#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bar s ASN 2 N 0.00 6.15 0.09 5.98 6.03 -1.26 -5.11 114.94 126.82 1bar s ASN 2 Ca 0.00 -0.03 0.05 0.00 -1.03 0.00 0.00 52.86 51.85 1bar s ASN 2 Cb 0.00 -1.57 -0.03 0.00 -3.03 0.00 0.00 41.25 36.62 1bar s ASN 2 CO 0.00 -0.26 -0.14 -0.76 -2.03 0.00 0.00 177.10 173.91 1bar s LEU 3 N -4.10 2.34 0.57 3.54 1.43 -1.26 -5.01 118.68 116.19 1bar s LEU 3 Ca 0.40 -0.71 0.34 0.00 -1.03 0.00 0.00 54.13 53.13 1bar s LEU 3 Cb -0.09 -0.52 1.70 0.00 0.03 0.00 0.00 46.19 47.31 1bar s LEU 3 CO 0.30 -0.11 2.13 -0.65 0.23 0.00 0.00 176.35 178.25 1bar h PRO 4 N 3.93 0.00 0.00 1.29 0.11 -2.05 -3.45 132.00 131.83 1bar h PRO 4 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1bar h PRO 4 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bar h PRO 4 CO 0.45 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 1bar n LEU 5 N -3.30 0.00 0.00 2.35 4.77 -1.26 -3.86 117.00 115.69 1bar n LEU 5 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1bar n LEU 5 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1bar n LEU 5 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1bar n GLY 6 N 0.00 0.00 5.83 -0.72 0.00 -1.26 -4.66 105.19 104.38 1bar n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bar n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bar n ASN 7 N 0.00 0.00 -0.44 1.61 3.02 -1.25 -4.14 115.26 114.05 1bar n ASN 7 Ca 0.00 0.00 0.34 0.00 -0.03 0.00 0.00 54.58 54.89 1bar n ASN 7 Cb 0.00 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 39.72 1bar n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bar n TYR 8 N 0.00 0.21 0.27 3.10 0.18 -1.26 0.61 117.16 120.27 1bar n TYR 8 Ca 0.00 0.22 0.14 0.00 1.88 0.00 0.00 57.90 60.14 1bar n TYR 8 Cb 0.00 -0.59 0.70 0.00 -0.38 0.00 0.00 39.34 39.07 1bar n TYR 8 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1bar h LYS 9 N 0.00 0.00 -6.35 -3.48 1.79 -1.95 -3.45 116.57 103.14 1bar h LYS 9 Ca 0.66 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 58.52 1bar h LYS 9 Cb 2.43 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 33.12 1bar h LYS 9 CO -0.15 0.10 0.96 0.36 -1.08 0.00 0.00 179.45 179.65 1bar n LYS 10 N -3.36 2.08 -0.64 3.15 -0.00 0.20 -4.92 118.16 114.68 1bar n LYS 10 Ca -0.01 0.76 -0.31 0.00 -0.00 0.00 0.00 58.31 58.75 1bar n LYS 10 Cb 0.29 -2.56 0.19 0.00 -0.00 0.00 0.00 35.03 32.94 1bar n LYS 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1bar n PRO 11 N 5.33 -1.60 -4.09 -1.58 -0.03 -1.26 -4.86 135.00 126.91 1bar n PRO 11 Ca 0.21 -0.44 -0.13 0.00 -0.03 0.00 0.00 63.50 63.10 1bar n PRO 11 Cb 0.28 -1.86 -0.05 0.00 -0.03 0.00 0.00 33.50 31.84 1bar n PRO 11 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 175.50 175.62 1bar s LYS 12 N -3.75 1.76 -0.22 -0.52 1.02 0.31 -4.26 119.74 114.07 1bar s LYS 12 Ca 0.60 -1.65 -0.03 0.00 0.02 0.00 0.00 55.97 54.91 1bar s LYS 12 Cb -0.17 0.43 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 1bar s LYS 12 CO 0.66 -0.71 0.07 -0.51 -0.92 0.00 0.00 175.35 173.93 1bar s LEU 13 N -3.19 1.08 0.08 3.17 1.02 -0.32 0.12 118.68 120.63 1bar s LEU 13 Ca 0.30 -0.95 -0.30 0.00 0.02 0.00 0.00 54.13 53.20 1bar s LEU 13 Cb 0.00 -0.53 -0.05 0.00 0.02 0.00 0.00 46.19 45.63 1bar s LEU 13 CO 0.17 -0.35 1.06 -0.76 0.02 0.00 0.00 176.35 176.50 1bar s LEU 14 N 1.91 4.42 -0.38 1.79 1.43 -1.26 0.21 118.68 126.80 1bar s LEU 14 Ca 0.02 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 1bar s LEU 14 Cb -0.17 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.55 1bar s LEU 14 CO -0.14 -0.27 0.16 -0.47 0.23 0.00 0.00 176.35 175.86 1bar s TYR 15 N 0.54 3.42 0.09 0.29 5.04 0.26 -2.40 117.35 124.59 1bar s TYR 15 Ca 0.52 -1.97 -0.31 0.00 -2.44 0.00 0.00 57.07 52.87 1bar s TYR 15 Cb -0.25 -2.80 -0.07 0.00 0.35 0.00 0.00 41.96 39.19 1bar s TYR 15 CO 0.30 -0.88 1.26 0.00 -1.34 0.00 0.00 175.55 174.90 1bar n SER 17 N 3.83 0.58 -4.39 0.00 3.41 0.41 -1.85 113.62 115.61 1bar n SER 17 Ca 0.09 -0.96 -0.44 0.00 -0.26 0.00 0.00 58.87 57.30 1bar n SER 17 Cb 0.45 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1bar n SER 17 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bar s ASN 18 N -2.19 6.19 0.00 4.04 2.47 -1.25 -4.07 114.94 120.13 1bar s ASN 18 Ca 0.38 -1.37 0.00 0.00 0.42 0.00 0.00 52.86 52.29 1bar s ASN 18 