.23 0.00 0.00 176.35 175.08 2ooj s GLN 83 N -0.05 3.10 -0.04 1.70 0.74 0.47 -1.25 119.66 124.33 2ooj s GLN 83 Ca 0.05 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.70 2ooj s GLN 83 Cb -0.12 -2.42 -0.02 0.00 1.10 0.00 0.00 33.01 31.55 2ooj s GLN 83 CO 0.02 0.24 -0.17 -1.01 -0.55 0.00 0.00 175.29 173.81 2ooj s HIS 84 N 0.24 2.60 -0.07 1.67 3.76 -0.23 -0.97 115.29 122.30 2ooj s HIS 84 Ca -0.13 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2ooj s HIS 84 Cb -0.16 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 31.97 2ooj s HIS 84 CO 0.07 0.12 0.12 0.12 -0.85 0.00 0.00 174.74 174.32 2ooj s PHE 85 N -0.67 -0.09 -0.02 1.40 2.19 -0.20 -2.11 117.98 118.48 2ooj s PHE 85 Ca 0.10 0.46 0.03 0.00 0.33 0.00 0.00 56.93 57.86 2ooj s PHE 85 Cb -0.11 -0.31 -0.00 0.00 -1.31 0.00 0.00 43.02 41.29 2ooj s PHE 85 CO 0.00 -0.23 -0.09 0.20 1.83 0.00 0.00 175.22 176.93 2ooj s GLY 86 N 2.08 0.51 0.24 13.12 0.00 -0.18 -0.72 107.32 122.37 2ooj s GLY 86 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.41 2ooj s GLY 86 CO -0.05 -0.17 0.10 1.39 0.00 0.00 0.00 173.10 174.37 2ooj n ILE 87 N 3.14 0.00 0.00 0.90 2.08 -0.18 -1.48 119.36 123.83 2ooj n ILE 87 Ca -0.17 -1.42 0.00 0.00 0.56 0.00 0.00 62.75 61.72 2ooj n ILE 87 Cb 0.55 0.54 0.00 0.00 -0.75 0.00 0.00 39.64 39.98 2ooj n ILE 87 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2ooj n THR 89 N -0.52 0.00 0.00 1.39 -1.04 -1.16 -0.40 114.28 112.55 2ooj n THR 89 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2ooj n THR 89 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2ooj n THR 89 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2ooj n ASP 90 N 0.00 0.00 -3.61 8.00 5.68 -0.58 -4.96 116.55 121.08 2ooj n ASP 90 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 2ooj n ASP 90 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 2ooj n ASP 90 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2ooj s ASN 93 N 0.00 -0.71 -0.10 -1.12 0.01 -1.26 -4.92 114.94 106.84 2ooj s ASN 93 Ca 0.00 1.09 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 2ooj s ASN 93 Cb 0.00 1.44 0.02 0.00 0.41 0.00 0.00 41.25 43.12 2ooj s ASN 93 CO 0.00 -0.17 -0.10 -0.13 -1.51 0.00 0.00 177.10 175.20 2ooj s ARG 94 N 1.74 1.64 -0.06 -0.60 0.52 0.47 -5.00 118.95 117.67 2ooj s ARG 94 Ca -0.08 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 2ooj s ARG 94 Cb -0.05 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.90 2ooj s ARG 94 CO -0.17 -0.16 -0.00 -1.17 0.02 0.00 0.00 175.30 173.82 2ooj s LEU 95 N 1.30 0.81 -0.20 2.53 2.96 -1.26 -1.01 118.68 123.81 2ooj s LEU 95 Ca -0.02 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2ooj s LEU 95 Cb -0.14 -0.37 0.02 0.00 0.50 0.00 0.00 46.19 46.19 2ooj s LEU 95 CO -0.04 -0.15 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.42 2ooj s HIS 96 N 1.60 2.89 -0.18 5.38 5.65 0.10 -5.00 115.29 125.72 2ooj s HIS 96 Ca -0.01 -1.49 0.00 0.00 0.25 0.00 0.00 55.06 53.81 2ooj s HIS 96 Cb -0.13 -1.99 0.04 0.00 -1.18 0.00 0.00 32.58 29.33 2ooj s HIS 96 CO -0.03 -0.74 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.07 2ooj s LEU 97 N 1.33 1.87 -0.01 8.88 2.96 -1.26 -1.03 118.68 131.43 2ooj s LEU 97 Ca 0.04 -0.74 