#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 1.03 -0.18 3.84 2.01 -0.44 -5.03 115.64 116.86 2ooj s THR 4 Ca 0.00 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2ooj s THR 4 Cb 0.00 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2ooj s THR 4 CO 0.00 0.32 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.32 2ooj s LYS 5 N 0.34 2.73 0.08 4.92 2.20 -1.26 -0.69 119.74 128.06 2ooj s LYS 5 Ca -0.07 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.80 2ooj s LYS 5 Cb -0.12 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2ooj s LYS 5 CO 0.02 -0.26 -0.21 0.14 -0.36 0.00 0.00 175.35 174.68 2ooj s VAL 6 N 1.32 2.61 0.05 4.02 -7.23 -0.38 -4.93 120.40 115.86 2ooj s VAL 6 Ca 0.03 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2ooj s VAL 6 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2ooj s VAL 6 CO -0.12 0.24 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.87 2ooj s THR 7 N -0.99 1.21 -0.03 5.32 2.01 -1.26 -0.26 115.64 121.64 2ooj s THR 7 Ca 0.15 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.69 2ooj s THR 7 Cb -0.10 -1.11 0.12 0.00 0.01 0.00 0.00 72.50 71.41 2ooj s THR 7 CO 0.06 -0.05 1.32 -0.83 -0.69 0.00 0.00 174.62 174.43 2ooj s GLY 8 N -1.39 -0.34 0.37 4.40 0.00 -0.78 -4.62 107.32 104.96 2ooj s GLY 8 Ca 0.01 0.54 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 2ooj s GLY 8 CO 0.02 1.92 0.79 0.54 0.00 0.00 0.00 173.10 176.36 2ooj s LYS 9 N -2.22 3.98 0.03 2.90 1.02 -1.24 -0.45 119.74 123.76 2ooj s LYS 9 Ca 0.19 0.71 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 2ooj s LYS 9 Cb 0.04 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2ooj s LYS 9 CO -0.03 0.06 0.05 -0.59 -0.92 0.00 0.00 175.35 173.92 2ooj s PHE 10 N -2.13 0.24 0.09 3.18 -0.71 -0.75 -1.49 117.98 116.42 2ooj s PHE 10 Ca 0.55 -0.56 0.09 0.00 -1.04 0.00 0.00 56.93 55.97 2ooj s PHE 10 Cb -0.10 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2ooj s PHE 10 CO 0.21 -0.32 -0.22 -0.51 -1.34 0.00 0.00 175.22 173.03 2ooj s ASP 11 N -2.03 3.57 0.00 1.98 1.01 -0.52 -4.18 116.67 116.50 2ooj s ASP 11 Ca -0.07 -0.59 0.03 0.00 0.71 0.00 0.00 52.55 52.64 2ooj s ASP 11 Cb -0.02 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.48 2ooj s ASP 11 CO -0.04 0.21 -0.11 0.54 0.21 0.00 0.00 175.17 175.98 2ooj s VAL 12 N -1.01 0.86 -0.16 -1.27 0.11 -1.26 -1.75 120.40 115.93 2ooj s VAL 12 Ca 0.15 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2ooj s VAL 12 Cb -0.10 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2ooj s VAL 12 CO 0.06 0.17 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.12 2ooj s LYS 13 N -0.44 3.27 -0.25 1.54 2.20 0.27 -5.00 119.74 121.33 2ooj s LYS 13 Ca 0.03 -0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 54.87 2ooj s LYS 13 Cb -0.05 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.58 2ooj s LYS 13 CO -0.00 0.03 0.02 -0.51 -0.36 0.00 0.00 175.35 174.53 2ooj s LEU 14 N 0.81 3.32 -0.26 5.43 1.43 -1.26 -1.59 118.68 126.56 2ooj s LEU 14 Ca -0.05 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2ooj s LEU 14 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2ooj s LEU 14 CO 0.00 -0.07 0.06 -0.89 0.23 0.00 0.00 176.35 175.68 2ooj s THR 15 N 1.52 4.07 0.41 5.49 2.01 -0.23 -4.93 115.64 123.97 2ooj s THR 15 Ca 0.05 -0.41 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 2ooj s THR 15 Cb -0.15 -2.97 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 2ooj s THR 15 CO 0.00 0.25 1.45 -2.84 -0.69 0.00 0.00 174.62 172.79 2ooj s PRO 16 N 1.56 3.93 0.32 4.92 0.02 -1.26 -0.38 135.00 144.11 2ooj s PRO 16 Ca 0.05 2.48 0.03 0.00 0.02 0.00 0.00 61.00 63.58 2ooj s PRO 16 Cb -0.16 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.48 2ooj s PRO 16 CO 0.02 -0.64 0.08 -1.21 -0.33 0.00 0.00 177.00 174.92 2ooj s GLU 17 N -2.24 1.62 -0.33 5.54 2.02 0.08 -4.81 118.70 120.57 2ooj s GLU 17 Ca 0.56 -1.91 -0.26 0.00 0.02 0.00 0.00 54.97 53.38 2ooj s GLU 17 Cb -0.45 -0.63 0.01 0.00 0.10 0.00 0.00 34.13 33.16 2ooj s GLU 17 CO 0.60 -0.27 0.95 1.21 0.02 0.00 0.00 175.26 177.77 2ooj s ASN 18 N -3.45 6.77 0.22 -0.19 3.84 -1.26 -4.12 