Cb 0.21 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 1bar s ASN 18 CO 0.40 -1.17 0.00 0.61 -3.72 0.00 0.00 177.10 173.22 1bar n GLY 19 N 5.29 1.95 2.09 1.21 0.00 -1.26 -4.07 105.19 110.39 1bar n GLY 19 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1bar n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bar n GLY 20 N -2.00 0.08 3.87 -0.02 0.00 -1.06 -5.03 105.19 101.03 1bar n GLY 20 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1bar n GLY 20 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bar n TYR 21 N -2.32 -0.51 -4.92 1.61 4.02 -0.77 -4.83 117.16 109.43 1bar n TYR 21 Ca -0.10 -2.38 -0.33 0.00 -0.01 0.00 0.00 57.90 55.08 1bar n TYR 21 Cb 0.57 -0.45 -0.15 0.00 -0.02 0.00 0.00 39.34 39.28 1bar n TYR 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1bar s PHE 22 N -2.79 2.73 0.20 -0.72 0.08 -0.30 0.10 117.98 117.28 1bar s PHE 22 Ca 0.31 -0.74 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1bar s PHE 22 Cb -0.02 -1.79 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 1bar s PHE 22 CO 0.20 -0.25 1.18 -1.17 -0.10 0.00 0.00 175.22 175.08 1bar s LEU 23 N 0.29 4.46 -0.02 -0.37 2.96 -1.01 -2.47 118.68 122.52 1bar s LEU 23 Ca -0.12 2.24 0.04 0.00 -0.22 0.00 0.00 54.13 56.06 1bar s LEU 23 Cb -0.16 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1bar s LEU 23 CO 0.06 -0.34 -0.13 0.00 -1.32 0.00 0.00 176.35 174.62 1bar s ARG 24 N -0.39 1.18 -0.28 1.98 1.70 0.24 -4.57 118.95 118.80 1bar s ARG 24 Ca 0.52 -0.48 -0.09 0.00 -0.47 0.00 0.00 55.73 55.21 1bar s ARG 24 Cb -0.32 -1.11 -0.02 0.00 -0.57 0.00 0.00 34.95 32.92 1bar s ARG 24 CO 0.37 0.26 0.13 0.42 -1.08 0.00 0.00 175.30 175.40 1bar s ILE 25 N -0.19 4.61 0.57 4.99 1.01 -1.25 -1.38 121.20 129.55 1bar s ILE 25 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1bar s ILE 25 Cb -0.07 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1bar s ILE 25 CO -0.00 0.20 0.88 -0.76 0.00 0.00 0.00 174.94 175.25 1bar s LEU 26 N 1.64 3.30 0.42 2.97 1.43 0.74 -4.85 118.68 124.33 1bar s LEU 26 Ca 0.06 0.72 0.29 0.00 -1.03 0.00 0.00 54.13 54.17 1bar s LEU 26 Cb -0.16 -3.57 1.09 0.00 0.03 0.00 0.00 46.19 43.58 1bar s LEU 26 CO 0.06 -0.99 1.84 -0.65 0.23 0.00 0.00 176.35 176.85 1bar h PRO 27 N -0.10 0.00 -0.65 1.29 0.11 -1.98 0.74 132.00 131.41 1bar h PRO 27 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bar h PRO 27 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bar h PRO 27 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1bar n ASP 28 N -2.76 2.90 -2.07 -2.05 5.75 -1.26 -4.82 116.55 112.24 1bar n ASP 28 Ca 0.02 -2.31 -0.10 0.00 -0.01 0.00 0.00 54.79 52.39 1bar n ASP 28 Cb 0.32 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 39.97 1bar n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bar n GLY 29 N 0.58 0.16 3.16 6.12 0.00 0.25 -4.97 105.19 110.51 1bar n GLY 29 Ca 0.13 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1bar n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bar s THR 30 N -3.16 1.51 -0.23 2.61 2.01 -1.06 -0.69 115.64 116.62 1bar s THR 30 Ca 0.18 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1bar s THR 30 Cb -0.08 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1bar s THR 30 CO 0.35 0.43 0.05 0.54 -0.69 0.00 0.00 174.62 175.30 1bar s VAL 31 N -0.10 4.24 0.01 3.82 0.11 -1.26 -0.19 120.40 127.03 1bar s VAL 31 Ca -0.01 -0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1bar s VAL 31 Cb -0.11 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1bar s VAL 31 CO 0.02 0.38 0.01 -0.90 -3.33 0.00 0.00 175.10 171.28 1bar n ASP 32 N 4.58 -0.03 -4.76 3.54 5.75 -0.48 -4.21 116.55 120.93 1bar n ASP 32 Ca -0.16 -1.05 -0.22 0.00 -0.01 0.00 0.00 54.79 53.34 1bar n ASP 32 Cb 0.52 0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.61 1bar n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1bar s GLY 33 N -1.05 1.50 -0.12 6.12 0.00 -0.24 0.83 107.32 114.35 1bar s GLY 33 Ca 0.01 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 1bar s GLY 33 CO 0.01 -1.54 0.32 -0.51 0.00 0.00 0.00 173.10 171.37 1bar s THR 34 N -2.19 -0.00 -2.76 0.90 -4.23 -1.03 -4.79 115.64 101.54 1bar s THR 34 Ca 0.32 0.01 0.24 0.00 -1.18 0.00 0.00 61.69 61.09 1bar s THR 34 Cb -0.07 -0.45 0.32 0.00 1.34 0.00 0.00 72.50 73.64 1bar s THR 34 CO 