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2ooj s LEU 97 Cb -0.14 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 2ooj s LEU 97 CO -0.09 -0.17 -0.10 -0.70 -1.32 0.00 0.00 176.35 173.98 2ooj s GLU 98 N 1.54 0.79 -0.03 1.98 2.12 -0.14 -4.31 118.70 120.65 2ooj s GLU 98 Ca 0.00 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 2ooj s GLU 98 Cb -0.16 -0.77 -0.05 0.00 0.26 0.00 0.00 34.13 33.42 2ooj s GLU 98 CO -0.08 0.21 1.44 0.08 -0.54 0.00 0.00 175.26 176.37 2ooj s VAL 99 N -0.27 3.74 0.07 3.70 1.01 -0.17 -0.40 120.40 128.08 2ooj s VAL 99 Ca 0.03 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.76 2ooj s VAL 99 Cb -0.04 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2ooj s VAL 99 CO -0.00 -0.03 1.63 -0.69 0.00 0.00 0.00 175.10 176.00 2ooj s VAL 100 N 2.88 3.05 0.16 2.92 1.01 -0.08 -4.64 120.40 125.69 2ooj s VAL 100 Ca 0.65 0.52 -0.34 0.00 0.00 0.00 0.00 61.98 62.81 2ooj s VAL 100 Cb -0.31 -3.34 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 2ooj s VAL 100 CO 0.26 0.00 1.41 -2.65 0.00 0.00 0.00 175.10 174.12 2ooj n PRO 101 N 5.44 1.70 -1.32 2.72 -0.02 -1.26 -1.38 135.00 140.89 2ooj n PRO 101 Ca 0.15 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 62.14 2ooj n PRO 101 Cb 0.41 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 2ooj n PRO 101 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ooj n HIS 102 N 2.54 0.00 0.55 6.00 8.25 -1.26 -4.85 115.22 126.44 2ooj n HIS 102 Ca 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 2ooj n HIS 102 Cb 0.26 -2.56 0.35 0.00 1.12 0.00 0.00 29.99 29.17 2ooj n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ooj h SER 103 N 0.00 0.00 -3.53 0.41 4.64 -1.55 -3.46 113.55 110.07 2ooj h SER 103 Ca -0.22 -0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.57 2ooj h SER 103 Cb 1.06 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.20 2ooj h SER 103 CO 0.33 0.00 0.68 -0.83 -0.87 0.00 0.00 176.83 176.14 2ooj s GLY 104 N -3.70 2.57 0.20 -0.77 0.00 -1.26 -4.16 107.32 100.21 2ooj s GLY 104 Ca 0.10 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2ooj s GLY 104 CO 0.61 2.08 0.09 0.00 0.00 0.00 0.00 173.10 175.88 2ooj s ALA 105 N -0.30 1.31 0.00 3.20 0.00 -0.04 -4.11 121.76 121.82 2ooj s ALA 105 Ca 0.55 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2ooj s ALA 105 Cb -0.39 1.08 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2ooj s ALA 105 CO 0.44 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2ooj n GLY 106 N -0.29 0.99 0.00 0.00 0.00 -1.26 -1.37 105.19 103.26 2ooj n GLY 106 Ca -0.01 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.36 2ooj n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ooj n GLU 107 N 12.49 0.91 -0.31 1.61 1.02 -0.16 -2.79 120.64 133.41 2ooj n GLU 107 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2ooj n GLU 107 Cb 0.00 -1.46 0.28 0.00 -0.02 0.00 0.00 31.44 30.24 2ooj n GLU 107 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ooj n LEU 108 N -0.96 3.71 -4.61 -4.62 4.77 -0.47 -4.80 117.00 110.02 2ooj n LEU 108 Ca 0.20 -1.90 -0.48 0.00 -0.03 0.00 0.00 56.01 53.80 2ooj n LEU 108 Cb 0.09 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2ooj n LEU 108 CO 0.15 0.90 0.86 0.41 -1.33 0.00 0.00 177.39 178.39 