114.94 116.75 2ooj s ASN 18 Ca 0.35 0.78 -0.30 0.00 0.21 0.00 0.00 52.86 53.90 2ooj s ASN 18 Cb 0.08 -2.48 -0.09 0.00 -0.55 0.00 0.00 41.25 38.21 2ooj s ASN 18 CO 0.15 -0.81 1.16 0.00 -2.79 0.00 0.00 177.10 174.81 2ooj s ALA 19 N 3.42 3.43 0.16 1.71 0.00 -1.26 -4.86 121.76 124.36 2ooj s ALA 19 Ca 0.40 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 2ooj s ALA 19 Cb -0.13 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.65 2ooj s ALA 19 CO 0.16 -0.31 1.82 -0.92 0.00 0.00 0.00 175.76 176.51 2ooj h TYR 20 N 4.65 0.54 -2.71 0.00 3.20 -1.96 -3.44 116.97 117.25 2ooj h TYR 20 Ca -0.45 0.01 -0.46 0.00 3.14 0.00 0.00 58.73 60.97 2ooj h TYR 20 Cb 1.21 -0.18 0.02 0.00 1.54 0.00 0.00 36.73 39.33 2ooj h TYR 20 CO 0.61 0.33 -0.14 0.00 -1.64 0.00 0.00 178.16 177.32 2ooj s ALA 21 N -6.15 3.77 -0.12 1.82 0.00 -1.26 -5.10 121.76 114.71 2ooj s ALA 21 Ca -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2ooj s ALA 21 Cb 0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 2ooj s ALA 21 CO 0.73 -0.25 -0.17 0.99 0.00 0.00 0.00 175.76 177.06 2ooj s THR 22 N -2.46 2.64 0.49 0.00 2.01 -1.26 -4.86 115.64 112.19 2ooj s THR 22 Ca 0.46 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 2ooj s THR 22 Cb -0.10 -2.07 -0.08 0.00 0.01 0.00 0.00 72.50 70.26 2ooj s THR 22 CO 0.37 0.54 1.08 -0.83 -0.69 0.00 0.00 174.62 175.09 2ooj s GLY 23 N 0.37 2.61 0.21 4.40 0.00 -1.26 -4.99 107.32 108.66 2ooj s GLY 23 Ca -0.14 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.32 2ooj s GLY 23 CO 0.07 1.08 0.04 -1.34 0.00 0.00 0.00 173.10 172.95 2ooj s VAL 24 N -1.82 0.64 -1.14 1.40 -7.23 -1.25 -4.78 120.40 106.22 2ooj s VAL 24 Ca 0.67 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2ooj s VAL 24 Cb -0.21 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2ooj s VAL 24 CO 0.25 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2ooj n GLY 25 N -0.34 -0.03 1.28 2.32 0.00 -1.26 -2.03 105.19 105.14 2ooj n GLY 25 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.05 1.10 3.74 -0.02 0.00 -1.26 -4.71 105.19 103.00 2ooj n GLY 26 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.57 3.74 -0.18 1.61 1.01 -0.86 -3.28 120.40 119.87 2ooj s VAL 27 Ca 0.00 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 2ooj s VAL 27 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2ooj s VAL 27 CO 0.00 0.30 -0.13 0.20 0.00 0.00 0.00 175.10 175.48 2ooj s ASN 28 N -0.35 3.74 -0.05 3.32 -0.87 -1.26 -3.74 114.94 115.73 2ooj s ASN 28 Ca 0.48 -0.49 -0.03 0.00 -1.57 0.00 0.00 52.86 51.25 2ooj s ASN 28 Cb -0.30 -1.60 -0.04 0.00 -0.02 0.00 0.00 41.25 39.29 2ooj s ASN 28 CO 0.37 0.03 0.12 -0.76 -2.57 0.00 0.00 177.10 174.28 2ooj s LEU 29 N 1.13 4.13 0.06 0.60 1.43 -1.26 -4.24 118.68 120.54 2ooj s LEU 29 Ca 0.01 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2ooj s LEU 29 Cb -0.14 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2ooj s LEU 29 CO -0.04 0.33 -0.05 -0.83 0.23 0.00 0.00 176.35 175.98 2ooj s GLY 30 N -1.46 0.54 0.30 -3.19 0.00 -0.23 -4.86 107.32 98.41 2ooj s GLY 30 Ca 0.20 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.90 2ooj s GLY 30 CO 0.11 -1.14 0.09 -1.60 0.00 0.00 0.00 173.10 170.55 2ooj s ARG 31 N -2.95 1.55 0.00 2.90 3.52 -1.26 -1.46 118.95 121.25 2ooj s ARG 31 Ca 0.01 -1.86 0.08 0.00 -0.13 0.00 0.00 55.73 53.83 2ooj s ARG 31 Cb 0.00 -0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 2ooj s ARG 31 CO -0.04 -0.28 -0.24 0.00 -0.81 0.00 0.00 175.30 173.93 2ooj s ALA 33 N -3.54 2.00 -0.11 6.12 0.00 0.49 -0.74 121.76 126.00 2ooj s ALA 33 Ca 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2ooj s ALA 33 Cb 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2ooj s ALA 33 CO 0.15 0.48 -0.18 -0.51 0.00 0.00 0.00 175.76 175.70 2ooj s LEU 34 N -0.78 2.46 -0.13 0.00 1.43 0.11 -1.07 118.68 120.71 2ooj s LEU 34 Ca 0.09 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2ooj s LEU 34 Cb -0.09 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2ooj s LEU 34 CO 0.00 0.19 -0.05 -1.81 0.23 0.00 0.00 176.35 174.91 2ooj s ASP 35 N 0.19 2.37 0.14 2.29 1.01 -0.62 -1.54 116.67 120.51 