0.23 0.00 1.40 0.29 -0.54 0.00 0.00 174.62 176.01 1bar n LYS 35 N 3.02 2.20 -2.74 3.99 4.76 -1.26 -1.14 118.16 126.98 1bar n LYS 35 Ca -0.14 -1.76 -0.42 0.00 -2.87 0.00 0.00 58.31 53.12 1bar n LYS 35 Cb 0.57 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 1bar n LYS 35 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1bar s ASP 36 N -1.87 6.17 0.00 4.39 2.15 -1.26 -4.84 116.67 121.40 1bar s ASP 36 Ca 0.32 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.51 1bar s ASP 36 Cb 0.21 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1bar s ASP 36 CO 0.31 -1.59 0.35 -1.14 -0.17 0.00 0.00 175.17 172.93 1bar n ARG 37 N 8.32 0.00 -0.02 4.34 0.00 -1.26 0.69 116.66 128.73 1bar n ARG 37 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.87 1bar n ARG 37 Cb 0.47 -1.35 -0.11 0.00 0.00 0.00 0.00 32.46 31.47 1bar n ARG 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1bar n SER 38 N -0.85 1.82 -4.51 6.15 3.41 -1.26 -4.99 113.62 113.39 1bar n SER 38 Ca 0.00 0.00 -0.58 0.00 -0.26 0.00 0.00 58.87 58.03 1bar n SER 38 Cb 0.00 1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 65.28 1bar n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bar n ASP 39 N -2.12 0.14 -0.09 4.04 -0.08 0.22 -4.78 116.55 113.88 1bar n ASP 39 Ca -0.08 1.16 -0.08 0.00 -1.51 0.00 0.00 54.79 54.28 1bar n ASP 39 Cb 0.52 -0.95 -0.01 0.00 2.34 0.00 0.00 41.12 43.02 1bar n ASP 39 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1bar h GLN 40 N 3.12 0.37 0.00 -0.67 -0.00 -1.94 -3.16 115.11 112.83 1bar h GLN 40 Ca -0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.13 1bar h GLN 40 Cb 1.42 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1bar h GLN 40 CO 0.66 0.24 0.00 0.72 -0.00 0.00 0.00 178.83 180.46 1bar n HIS 41 N -4.91 0.00 0.62 0.06 8.25 -1.26 -2.87 115.22 115.11 1bar n HIS 41 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1bar n HIS 41 Cb 0.05 -0.48 0.32 0.00 1.12 0.00 0.00 29.99 31.00 1bar n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bar n ILE 42 N -1.48 0.48 -2.98 1.59 -5.35 -1.19 -3.88 119.36 106.53 1bar n ILE 42 Ca 0.01 -0.27 -0.41 0.00 -0.27 0.00 0.00 62.75 61.81 1bar n ILE 42 Cb 0.05 -0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 37.51 1bar n ILE 42 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bar s GLN 43 N -3.12 4.10 0.24 6.28 -2.07 -1.14 -4.58 119.66 119.38 1bar s GLN 43 Ca 0.09 0.71 0.09 0.00 -1.82 0.00 0.00 55.36 54.44 1bar s GLN 43 Cb 0.13 -3.67 -0.04 0.00 -1.09 0.00 0.00 33.01 28.34 1bar s GLN 43 CO 0.64 -0.52 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.55 1bar s LEU 44 N 2.74 3.12 -0.73 2.60 1.43 0.32 -3.44 118.68 124.72 1bar s LEU 44 Ca 0.31 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1bar s LEU 44 Cb -0.15 -1.68 0.18 0.00 0.03 0.00 0.00 46.19 44.57 1bar s LEU 44 CO 0.09 0.03 0.70 -1.58 0.23 0.00 0.00 176.35 175.82 1bar s GLN 45 N -3.45 3.39 0.07 1.70 -0.44 0.22 0.11 119.66 121.27 1bar s GLN 45 Ca 0.30 -2.15 -0.27 0.00 -2.50 0.00 0.00 55.36 50.73 1bar s GLN 45 Cb -0.07 -4.40 -0.05 0.00 -1.64 0.00 0.00 33.01 26.84 1bar s GLN 45 CO 0.19 -1.34 0.85 -1.17 0.50 0.00 0.00 175.29 174.32 1bar s LEU 46 N 0.83 4.46 0.01 3.68 2.96 -1.26 -1.50 118.68 127.86 1bar s LEU 46 Ca 0.14 1.59 -0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1bar s LEU 46 Cb -0.17 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1bar s LEU 46 CO -0.05 -0.03 -0.00 0.00 -1.32 0.00 0.00 176.35 174.95 1bar s ALA 47 N 0.03 0.03 0.40 5.97 0.00 -0.90 -4.96 121.76 122.33 1bar s ALA 47 Ca 0.43 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 1bar s ALA 47 Cb -0.22 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 1bar s ALA 47 CO 0.26 -0.08 0.99 0.00 0.00 0.00 0.00 175.76 176.93 1bar s ALA 48 N -0.64 3.07 -0.10 0.00 0.00 -1.26 -1.08 121.76 121.75 1bar s ALA 48 Ca -0.07 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1bar s ALA 48 Cb -0.04 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1bar s ALA 48 CO -0.00 -0.01 -0.04 -1.91 0.00 0.00 0.00 175.76 173.80 1bar n GLU 49 N -0.22 1.36 0.00 0.00 0.00 0.27 -4.75 120.64 117.29 1bar n GLU 49 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1bar n GLU 49 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.73 1bar n GLU 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1bar