2ooj n THR 109 N 1.45 0.67 -0.30 -5.08 -1.04 -1.12 -1.59 114.28 107.27 2ooj n THR 109 Ca 0.22 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2ooj n THR 109 Cb 0.59 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 2ooj n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ooj n GLY 110 N 2.26 0.93 3.77 3.41 0.00 -1.26 -4.83 105.19 109.47 2ooj n GLY 110 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ooj n GLY 110 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ooj s LEU 111 N 0.00 4.34 0.01 0.99 2.96 -0.62 -0.73 118.68 125.63 2ooj s LEU 111 Ca 0.00 2.95 0.01 0.00 -0.22 0.00 0.00 54.13 56.86 2ooj s LEU 111 Cb 0.00 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 2ooj s LEU 111 CO 0.00 -0.83 -0.03 -0.47 -1.32 0.00 0.00 176.35 173.69 2ooj s TYR 112 N -0.68 0.31 0.00 5.38 6.14 -0.34 -4.58 117.35 123.57 2ooj s TYR 112 Ca 0.56 -0.21 0.00 0.00 0.64 0.00 0.00 57.07 58.06 2ooj s TYR 112 Cb -0.46 -0.20 0.00 0.00 0.42 0.00 0.00 41.96 41.73 2ooj s TYR 112 CO 0.56 -0.05 0.00 0.41 0.64 0.00 0.00 175.55 177.10 2ooj n GLY 113 N 2.50 -0.40 0.00 8.97 0.00 -1.26 -1.35 105.19 113.64 2ooj n GLY 113 Ca -0.16 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2ooj n GLY 113 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ooj n THR 114 N -0.91 0.00 -3.52 2.61 -2.24 -0.53 -1.00 114.28 108.69 2ooj n THR 114 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2ooj n THR 114 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2ooj n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ooj s ALA 116 N -2.00 -1.79 0.09 6.98 0.00 0.36 -1.06 121.76 124.34 2ooj s ALA 116 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 2ooj s ALA 116 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2ooj s ALA 116 CO 0.00 -0.73 0.02 0.96 0.00 0.00 0.00 175.76 176.01 2ooj s ILE 117 N -3.19 0.16 0.25 0.00 -4.36 -1.26 -0.65 121.20 112.15 2ooj s ILE 117 Ca 0.05 -1.83 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 2ooj s ILE 117 Cb -0.01 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.96 2ooj s ILE 117 CO -0.08 -0.74 0.66 -0.94 0.24 0.00 0.00 174.94 174.08 2ooj s SER 118 N -2.98 -0.28 -0.07 4.36 1.04 -0.66 -5.00 113.70 110.12 2ooj s SER 118 Ca 0.15 -0.56 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 2ooj s SER 118 Cb 0.08 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.90 2ooj s SER 118 CO -0.05 -1.25 -0.03 -0.63 0.98 0.00 0.00 173.24 172.26 2ooj s ILE 119 N -3.91 0.56 -0.20 -1.02 1.01 -1.26 -1.08 121.20 115.31 2ooj s ILE 119 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2ooj s ILE 119 Cb -0.04 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 41.84 2ooj s ILE 119 CO 0.04 0.26 -0.08 -1.61 0.00 0.00 0.00 174.94 173.55 2ooj s GLU 120 N 1.45 1.84 -1.26 2.79 2.02 0.35 -4.82 118.70 121.08 2ooj s GLU 120 Ca -0.02 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.13 2ooj s GLU 120 Cb -0.13 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 2ooj s GLU 120 CO -0.03 -0.45 0.71 0.27 0.02 0.00 0.00 175.26 175.77 2ooj n ASN 121 N 4.73 -2.46 0.00 -0.19 0.23 -1.26 -0.73 115.26 115.57 2ooj n ASN 121 Ca -0.14 -0.87 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 2ooj n ASN 121 Cb 0.46 -3.90 0.00 