2ooj s ASP 35 Ca -0.10 -0.44 0.08 0.00 0.71 0.00 0.00 52.55 52.80 2ooj s ASP 35 Cb -0.16 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 2ooj s ASP 35 CO 0.06 -0.17 -0.18 -0.54 0.21 0.00 0.00 175.17 174.55 2ooj s LYS 36 N 1.74 1.19 -0.08 8.23 1.02 -0.22 -0.56 119.74 131.05 2ooj s LYS 36 Ca 0.03 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.74 2ooj s LYS 36 Cb -0.14 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2ooj s LYS 36 CO -0.08 0.27 -0.14 0.99 -0.92 0.00 0.00 175.35 175.48 2ooj s THR 37 N -1.76 1.29 -0.03 2.17 2.01 -0.71 -0.85 115.64 117.76 2ooj s THR 37 Ca 0.12 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2ooj s THR 37 Cb -0.07 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2ooj s THR 37 CO 0.05 0.39 0.05 -0.36 -0.69 0.00 0.00 174.62 174.06 2ooj s PHE 38 N 0.73 3.22 0.13 4.92 0.40 0.19 -1.44 117.98 126.13 2ooj s PHE 38 Ca -0.13 0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.47 2ooj s PHE 38 Cb -0.16 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 2ooj s PHE 38 CO 0.03 0.52 -0.19 0.71 0.70 0.00 0.00 175.22 177.00 2ooj s TYR 39 N -1.10 1.72 0.00 0.36 2.02 -0.55 -1.90 117.35 117.90 2ooj s TYR 39 Ca 0.20 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2ooj s TYR 39 Cb -0.12 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 2ooj s TYR 39 CO 0.10 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 2ooj n GLY 40 N 0.74 0.91 0.25 0.71 0.00 -1.26 -3.71 105.19 102.83 2ooj n GLY 40 Ca -0.17 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.48 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 0.29 -4.40 1.61 4.39 -1.92 -3.19 114.58 111.36 2ooj h GLU 41 Ca 0.00 -0.06 -0.72 0.00 0.34 0.00 0.00 59.36 58.91 2ooj h GLU 41 Cb 0.00 -0.04 -0.26 0.00 -0.10 0.00 0.00 28.75 28.35 2ooj h GLU 41 CO 0.00 0.40 -0.41 -1.17 -1.16 0.00 0.00 179.01 176.66 2ooj s LEU 42 N -8.85 5.33 -0.40 1.33 2.96 -1.26 -0.53 118.68 117.26 2ooj s LEU 42 Ca -0.06 -1.43 -0.04 0.00 -0.22 0.00 0.00 54.13 52.38 2ooj s LEU 42 Cb 0.15 -2.06 0.09 0.00 0.50 0.00 0.00 46.19 44.87 2ooj s LEU 42 CO 0.74 -0.58 0.19 -0.70 -1.32 0.00 0.00 176.35 174.68 2ooj s GLU 43 N 1.51 2.23 0.15 1.98 2.12 -0.01 -2.15 118.70 124.53 2ooj s GLU 43 Ca 0.03 -1.64 -0.25 0.00 0.36 0.00 0.00 54.97 53.48 2ooj s GLU 43 Cb -0.23 -3.58 0.06 0.00 0.26 0.00 0.00 34.13 30.64 2ooj s GLU 43 CO 0.04 -0.97 0.85 0.00 -0.54 0.00 0.00 175.26 174.63 2ooj s ALA 44 N 1.23 -1.58 0.17 6.30 0.00 -0.80 -0.32 121.76 126.77 2ooj s ALA 44 Ca 0.05 0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.36 2ooj s ALA 44 Cb -0.22 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2ooj s ALA 44 CO -0.02 -0.94 -0.22 1.03 0.00 0.00 0.00 175.76 175.62 2ooj s ARG 45 N -3.45 1.39 0.03 0.00 0.52 -0.30 -0.63 118.95 116.50 2ooj s ARG 45 Ca 0.09 -1.44 -0.05 0.00 -0.52 0.00 0.00 55.73 53.81 2ooj s ARG 45 Cb -0.02 -1.61 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 2ooj s ARG 45 CO -0.01 0.34 0.08 -1.54 0.02 0.00 0.00 175.30 174.19 2ooj s SER 46 N -2.59 0.16 0.03 0.23 1.04 -0.03 -0.91 113.70 111.63 2ooj s SER 46 Ca 0.17 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2ooj s SER 46 Cb -0.07 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2ooj s SER 46 CO 0.08 -0.44 -0.12 -1.10 0.98 0.00 0.00 173.24 172.64 2ooj s GLN 47 N -2.14 0.81 0.00 4.02 -0.21 -0.76 -1.06 119.66 120.33 2ooj s GLN 47 Ca -0.09 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.66 2ooj s GLN 47 Cb -0.04 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.19 2ooj s GLN 47 CO -0.03 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 2ooj n GLY 48 N 2.12 1.33 0.00 3.09 0.00 -0.59 -0.77 105.19 110.38 2ooj n GLY 48 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.15 -3.63 1.61 1.02 -0.91 0.09 120.64 118.97 2ooj n GLU 49 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 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 -0.65 0.06 -4.62 1.43 -0.21 -2.05 118.68 112.63 2ooj s LEU 51 Ca 0.00 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2ooj s LEU 51 Cb 0.00 2.22 -0.03 0.00 0.03 0.00 0.00 46.19 48.41 2ooj s LEU 