n SER 50 N -2.59 0.00 -4.58 4.31 7.64 -1.22 -5.01 113.62 112.17 1bar n SER 50 Ca -0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 1bar n SER 50 Cb 0.75 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 1bar n SER 50 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bar s ILE 51 N -0.32 3.82 -0.12 0.44 -1.09 -1.26 -2.61 121.20 120.05 1bar s ILE 51 Ca 0.00 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1bar s ILE 51 Cb 0.00 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1bar s ILE 51 CO 0.00 -1.22 0.00 0.61 -1.23 0.00 0.00 174.94 173.10 1bar n GLY 52 N 5.23 0.31 3.18 6.18 0.00 -1.26 -5.02 105.19 113.82 1bar n GLY 52 Ca 0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1bar n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bar s GLU 53 N -4.06 0.87 0.02 1.61 2.12 -1.07 -1.33 118.70 116.85 1bar s GLU 53 Ca 0.00 -1.28 -0.28 0.00 0.36 0.00 0.00 54.97 53.77 1bar s GLU 53 Cb 0.00 -0.38 0.07 0.00 0.26 0.00 0.00 34.13 34.08 1bar s GLU 53 CO 0.00 0.03 0.68 0.54 -0.54 0.00 0.00 175.26 175.97 1bar s VAL 54 N -3.13 0.00 -0.15 3.70 0.11 0.13 0.94 120.40 121.99 1bar s VAL 54 Ca 0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1bar s VAL 54 Cb 0.02 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1bar s VAL 54 CO -0.02 0.00 -0.12 -0.72 -3.33 0.00 0.00 175.10 170.91 1bar s TYR 55 N -2.13 2.06 0.09 1.54 -0.85 -0.24 -1.68 117.35 116.14 1bar s TYR 55 Ca -0.06 -1.18 -0.29 0.00 -0.52 0.00 0.00 57.07 55.02 1bar s TYR 55 Cb -0.00 -1.53 -0.05 0.00 0.38 0.00 0.00 41.96 40.76 1bar s TYR 55 CO 0.01 -0.65 0.93 0.42 -1.52 0.00 0.00 175.55 174.74 1bar s ILE 56 N 1.52 4.57 0.08 -3.49 1.09 -1.26 -2.12 121.20 121.59 1bar s ILE 56 Ca 0.04 2.00 0.06 0.00 -1.10 0.00 0.00 60.65 61.66 1bar s ILE 56 Cb -0.13 -4.29 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1bar s ILE 56 CO -0.10 0.31 -0.17 -0.75 -0.10 0.00 0.00 174.94 174.14 1bar s LYS 57 N 0.09 0.95 -0.60 2.79 2.20 -0.56 -0.92 119.74 123.69 1bar s LYS 57 Ca 0.46 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.86 1bar s LYS 57 Cb -0.23 -1.05 0.07 0.00 -1.51 0.00 0.00 37.83 35.12 1bar s LYS 57 CO 0.29 0.24 0.85 0.45 -0.36 0.00 0.00 175.35 176.81 1bar s SER 58 N -1.70 6.21 0.64 1.43 0.15 0.93 0.72 113.70 122.07 1bar s SER 58 Ca 0.02 -0.99 0.25 0.00 0.70 0.00 0.00 55.95 55.92 1bar s SER 58 Cb -0.10 -2.37 1.28 0.00 -1.71 0.00 0.00 66.02 63.12 1bar s SER 58 CO 0.03 -1.25 1.73 0.71 1.20 0.00 0.00 173.24 175.66 1bar h THR 59 N 5.95 0.11 0.00 6.45 1.35 -1.85 1.12 112.91 126.05 1bar h THR 59 Ca -0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.44 1bar h THR 59 Cb 1.08 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1bar h THR 59 CO 1.12 0.00 -1.08 -0.62 -0.25 0.00 0.00 175.52 174.69 1bar n GLU 60 N -3.12 0.52 0.00 4.72 -0.58 -1.26 -4.29 120.64 116.63 1bar n GLU 60 Ca 0.04 0.49 0.13 0.00 -0.42 0.00 0.00 57.16 57.39 1bar n GLU 60 Cb 0.66 -1.67 0.36 0.00 -0.57 0.00 0.00 31.44 30.22 1bar n GLU 60 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1bar n THR 61 N -4.49 0.00 -0.94 2.62 -2.24 -1.10 -4.90 114.28 103.24 1bar n THR 61 Ca -0.23 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1bar n THR 61 Cb 0.52 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1bar n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bar n GLY 62 N 1.32 0.23 3.92 3.38 0.00 0.39 -4.93 105.19 109.49 1bar n GLY 62 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1bar n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bar s GLN 63 N -1.12 1.40 0.24 1.61 -0.21 -1.25 -4.67 119.66 115.66 1bar s GLN 63 Ca 0.00 -0.25 0.11 0.00 0.02 0.00 0.00 55.36 55.25 1bar s GLN 63 Cb 0.00 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 32.00 1bar s GLN 63 CO 0.00 -1.90 -0.21 -0.06 -2.12 0.00 0.00 175.29 171.00 1bar s PHE 64 N -3.64 2.24 0.29 0.91 0.08 -0.66 -0.05 117.98 117.15 1bar s PHE 64 Ca 0.67 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 57.16 1bar s PHE 64 Cb -0.07 -1.03 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 1bar s PHE 64 CO 0.50 0.60 0.79 -1.17 -0.10 0.00 0.00 175.22 175.85 1bar s LEU 65 N -3.16 4.23 0.15 -0.37 0.20 -0.10 -0.13 118.68 119.50 1bar s LEU 65 Ca 0.26 1.49 -0.22 0.00 0.69 0.00 0.00 54.13 56.35 1bar s LEU 65 Cb -0.06 -3.90 