0.00 -2.08 0.00 0.00 39.78 34.26 2ooj n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ooj n GLY 122 N -1.61 1.75 3.68 4.83 0.00 -1.26 -4.98 105.19 107.59 2ooj n GLY 122 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2ooj n GLY 122 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ooj s GLN 123 N -0.04 4.19 0.16 1.61 2.00 0.09 -5.06 119.66 122.60 2ooj s GLN 123 Ca 0.00 0.16 -0.28 0.00 -2.00 0.00 0.00 55.36 53.23 2ooj s GLN 123 Cb 0.00 -3.52 -0.07 0.00 0.80 0.00 0.00 33.01 30.22 2ooj s GLN 123 CO 0.00 0.02 0.89 -1.01 -0.50 0.00 0.00 175.29 174.69 2ooj s HIS 124 N 1.13 3.88 0.06 1.67 3.76 -1.26 -0.49 115.29 124.04 2ooj s HIS 124 Ca 0.18 1.76 0.07 0.00 -0.15 0.00 0.00 55.06 56.92 2ooj s HIS 124 Cb -0.14 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 2ooj s HIS 124 CO 0.07 0.37 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.08 2ooj s PHE 125 N -0.66 1.66 0.10 1.40 0.08 -0.24 -1.54 117.98 118.78 2ooj s PHE 125 Ca 0.41 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 57.16 2ooj s PHE 125 Cb -0.24 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 2ooj s PHE 125 CO 0.29 0.10 -0.15 1.52 -0.10 0.00 0.00 175.22 176.89 2ooj s TYR 126 N -0.90 2.63 -0.06 0.36 -0.85 0.05 -1.65 117.35 116.93 2ooj s TYR 126 Ca 0.06 -0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.43 2ooj s TYR 126 Cb -0.09 -1.40 -0.02 0.00 0.38 0.00 0.00 41.96 40.83 2ooj s TYR 126 CO 0.02 0.39 -0.17 -2.00 -1.52 0.00 0.00 175.55 172.27 2ooj s GLU 127 N -2.07 2.55 -0.13 -3.49 -6.30 0.17 -1.34 118.70 108.09 2ooj s GLU 127 Ca 0.19 -0.76 -0.01 0.00 -2.50 0.00 0.00 54.97 51.90 2ooj s GLU 127 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 34.13 31.72 2ooj s GLU 127 CO 0.11 0.54 -0.06 0.12 0.02 0.00 0.00 175.26 175.98 2ooj s PHE 128 N -0.52 1.51 -0.31 5.30 5.36 0.24 -0.48 117.98 129.08 2ooj s PHE 128 Ca 0.07 -0.84 -0.09 0.00 -0.96 0.00 0.00 56.93 55.11 2ooj s PHE 128 Cb -0.11 -1.24 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 2ooj s PHE 128 CO 0.01 -0.55 0.14 -1.12 -1.46 0.00 0.00 175.22 172.24 2ooj s SER 129 N 1.70 5.44 0.14 6.13 0.01 -0.23 -1.55 113.70 125.34 2ooj s SER 129 Ca 0.03 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.56 2ooj s SER 129 Cb -0.14 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 2ooj s SER 129 CO -0.08 -0.22 0.24 0.72 0.41 0.00 0.00 173.24 174.31 2ooj s PHE 130 N 1.57 0.34 0.39 2.43 -0.12 0.40 -1.45 117.98 121.54 2ooj s PHE 130 Ca 0.04 -0.73 -0.13 0.00 -0.05 0.00 0.00 56.93 56.06 2ooj s PHE 130 Cb -0.17 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.18 2ooj s PHE 130 CO 0.05 -0.64 0.74 0.00 -0.05 0.00 0.00 175.22 175.32 2ooj s PHE 132 N -2.34 2.18 0.08 0.00 0.08 -1.26 -1.20 117.98 115.52 2ooj s PHE 132 Ca 0.18 -0.86 -0.31 0.00 0.12 0.00 0.00 56.93 56.07 2ooj s PHE 132 Cb -0.04 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.85 2ooj s PHE 132 CO 0.13 -0.36 1.42 -1.83 -0.10 0.00 0.00 175.22 174.49 2ooj s GLU 133 N 0.41 4.30 0.00 0.44 -1.05 0.09 -4.98 118.70 117.91 2ooj s GLU 133 Ca -0.17 2.08 0.28 0.00 -0.15 0.00 0.00 54.97 57.02 2ooj s GLU 133 Cb -0.17 -3.36 1.69 0.00 -0.44 0.00 0.00 34.13 31.85 2ooj s GLU 133 CO 0.07 -0.51 2.03 -0.35 0.95 0.00 0.00 175.26 177.45