51 CO 0.00 -0.21 -0.08 -0.94 0.23 0.00 0.00 176.35 175.36 2ooj s SER 52 N 0.47 0.93 0.39 2.29 1.04 -0.54 -1.46 113.70 116.83 2ooj s SER 52 Ca -0.00 -0.67 0.04 0.00 0.48 0.00 0.00 55.95 55.81 2ooj s SER 52 Cb -0.05 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 2ooj s SER 52 CO -0.04 -0.27 0.16 0.00 0.98 0.00 0.00 173.24 174.07 2ooj s ALA 53 N -1.95 2.69 0.37 5.32 0.00 -0.24 -1.07 121.76 126.88 2ooj s ALA 53 Ca -0.04 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 2ooj s ALA 53 Cb -0.06 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2ooj s ALA 53 CO -0.01 -0.40 0.60 0.95 0.00 0.00 0.00 175.76 176.90 2ooj s THR 55 N -3.28 0.00 -1.39 0.00 -4.23 -1.04 -1.02 115.64 104.67 2ooj s THR 55 Ca 0.27 -1.38 0.25 0.00 -1.18 0.00 0.00 61.69 59.66 2ooj s THR 55 Cb 0.03 -2.77 0.42 0.00 1.34 0.00 0.00 72.50 71.51 2ooj s THR 55 CO 0.17 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.09 2ooj n ALA 56 N -0.57 2.26 -2.99 3.99 0.00 -1.21 -4.70 120.51 117.29 2ooj n ALA 56 Ca -0.03 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 2ooj n ALA 56 Cb 0.61 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.61 4.45 0.11 0.00 1.01 -1.26 -5.04 120.40 117.05 2ooj s VAL 57 Ca 0.23 -0.13 -0.36 0.00 0.00 0.00 0.00 61.98 61.72 2ooj s VAL 57 Cb 0.17 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 33.31 2ooj s VAL 57 CO 0.39 0.33 1.41 0.29 0.00 0.00 0.00 175.10 177.53 2ooj n LYS 58 N 4.87 1.45 -0.68 2.72 4.76 -1.26 -1.60 118.16 128.41 2ooj n LYS 58 Ca -0.16 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2ooj n LYS 58 Cb 0.52 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 2ooj n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ooj n GLY 59 N 2.80 0.73 3.11 0.72 0.00 -1.26 -4.58 105.19 106.71 2ooj n GLY 59 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.39 3.16 0.19 1.61 0.01 -0.63 -0.82 113.70 114.85 2ooj s SER 60 Ca 0.00 -0.67 -0.23 0.00 1.31 0.00 0.00 55.95 56.35 2ooj s SER 60 Cb 0.00 -1.47 0.05 0.00 0.21 0.00 0.00 66.02 64.82 2ooj s SER 60 CO 0.00 -0.01 0.91 0.00 0.41 0.00 0.00 173.24 174.55 2ooj s ALA 61 N 1.29 -1.51 0.03 1.44 0.00 -1.26 -2.51 121.76 119.24 2ooj s ALA 61 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2ooj s ALA 61 Cb -0.13 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2ooj s ALA 61 CO -0.13 -1.04 -0.03 0.20 0.00 0.00 0.00 175.76 174.76 2ooj s GLY 62 N -2.98 0.32 0.08 0.00 0.00 -0.19 -4.50 107.32 100.05 2ooj s GLY 62 Ca 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 2ooj s GLY 62 CO 0.04 -0.84 0.19 -2.52 0.00 0.00 0.00 173.10 169.97 2ooj s TYR 63 N -2.07 0.13 0.08 1.90 1.13 0.02 -1.08 117.35 117.47 2ooj s TYR 63 Ca -0.10 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.05 2ooj s TYR 63 Cb -0.06 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 2ooj s TYR 63 CO -0.03 -0.51 -0.05 0.14 -2.51 0.00 0.00 175.55 172.59 2ooj s VAL 64 N -3.54 0.49 0.00 -3.49 -7.23 -0.53 -0.53 120.40 105.57 2ooj s VAL 64 Ca 0.03 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 2ooj s VAL 64 Cb 0.03 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.54 2ooj s VAL 64 CO -0.09 -0.88 0.75 0.00 -0.31 0.00 0.00 175.10 174.57 2ooj s ALA 65 N -3.55 -1.76 -0.04 1.32 0.00 -1.06 -1.04 121.76 115.63 2ooj s ALA 65 Ca 0.08 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2ooj s ALA 65 Cb 0.05 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.42 2ooj s ALA 65 CO -0.06 -0.55 -0.03 0.42 0.00 0.00 0.00 175.76 175.54 2ooj s ILE 66 N -2.35 0.44 0.01 0.00 1.01 -0.87 -0.90 121.20 118.54 2ooj s ILE 66 Ca -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2ooj s ILE 66 Cb -0.01 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 2ooj s ILE 66 CO -0.02 0.20 -0.08 -1.83 0.00 0.00 0.00 174.94 173.21 2ooj s GLU 67 N 0.86 0.58 -0.27 2.79 -1.05 -0.52 -2.15 118.70 118.94 2ooj s GLU 67 Ca -0.11 -0.41 -0.14 0.00 -0.15 0.00 0.00 54.97 54.16 2ooj s GLU 67 Cb -0.14 -0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 33.00 2ooj s GLU 67 CO -0.00 0.13 0.34 -1.14 0.95 0.00 0.00 175.26 175.54 2ooj s GLN 68 N -0.58 4.00 -0.14 -4.83 2.00 0.05 -1.07 119.66 119.09 2ooj s GLN 68 Ca -0.00 -0.03 -0.07 0.00 -2.00 0.00 0.00 55.36 53.25 2ooj s GLN 68 Cb -0.05 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 2ooj s GLN 68 CO 0.00 -0.26 0.13 0.08 -0.50 0.00 0.00 175.29 174.74 2ooj s VAL 69 N 2.01 5.39 -0.04 1.34 1.01 0.63 -1.83 120.40 128.91 2ooj s VAL 69 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2ooj s VAL 69 Cb -0.16 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.88 2ooj s VAL 69 CO 0.10 0.58 0.00 -0.69 0.00 0.00 0.00 175.10 175.09 2ooj s VAL 70 N -0.70 0.19 -3.36 2.92 1.01 -0.09 -1.54 120.40 118.84 2ooj s VAL 70 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2ooj s VAL 70 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2ooj s VAL 70 CO 0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2ooj n GLY 71 N 4.33 -0.51 3.19 4.51 0.00 -0.58 -1.15 105.19 114.97 2ooj n GLY 71 Ca -0.23 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.89 1.87 -0.19 1.61 1.02 0.57 -0.19 119.74 122.52 2ooj s LYS 72 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.30 2ooj s LYS 72 Cb 0.00 -1.67 0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2ooj s LYS 72 CO 0.00 0.34 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.45 2ooj s LEU 73 N -0.19 2.32 -1.54 3.17 2.96 -0.14 -0.83 118.68 124.44 2ooj s LEU 73 Ca 0.00 -0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 2ooj s LEU 73 Cb -0.11 -1.37 0.06 0.00 0.50 0.00 0.00 46.19 45.28 2ooj s LEU 73 CO 0.01 -0.08 0.55 0.00 -1.32 0.00 0.00 176.35 175.51 2ooj n GLY 75 N -1.79 2.20 3.73 0.00 0.00 -1.26 -5.01 105.19 103.06 2ooj n GLY 75 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 4.17 -0.05 1.61 0.52 -0.83 -4.99 118.95 119.07 2ooj s ARG 76 Ca 0.00 -0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 54.80 2ooj s ARG 76 Cb 0.00 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 2ooj s ARG 76 CO 0.00 0.31 0.69 -1.14 0.02 0.00 0.00 175.30 175.18 2ooj s GLN 77 N 0.33 4.43 0.00 3.54 2.00 -1.26 -0.97 119.66 127.73 2ooj s GLN 77 Ca 0.09 0.87 0.00 0.00 -2.00 0.00 0.00 55.36 54.32 2ooj s GLN 77 Cb -0.11 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.27 2ooj s GLN 77 CO -0.01 0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.30 2ooj n GLY 78 N 2.99 1.85 3.24 2.59 0.00 0.73 -1.02 105.19 115.56 2ooj n GLY 78 Ca -0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 0.13 0.24 1.61 1.04 -1.00 -1.53 113.70 116.19 2ooj s SER 79 Ca 0.00 -0.80 -0.22 0.00 0.48 0.00 0.00 55.95 55.41 2ooj s SER 79 Cb 0.00 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.52 2ooj s SER 79 CO 0.00 -0.78 0.76 0.72 0.98 0.00 0.00 173.24 174.92 2ooj s PHE 80 N -3.92 -0.20 -0.11 5.02 -0.71 -0.59 -0.72 117.98 116.75 2ooj s PHE 80 Ca 0.11 -0.21 -0.02 0.00 -1.04 0.00 0.00 56.93 55.78 2ooj s PHE 80 Cb 0.05 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.51 2ooj s PHE 80 CO -0.06 -1.12 -0.04 0.08 -1.34 0.00 0.00 175.22 172.74 2ooj s VAL 81 N -3.77 3.96 -0.10 -2.49 1.01 -1.26 -0.27 120.40 117.48 2ooj s VAL 81 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2ooj s VAL 81 Cb -0.05 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2ooj s VAL 81 CO 0.05 0.55 0.02 -0.76 0.00 0.00 0.00 175.10 174.96 2ooj s LEU 82 N -0.32 3.69 -0.10 3.92 1.43 -0.24 -1.31 118.68 125.75 2ooj s LEU 82 Ca 0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2ooj s LEU 82 Cb -0.12 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2ooj s LEU 82 CO 0.02 0.36 -0.12 -1.58 0.23 0.00 0.00 176.35 175.27 2ooj s GLN 83 N -0.78 1.86 -0.03 1.70 0.74 -0.53 -1.43 119.66 121.19 2ooj s GLN 83 Ca 0.12 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.14 2ooj s GLN 83 Cb -0.12 -1.69 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 2ooj s GLN 83 CO 0.02 -0.13 -0.09 -1.01 -0.55 0.00 0.00 175.29 173.53 2ooj s HIS 84 N 1.22 2.85 -0.13 1.67 3.76 -0.08 -1.91 115.29 122.67 2ooj s HIS 84 Ca -0.03 -0.05 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2ooj s HIS 84 Cb -0.14 -1.64 0.06 0.00 1.11 0.00 0.00 32.58 31.97 2ooj s HIS 84 CO -0.04 0.31 0.16 0.12 -0.85 0.00 0.00 174.74 174.44 2ooj s