0.06 0.00 -0.43 0.00 0.00 46.19 41.87 1bar s LEU 65 CO 0.12 -0.09 0.57 0.00 -0.29 0.00 0.00 176.35 176.66 1bar s ALA 66 N -1.73 -1.49 0.03 5.97 0.00 -0.16 -4.11 121.76 120.27 1bar s ALA 66 Ca 0.49 0.40 0.09 0.00 0.00 0.00 0.00 51.96 52.94 1bar s ALA 66 Cb -0.15 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1bar s ALA 66 CO 0.20 -0.74 -0.25 1.41 0.00 0.00 0.00 175.76 176.37 1bar s MET 67 N -3.74 1.82 0.00 0.00 1.75 -0.20 -0.64 119.30 118.29 1bar s MET 67 Ca 0.01 -1.03 0.00 0.00 -1.25 0.00 0.00 55.69 53.42 1bar s MET 67 Cb -0.01 -1.92 0.00 0.00 2.84 0.00 0.00 34.83 35.75 1bar s MET 67 CO -0.13 0.50 0.00 -0.25 -0.65 0.00 0.00 175.02 174.50 1bar n ASP 68 N 1.98 -0.93 0.00 1.11 8.00 -0.73 -4.79 116.55 121.19 1bar n ASP 68 Ca -0.17 -0.20 0.11 0.00 0.71 0.00 0.00 54.79 55.24 1bar n ASP 68 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 1bar n ASP 68 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1bar n THR 69 N -2.03 0.03 0.86 -3.53 -1.04 -1.26 -2.72 114.28 104.59 1bar n THR 69 Ca 0.00 -0.10 0.10 0.00 -2.04 0.00 0.00 64.05 62.01 1bar n THR 69 Cb 0.00 0.62 0.06 0.00 -1.82 0.00 0.00 70.33 69.19 1bar n THR 69 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1bar n ASP 70 N -1.68 2.47 -0.28 8.00 8.00 -1.26 -4.97 116.55 126.82 1bar n ASP 70 Ca 0.03 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1bar n ASP 70 Cb 0.38 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1bar n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bar n GLY 71 N 1.19 0.96 3.42 0.44 0.00 -1.10 -4.45 105.19 105.64 1bar n GLY 71 Ca 0.11 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1bar n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bar s LEU 72 N -0.57 3.30 -0.08 0.99 2.96 -1.26 0.11 118.68 124.13 1bar s LEU 72 Ca 0.00 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 1bar s LEU 72 Cb 0.00 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1bar s LEU 72 CO 0.00 -0.02 1.32 -0.76 -1.32 0.00 0.00 176.35 175.57 1bar s LEU 73 N 1.50 4.26 0.11 -0.68 1.02 -1.26 -1.78 118.68 121.85 1bar s LEU 73 Ca 0.06 1.88 -0.01 0.00 0.02 0.00 0.00 54.13 56.08 1bar s LEU 73 Cb -0.15 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 1bar s LEU 73 CO 0.02 -0.72 0.04 -0.72 0.02 0.00 0.00 176.35 174.99 1bar s TYR 74 N 2.92 0.80 -0.70 0.29 1.13 0.19 -4.10 117.35 117.88 1bar s TYR 74 Ca 0.59 -1.20 -0.18 0.00 -1.41 0.00 0.00 57.07 54.87 1bar s TYR 74 Cb -0.26 -0.46 0.13 0.00 -1.10 0.00 0.00 41.96 40.26 1bar s TYR 74 CO 0.21 -0.49 0.82 0.20 -2.51 0.00 0.00 175.55 173.78 1bar s GLY 75 N -3.02 1.92 0.19 5.49 0.00 0.13 -0.99 107.32 111.04 1bar s GLY 75 Ca 0.21 -2.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.14 1bar s GLY 75 CO -0.01 1.65 1.01 -0.45 0.00 0.00 0.00 173.10 175.30 1bar s SER 76 N 3.40 7.46 0.15 1.64 0.15 0.81 -4.66 113.70 122.65 1bar s SER 76 Ca 0.17 1.98 0.15 0.00 0.70 0.00 0.00 55.95 58.96 1bar s SER 76 Cb -0.18 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.46 1bar s SER 76 CO 0.01 -0.04 1.11 1.56 1.20 0.00 0.00 173.24 177.07 1bar h GLN 77 N 4.76 0.00 -6.19 5.44 1.08 -1.93 -1.75 115.11 116.52 1bar h GLN 77 Ca -0.44 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.12 1bar h GLN 77 Cb 1.21 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.55 1bar h GLN 77 CO 0.70 0.44 -0.60 -0.08 -0.95 0.00 0.00 178.83 178.33 1bar s THR 78 N -2.91 4.51 -0.25 -0.54 -1.32 -1.26 -4.75 115.64 109.12 1bar s THR 78 Ca 0.00 -0.77 -0.18 0.00 -1.21 0.00 0.00 61.69 59.53 1bar s THR 78 Cb 0.08 -3.17 -0.03 0.00 -1.51 0.00 0.00 72.50 67.87 1bar s THR 78 CO 0.79 0.13 0.51 -2.16 -2.21 0.00 0.00 174.62 171.67 1bar s PRO 79 N -2.39 4.08 0.00 7.08 0.04 -1.26 -4.97 135.00 137.58 1bar s PRO 79 Ca 0.29 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1bar s PRO 79 Cb -0.12 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1bar s PRO 79 CO 0.22 -0.32 0.00 0.27 0.04 0.00 0.00 177.00 177.21 1bar n ASN 80 N 5.44 0.00 0.23 6.66 0.23 -1.26 -5.02 115.26 121.54 1bar n ASN 80 Ca -0.04 -0.73 0.07 0.00 -0.53 0.00 0.00 54.58 53.34 1bar n ASN 80 Cb 0.50 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.74 1bar n ASN 80 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bar h GLU 81 N 0.00 0.00 0.00 -3.83 4.81 -1.98 0.22 114.58 113.80 1bar h GLU 81 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bar h GLU 81 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bar h GLU 81 CO 0.00 0.21 -0.06 0.93 -0.73 0.00 0.00 179.01 179.36 1bar h GLU 82 N 0.00 0.00 0.00 1.92 5.08 -1.94 -2.79 114.58 116.84 1bar h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bar h GLU 82 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1bar h GLU 82 CO 0.03 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1bar s LEU 84 N -5.85 3.98 0.16 0.00 1.43 -1.05 -4.52 118.68 112.82 1bar s LEU 84 Ca -0.02 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1bar s LEU 84 Cb 0.11 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1bar s LEU 84 CO 0.43 -0.27 0.07 -0.36 0.23 0.00 0.00 176.35 176.45 1bar s PHE 85 N -2.12 1.02 -0.30 0.29 0.08 -0.68 -1.00 117.98 115.26 1bar s PHE 85 Ca 0.52 -1.24 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1bar s PHE 85 Cb -0.10 -0.55 0.08 0.00 -0.57 0.00 0.00 43.02 41.87 1bar s PHE 85 CO 0.23 -0.49 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.34 1bar s LEU 86 N -3.11 4.06 0.80 -0.37 1.02 0.14 0.17 118.68 121.39 1bar s LEU 86 Ca 0.28 -1.80 -0.14 0.00 0.02 0.00 0.00 54.13 52.50 1bar s LEU 86 Cb 0.07 -1.54 0.07 0.00 0.02 0.00 0.00 46.19 44.81 1bar s LEU 86 CO 0.05 -0.30 1.14 1.21 0.02 0.00 0.00 176.35 178.47 1bar n GLU 87 N 4.36 0.21 -3.15 1.70 2.13 -0.44 -1.32 120.64 124.13 1bar n GLU 87 Ca -0.04 0.15 0.04 0.00 0.66 0.00 0.00 57.16 57.97 1bar n GLU 87 Cb 0.42 -2.39 -0.01 0.00 0.27 0.00 0.00 31.44 29.74 1bar n GLU 87 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1bar s ARG 88 N -3.98 0.56 0.40 5.31 3.52 -0.51 -4.85 118.95 119.39 1bar s ARG 88 Ca 0.73 0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 56.91 1bar s ARG 88 Cb -0.30 0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 33.45 1bar s ARG 88 CO 0.51 -0.74 1.37 -1.17 -0.81 0.00 0.00 175.30 174.47 1bar s LEU 89 N 2.85 4.25 0.49 -0.88 2.96 -1.26 -1.48 118.68 125.62 1bar s LEU 89 Ca 0.17 2.81 0.07 0.00 -0.22 0.00 0.00 54.13 56.96 1bar s LEU 89 Cb -0.13 -3.81 0.02 0.00 0.50 0.00 0.00 46.19 42.77 1bar s LEU 89 CO -0.22 -0.87 0.43 -0.70 -1.32 0.00 0.00 176.35 173.67 1bar s GLU 90 N -2.17 2.36 0.00 1.98 2.56 0.23 -4.95 118.70 118.71 1bar s GLU 90 Ca 0.55 -1.79 0.23 0.00 0.00 0.00 0.00 54.97 53.97 1bar s GLU 90 Cb -0.42 -2.26 1.11 0.00 2.00 0.00 0.00 34.13 34.56 1bar s GLU 90 CO 0.55 -0.47 1.77 -0.85 -0.56 0.00 0.00 175.26 175.69 1bar n GLU 91 N -1.72 0.20 -0.31 4.30 0.00 -1.26 -1.02 120.64 120.83 1bar n GLU 91 Ca 0.03 0.08 0.08 0.00 0.00 0.00 0.00 57.16 57.35 1bar n GLU 91 Cb 0.63 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.81 1bar n GLU 91 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1bar n ASN 92 N -1.37 3.52 0.00 -1.84 0.23 -1.26 -4.88 115.26 109.66 1bar n ASN 92 Ca 0.09 -2.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 1bar n ASN 92 Cb 0.22 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 1bar n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bar n GLY 93 N 0.85 0.74 3.39 4.83 0.00 -0.19 -5.00 105.19 109.81 1bar n GLY 93 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 1bar n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bar n TYR 94 N -2.38 -2.41 -4.61 1.61 4.02 -1.24 -4.74 117.16 107.42 1bar n TYR 94 Ca 0.00 -1.83 -0.30 0.00 -0.01 0.00 0.00 57.90 55.76 1bar n TYR 94 Cb 0.00 -0.48 -0.13 0.00 -0.02 0.00 0.00 39.34 38.71 1bar n TYR 94 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1bar s ASN 95 N -4.13 3.74 0.26 7.72 -0.87 0.14 0.76 114.94 122.56 1bar s ASN 95 Ca 0.53 -0.47 0.11 0.00 -1.57 0.00 0.00 52.86 51.46 1bar s ASN 95 Cb -0.04 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.25 40.58 1bar s ASN 95 CO 0.34 0.24 -0.19 0.42 -2.57 0.00 0.00 177.10 175.33 1bar s THR 96 N -0.95 2.34 -0.32 1.60 -4.23 -0.55 -1.92 115.64 111.60 1bar s THR 96 Ca 0.15 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1bar s THR 96 Cb -0.10 -2.23 0.10 0.00 1.34 0.00 0.00 72.50 71.61 1bar s THR 96 CO 0.06 -0.40 0.10 -0.31 -0.54 0.00 0.00 174.62 173.53 1bar s TYR 97 N -2.49 1.99 0.09 3.99 2.02 -1.26 -1.43 117.35 120.26 1bar s TYR 97 Ca 0.28 -1.95 -0.26 0.00 -0.37 0.00 0.00 57.07 54.76 1bar s TYR 97 Cb -0.05 -1.