PHE 85 N -0.87 -0.12 -0.07 1.40 2.19 -0.04 -2.56 117.98 117.92 2ooj s PHE 85 Ca 0.14 0.31 0.03 0.00 0.33 0.00 0.00 56.93 57.74 2ooj s PHE 85 Cb -0.11 -0.38 0.01 0.00 -1.31 0.00 0.00 43.02 41.23 2ooj s PHE 85 CO 0.04 -0.40 -0.15 0.20 1.83 0.00 0.00 175.22 176.74 2ooj s GLY 86 N 2.27 0.91 0.46 13.12 0.00 0.31 -0.60 107.32 123.79 2ooj s GLY 86 Ca 0.04 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.24 2ooj s GLY 86 CO -0.08 -0.02 0.06 -0.42 0.00 0.00 0.00 173.10 172.65 2ooj s ILE 87 N 0.53 0.93 0.00 0.90 -1.09 -0.89 -0.80 121.20 120.79 2ooj s ILE 87 Ca -0.14 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.28 2ooj s ILE 87 Cb -0.16 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2ooj s ILE 87 CO 0.05 0.00 0.00 0.41 -1.23 0.00 0.00 174.94 174.17 2ooj n THR 89 N -1.08 0.00 -2.06 2.92 -1.04 -1.04 -0.58 114.28 111.41 2ooj n THR 89 Ca -0.12 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.74 2ooj n THR 89 Cb 0.66 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.14 2ooj n THR 89 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2ooj n ASP 90 N 0.00 -4.35 0.00 8.00 8.00 -0.66 -1.17 116.55 126.38 2ooj n ASP 90 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2ooj n ASP 90 Cb 0.00 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 2ooj n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ooj n GLY 91 N -0.65 0.91 3.39 0.44 0.00 0.00 -4.94 105.19 104.34 2ooj n GLY 91 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2ooj n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ooj s GLN 92 N -0.47 2.85 -0.08 1.61 0.74 -0.31 -5.05 119.66 118.95 2ooj s GLN 92 Ca 0.00 -1.13 -0.29 0.00 0.05 0.00 0.00 55.36 53.98 2ooj s GLN 92 Cb 0.00 -3.84 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2ooj s GLN 92 CO 0.00 -0.77 0.99 1.21 -0.55 0.00 0.00 175.29 176.17 2ooj s ASN 93 N 1.74 7.27 -0.39 6.67 2.47 -1.26 -2.49 114.94 128.95 2ooj s ASN 93 Ca 0.03 1.55 -0.12 0.00 0.42 0.00 0.00 52.86 54.75 2ooj s ASN 93 Cb -0.20 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.08 2ooj s ASN 93 CO 0.07 -0.38 0.23 0.00 -3.72 0.00 0.00 177.10 173.30 2ooj s ARG 94 N 1.70 2.83 -0.16 0.43 1.70 0.25 -4.96 118.95 120.74 2ooj s ARG 94 Ca 0.49 -1.11 -0.02 0.00 -0.47 0.00 0.00 55.73 54.62 2ooj s ARG 94 Cb -0.19 -3.79 -0.02 0.00 -0.57 0.00 0.00 34.95 30.38 2ooj s ARG 94 CO 0.21 -0.74 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.44 2ooj s LEU 95 N 1.57 2.89 -0.23 -1.89 2.96 -1.26 -2.10 118.68 120.62 2ooj s LEU 95 Ca 0.03 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2ooj s LEU 95 Cb -0.20 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2ooj s LEU 95 CO 0.07 0.12 0.09 -2.28 -1.32 0.00 0.00 176.35 173.03 2ooj s HIS 96 N 0.64 3.16 -0.11 5.38 5.65 0.23 -5.00 115.29 125.24 2ooj s HIS 96 Ca -0.05 -0.16 -0.04 0.00 0.25 0.00 0.00 55.06 55.06 2ooj s HIS 96 Cb -0.15 -2.21 0.05 0.00 -1.18 0.00 0.00 32.58 29.09 2ooj s HIS 96 CO 0.03 -0.15 0.09 -1.17 -0.65 0.00 0.00 174.74 172.88 2ooj s LEU 97 N 1.21 0.22 0.08 8.88 2.96 -1.26 -0.86 118.68 129.92 2ooj s LEU 97 Ca 0.05 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2ooj s LEU 97 Cb -0.14 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.36 2ooj s LEU 97 CO 0.04 -0.30 -0.08 -1.83 -1.32 0.00 0.00 176.35 172.86 2ooj s GLU 98 N 2.17 0.76 0.12 1.98 -1.05 -0.80 -4.41 118.70 117.46 2ooj s GLU 98 Ca 0.03 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.41 2ooj s GLU 98 Cb -0.14 -0.33 -0.07 0.00 -0.44 0.00 0.00 34.13 33.15 2ooj s GLU 98 CO -0.06 0.03 1.22 0.08 0.95 0.00 0.00 175.26 177.48 2ooj s VAL 99 N -2.71 3.76 -0.01 1.83 1.01 -0.17 -1.45 120.40 122.65 2ooj s VAL 99 Ca 0.04 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 2ooj s VAL 99 Cb -0.01 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2ooj s VAL 99 CO -0.02 0.15 1.35 -0.69 0.00 0.00 0.00 175.10 175.89 2ooj s VAL 100 N 0.63 3.84 0.21 2.92 1.01 -0.43 -4.68 120.40 123.90 2ooj s VAL 100 Ca 0.57 1.21 -0.32 0.00 0.00 0.00 0.00 61.98 63.44 2ooj s VAL 100 Cb -0.32 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 2ooj s VAL 100 CO 0.32 -0.00 1.37 -2.65 0.00 0.00 0.00 175.10 174.14 2ooj n PRO 101 N 5.34 1.84 -1.00 2.72 -0.02 -1.26 -1.27 135.00 141.35 2ooj n PRO 101 Ca 0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2ooj n PRO 101 Cb 0.44 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.01 0.00 0.54 6.00 8.25 -1.26 -4.87 115.22 125.88 2ooj n HIS 102 Ca 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.72 2ooj n HIS 102 Cb 0.29 -1.18 0.37 0.00 1.12 0.00 0.00 29.99 30.60 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 -3.14 0.41 4.64 -1.52 -3.46 113.55 110.48 2ooj h SER 103 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2ooj h SER 103 Cb 0.59 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.73 2ooj h SER 103 CO 0.00 0.00 0.81 -0.83 -0.87 0.00 0.00 176.83 175.94 2ooj s GLY 104 N -3.69 2.00 0.20 -0.77 0.00 -1.26 -4.20 107.32 99.60 2ooj s GLY 104 Ca 0.10 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.16 2ooj s GLY 104 CO 0.60 2.43 0.07 0.00 0.00 0.00 0.00 173.10 176.20 2ooj s ALA 105 N 0.50 1.37 0.00 3.20 0.00 0.10 -4.12 121.76 122.81 2ooj s ALA 105 Ca 0.64 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2ooj s ALA 105 Cb -0.42 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2ooj s ALA 105 CO 0.38 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2ooj n GLY 106 N -0.30 3.21 0.00 0.00 0.00 -1.26 -1.76 105.19 105.08 2ooj n GLY 106 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 13.82 0.47 -0.64 1.61 1.02 -0.19 -2.25 120.64 134.49 2ooj n GLU 107 Ca 0.00 0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.26 2ooj n GLU 107 Cb 0.00 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.23 4.82 -4.67 -4.62 4.77 -0.72 -4.87 117.00 110.47 2ooj n LEU 108 Ca 0.14 -2.53 -0.44 0.00 -0.03 0.00 0.00 56.01 53.15 2ooj n LEU 108 Cb 0.19 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2ooj n LEU 108 CO 0.20 0.78 0.99 0.41 -1.33 0.00 0.00 177.39 178.44 2ooj n THR 109 N 0.98 1.14 -0.81 -5.08 -1.04 -0.95 -1.89 114.28 106.62 2ooj n THR 109 Ca 0.26 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2ooj n THR 109 Cb 0.92 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 1.91 0.75 3.74 3.41 0.00 -1.26 -4.86 105.19 108.88 2ooj n GLY 110 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.37 -0.01 0.99 2.96 -0.79 -0.19 118.68 126.00 2ooj s LEU 111 Ca 0.00 2.77 0.06 0.00 -0.22 0.00 0.00 54.13 56.75 2ooj s LEU 111 Cb 0.00 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2ooj s LEU 111 CO 0.00 -0.82 -0.19 -0.47 -1.32 0.00 0.00 176.35 173.54 2ooj s TYR 112 N 0.32 1.74 0.00 5.38 5.04 0.17 -4.63 117.35 125.37 2ooj s TYR 112 Ca 0.64 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2ooj s TYR 112 Cb -0.45 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 40.75 2ooj s TYR 112 CO 0.42 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 175.02 2ooj n GLY 113 N 2.49 0.95 0.00 8.97 0.00 -1.26 -1.20 105.19 115.14 2ooj n GLY 113 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.24 0.00 -3.47 2.61 -2.24 -0.55 -1.00 114.28 109.38 2ooj n THR 114 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2ooj n THR 114 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.68 -0.08 6.98 0.00 -0.00 -1.38 121.76 123.60 2ooj s ALA 116 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.86 2ooj s ALA 116 Cb 0.00 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.60 2ooj s ALA 116 CO 0.00 -0.59 -0.15 0.42 0.00 0.00 0.00 175.76 175.43 2ooj s ILE 117 N -2.61 1.40 0.39 0.00 -1.09 -1.26 -1.20 121.20 116.84 2ooj s ILE 117 Ca -0.04 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2ooj s ILE 117 Cb -0.01 -1.26 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 2ooj s ILE 117 CO -0.03 0.42 0.14 -0.94 -1.23 0.00 0.00 174.94 173.30 2ooj s SER 118 N 0.61 2.60 -0.11 3.58 1.04 0.03 -4.99 113.70 116.47 2ooj s SER 118 Ca -0.15 -1.66 -0.09 0.00 0.48 0.00 0.00 55.95 54.53 2ooj s SER 118 Cb -0.16 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2ooj s SER 118 CO 0.05 -0.93 0.28 -0.51 0.98 0.00 0.00 173.24 173.11 2ooj s ILE 119 N -3.26 -0.01 -0.06 -1.02 2.07 -1.26 -0.53 121.20 117.13 