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 1bar s TYR 97 CO 0.13 -0.88 0.82 0.42 -1.57 0.00 0.00 175.55 174.47 1bar s ILE 98 N 1.42 4.57 0.41 2.71 1.09 -0.43 -1.27 121.20 129.69 1bar s ILE 98 Ca 0.11 1.76 -0.26 0.00 -1.10 0.00 0.00 60.65 61.16 1bar s ILE 98 Cb -0.18 -4.18 -0.10 0.00 -1.06 0.00 0.00 42.46 36.94 1bar s ILE 98 CO -0.21 0.39 1.27 -0.24 -0.10 0.00 0.00 174.94 176.06 1bar n SER 99 N 2.48 2.58 0.03 3.58 2.88 0.13 -0.68 113.62 124.62 1bar n SER 99 Ca -0.02 1.12 -0.20 0.00 -1.33 0.00 0.00 58.87 58.45 1bar n SER 99 Cb 0.49 -1.50 -0.11 0.00 -0.75 0.00 0.00 64.21 62.35 1bar n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1bar h LYS 100 N 2.16 0.64 0.00 -1.46 3.64 -1.37 -1.16 116.57 119.02 1bar h LYS 100 Ca -0.48 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.22 1bar h LYS 100 Cb 1.29 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1bar h LYS 100 CO 0.60 1.28 0.00 -0.22 -2.27 0.00 0.00 179.45 178.84 1bar h LYS 101 N 0.28 0.00 0.00 1.90 3.11 -1.79 0.11 116.57 120.18 1bar h LYS 101 Ca -0.12 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1bar h LYS 101 Cb 1.61 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.80 1bar h LYS 101 CO 0.19 0.00 -0.37 0.72 -2.81 0.00 0.00 179.45 177.18 1bar n HIS 102 N -2.59 0.00 -0.33 1.91 8.25 -1.09 -4.75 115.22 116.63 1bar n HIS 102 Ca 0.00 -1.00 0.15 0.00 -0.26 0.00 0.00 57.72 56.62 1bar n HIS 102 Cb 0.19 -0.17 0.38 0.00 1.12 0.00 0.00 29.99 31.50 1bar n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bar h ALA 103 N 0.48 1.83 0.00 -1.41 0.00 0.32 -2.14 119.26 118.35 1bar h ALA 103 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bar h ALA 103 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1bar h ALA 103 CO 0.01 -0.19 0.00 -0.85 0.00 0.00 0.00 179.25 178.23 1bar n GLU 104 N -4.69 0.69 -0.09 0.00 0.28 -1.26 -1.85 120.64 113.73 1bar n GLU 104 Ca 0.22 0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.28 1bar n GLU 104 Cb 0.62 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 32.07 1bar n GLU 104 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1bar n LYS 105 N -1.06 2.50 -3.95 3.44 2.85 -0.84 -5.01 118.16 116.08 1bar n LYS 105 Ca 0.17 -2.01 -0.40 0.00 -1.05 0.00 0.00 58.31 55.03 1bar n LYS 105 Cb 0.11 -1.26 0.02 0.00 -0.65 0.00 0.00 35.03 33.25 1bar n LYS 105 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1bar n HIS 106 N -0.60 -1.60 -3.06 5.58 8.25 -0.77 -4.95 115.22 118.06 1bar n HIS 106 Ca 0.08 0.27 -0.39 0.00 -0.26 0.00 0.00 57.72 57.42 1bar n HIS 106 Cb 0.44 -2.90 -0.05 0.00 1.12 0.00 0.00 29.99 28.60 1bar n HIS 106 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1bar s TRP 107 N -3.42 3.78 0.22 4.41 0.52 -1.10 -4.82 118.94 118.54 1bar s TRP 107 Ca 0.40 1.44 0.08 0.00 0.02 0.00 0.00 56.10 58.05 1bar s TRP 107 Cb -0.21 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.34 1bar s TRP 107 CO 0.94 0.39 0.01 -0.06 0.02 0.00 0.00 176.95 178.25 1bar s PHE 108 N -0.50 2.80 0.00 -1.98 0.08 -1.26 0.18 117.98 117.30 1bar s PHE 108 Ca 0.35 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.93 1bar s PHE 108 Cb -0.21 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1bar s PHE 108 CO 0.22 0.56 1.03 0.08 -0.10 0.00 0.00 175.22 177.01 1bar s VAL 109 N -1.99 4.67 -0.26 -0.44 1.01 -0.40 -4.54 120.40 118.47 1bar s VAL 109 Ca 0.29 1.92 -0.23 0.00 0.00 0.00 0.00 61.98 63.96 1bar s VAL 109 Cb -0.08 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1bar s VAL 109 CO 0.19 0.13 0.68 -0.83 0.00 0.00 0.00 175.10 175.27 1bar s GLY 110 N 1.04 -0.51 -0.17 4.51 0.00 -1.26 -4.45 107.32 106.48 1bar s GLY 110 Ca 0.53 1.93 -0.06 0.00 0.00 0.00 0.00 44.72 47.13 1bar s GLY 110 CO 0.27 1.68 0.02 1.08 0.00 0.00 0.00 173.10 176.15 1bar s LEU 111 N 0.40 3.56 1.15 0.66 1.43 -1.09 0.13 118.68 124.92 1bar s LEU 111 Ca -0.00 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 1bar s LEU 111 Cb -0.05 -1.88 0.26 0.00 0.03 0.00 0.00 46.19 44.55 1bar s LEU 111 CO 0.00 0.16 1.07 -0.54 0.23 0.00 0.00 176.35 177.27 1bar s LYS 112 N 0.41 -0.78 0.37 1.70 1.02 0.30 -4.33 119.74 118.42 1bar s LYS 112 Ca 0.00 0.34 0.10 0.00 0.02 0.00 0.00 55.97 56.43 1bar s LYS 112 Cb -0.13 -1.61 0.72 0.00 -0.52 0.00 0.00 37.83 36.29 1bar s LYS 112 CO 0.01 -3.51 1.87 1.57 -0.92 0.00 0.00 175.35 174.38 1bar h LYS 113 N -2.44 0.19 -0.02 1.68 2.10 -1.85 0.47 116.57 116.69 1bar h LYS 113 Ca -0.52 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1bar h LYS 113 Cb 1.32 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1bar h LYS 113 CO 0.46 0.41 0.00 0.27 -2.00 0.00 0.00 179.45 178.59 1bar n ASN 114 N -4.21 0.35 0.00 7.07 6.94 -1.26 -4.73 115.26 119.43 1bar n ASN 114 Ca -0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1bar n ASN 114 Cb 0.33 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1bar n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bar n GLY 115 N 0.93 3.07 3.68 4.83 0.00 0.16 -4.99 105.19 112.87 1bar n GLY 115 Ca 0.18 -0.