2ooj s ILE 119 Ca 0.26 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 2ooj s ILE 119 Cb 0.03 -0.41 0.04 0.00 0.13 0.00 0.00 42.46 42.25 2ooj s ILE 119 CO 0.16 0.02 0.12 -0.70 -1.91 0.00 0.00 174.94 172.63 2ooj s GLU 120 N 0.53 0.05 -1.58 3.50 2.12 -0.00 -4.89 118.70 118.42 2ooj s GLU 120 Ca -0.03 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 2ooj s GLU 120 Cb -0.05 -0.23 0.09 0.00 0.26 0.00 0.00 34.13 34.21 2ooj s GLU 120 CO -0.03 -0.20 0.61 -1.71 -0.54 0.00 0.00 175.26 173.39 2ooj n ASN 121 N 4.46 -1.96 0.00 -1.70 5.15 -1.26 -0.56 115.26 119.39 2ooj n ASN 121 Ca -0.22 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 2ooj n ASN 121 Cb 0.51 -2.81 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 2ooj n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ooj n GLY 122 N -1.70 1.22 3.48 8.20 0.00 -1.26 -5.01 105.19 110.13 2ooj n GLY 122 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.02 3.67 0.30 1.61 2.00 0.28 -5.10 119.66 122.40 2ooj s GLN 123 Ca 0.00 -0.50 -0.28 0.00 -2.00 0.00 0.00 55.36 52.58 2ooj s GLN 123 Cb 0.00 -3.06 -0.09 0.00 0.80 0.00 0.00 33.01 30.66 2ooj s GLN 123 CO 0.00 0.10 1.08 -1.01 -0.50 0.00 0.00 175.29 174.95 2ooj s HIS 124 N 0.78 3.56 0.03 1.67 3.76 -1.26 -0.82 115.29 123.01 2ooj s HIS 124 Ca 0.00 1.71 0.05 0.00 -0.15 0.00 0.00 55.06 56.67 2ooj s HIS 124 Cb -0.14 -3.23 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 2ooj s HIS 124 CO 0.02 -0.47 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.24 2ooj s PHE 125 N -1.26 1.23 0.02 1.40 0.40 0.31 -1.80 117.98 118.28 2ooj s PHE 125 Ca 0.47 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2ooj s PHE 125 Cb -0.30 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.46 2ooj s PHE 125 CO 0.38 0.03 0.07 1.52 0.70 0.00 0.00 175.22 177.91 2ooj s TYR 126 N -0.81 3.23 -0.23 0.36 -0.85 0.40 -0.79 117.35 118.66 2ooj s TYR 126 Ca 0.02 0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.73 2ooj s TYR 126 Cb -0.08 -1.70 0.06 0.00 0.38 0.00 0.00 41.96 40.63 2ooj s TYR 126 CO 0.01 0.53 -0.05 -1.21 -1.52 0.00 0.00 175.55 173.30 2ooj s GLU 127 N -1.88 1.63 -0.24 -3.49 8.01 -0.34 -1.86 118.70 120.53 2ooj s GLU 127 Ca 0.24 -0.99 0.00 0.00 0.01 0.00 0.00 54.97 54.23 2ooj s GLU 127 Cb -0.12 -2.59 0.04 0.00 -4.31 0.00 0.00 34.13 27.15 2ooj s GLU 127 CO 0.15 -0.60 -0.10 0.12 0.01 0.00 0.00 175.26 174.85 2ooj s PHE 128 N 1.39 3.09 -0.30 1.61 5.36 0.63 -0.82 117.98 128.94 2ooj s PHE 128 Ca -0.06 -1.83 -0.10 0.00 -0.96 0.00 0.00 56.93 53.98 2ooj s PHE 128 Cb -0.19 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2ooj s PHE 128 CO -0.06 -0.80 0.17 -1.12 -1.46 0.00 0.00 175.22 171.95 2ooj s SER 129 N 1.25 5.73 0.13 6.13 0.01 -0.48 -1.25 113.70 125.22 2ooj s SER 129 Ca -0.02 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.85 2ooj s SER 129 Cb -0.17 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2ooj s SER 129 CO -0.06 -0.15 0.15 0.72 0.41 0.00 0.00 173.24 174.31 2ooj s PHE 130 N 1.67 0.58 0.11 2.43 -0.71 0.14 -1.49 117.98 120.71 2ooj s PHE 130 Ca 0.06 -0.98 -0.03 0.00 -1.04 0.00 0.00 56.93 54.94 2ooj s PHE 130 Cb -0.17 -0.27 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 2ooj s PHE 130 CO 0.08 -0.59 0.20 0.00 -1.34 0.00 0.00 175.22 173.57 2ooj s PHE 132 N -6.47 1.46 0.52 0.00 0.40 -1.26 -0.66 117.98 111.97 2ooj s PHE 132 Ca 0.05 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2ooj s PHE 132 Cb -0.01 -0.91 -0.06 0.00 0.51 0.00 0.00 43.02 42.55 2ooj s PHE 132 CO 0.04 0.01 0.93 -1.21 0.70 0.00 0.00 175.22 175.69 2ooj s GLU 133 N -0.67 3.76 0.27 0.44 0.41 0.73 -4.94 118.70 118.70 2ooj s GLU 133 Ca 0.05 0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 55.03 2ooj s GLU 133 Cb -0.07 -2.20 -0.10 0.00 -1.78 0.00 0.00 34.13 29.98 2ooj s GLU 133 CO 0.00 -0.31 1.41 -1.25 -0.49 0.00 0.00 175.26 174.62 2ooj s PRO 134 N -4.44 4.28 0.00 0.39 0.04 -1.26 -4.84 135.00 129.16 2ooj s PRO 134 Ca 0.55 2.29 0.17 0.00 0.04 0.00 0.00 61.00 64.05 2ooj s PRO 134 Cb -0.10 -3.09 1.04 0.00 0.04 0.00 0.00 34.50 32.38 2ooj s PRO 134 CO 0.40 -0.37 1.44 0.00 0.04 0.00 0.00 177.00 178.51