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 1bar n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bar n ARG 116 N 0.00 2.28 -0.77 1.61 -4.01 -1.26 -1.08 116.66 113.42 1bar n ARG 116 Ca 0.00 0.82 -0.34 0.00 -1.04 0.00 0.00 57.85 57.29 1bar n ARG 116 Cb 0.00 -2.60 0.13 0.00 -3.04 0.00 0.00 32.46 26.95 1bar n ARG 116 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1bar n SER 117 N 3.39 -2.64 -4.68 2.89 3.41 -1.26 0.11 113.62 114.83 1bar n SER 117 Ca 0.16 -0.05 -0.23 0.00 -0.26 0.00 0.00 58.87 58.48 1bar n SER 117 Cb 0.30 -0.85 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 1bar n SER 117 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1bar s LYS 118 N -3.04 2.27 -0.28 4.33 2.20 0.35 -4.54 119.74 121.03 1bar s LYS 118 Ca 0.50 -1.57 -0.09 0.00 -0.36 0.00 0.00 55.97 54.46 1bar s LYS 118 Cb -0.07 -2.11 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 1bar s LYS 118 CO 0.67 0.18 0.13 -1.17 -0.36 0.00 0.00 175.35 174.80 1bar s LEU 119 N -3.77 3.83 0.00 5.43 2.96 -1.26 -4.20 118.68 121.67 1bar s LEU 119 Ca 0.35 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1bar s LEU 119 Cb -0.03 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1bar s LEU 119 CO 0.21 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1bar n GLY 120 N 4.98 0.00 0.04 7.98 0.00 0.31 0.25 105.19 118.75 1bar n GLY 120 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1bar n GLY 120 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bar n PRO 121 N -1.74 0.10 -0.89 1.61 -0.02 -1.26 -1.39 135.00 131.40 1bar n PRO 121 Ca 0.00 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.67 1bar n PRO 121 Cb 0.00 -1.62 0.41 0.00 -0.02 0.00 0.00 33.50 32.26 1bar n PRO 121 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bar n ARG 122 N -1.80 4.88 -3.66 -0.52 1.74 0.14 -4.86 116.66 112.59 1bar n ARG 122 Ca 0.06 -3.17 -0.20 0.00 -0.77 0.00 0.00 57.85 53.77 1bar n ARG 122 Cb 0.35 -2.26 -0.01 0.00 -1.02 0.00 0.00 32.46 29.51 1bar n ARG 122 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1bar s THR 123 N -2.74 4.29 -0.17 0.55 2.01 -0.49 -4.94 115.64 114.15 1bar s THR 123 Ca 0.55 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1bar s THR 123 Cb 0.42 -3.48 0.14 0.00 0.01 0.00 0.00 72.50 69.58 1bar s THR 123 CO 0.16 -0.21 1.08 -2.28 -0.69 0.00 0.00 174.62 172.68 1bar s HIS 124 N -2.15 -0.28 0.07 4.92 2.46 -1.26 -4.89 115.29 114.16 1bar s HIS 124 Ca 0.41 0.42 -0.31 0.00 0.47 0.00 0.00 55.06 56.06 1bar s HIS 124 Cb -0.09 0.47 -0.08 0.00 -0.13 0.00 0.00 32.58 32.75 1bar s HIS 124 CO 0.30 -0.29 1.69 0.12 -2.47 0.00 0.00 174.74 174.09 1bar s PHE 125 N -1.44 2.32 0.00 3.88 5.36 -1.26 -2.22 117.98 124.61 1bar s PHE 125 Ca 0.02 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1bar s PHE 125 Cb -0.01 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 1bar s PHE 125 CO -0.02 -4.09 0.00 0.41 -1.46 0.00 0.00 175.22 170.06 1bar n GLY 126 N 4.06 0.73 3.94 13.12 0.00 -1.26 -5.06 105.19 120.72 1bar n GLY 126 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1bar n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bar s GLN 127 N -0.52 3.21 0.34 1.61 -0.21 -0.94 -4.96 119.66 118.19 1bar s GLN 127 Ca 0.00 -0.27 0.15 0.00 0.02 0.00 0.00 55.36 55.26 1bar s GLN 127 Cb 0.00 -2.51 0.57 0.00 1.00 0.00 0.00 33.01 32.07 1bar s GLN 127 CO 0.00 -0.23 1.70 0.87 -2.12 0.00 0.00 175.29 175.51 1bar h LYS 128 N 0.36 0.00 -0.48 2.91 6.56 -1.93 -2.96 116.57 121.02 1bar h LYS 128 Ca -0.47 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.10 1bar h LYS 128 Cb 1.24 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.87 1bar h LYS 128 CO 0.59 0.47 0.19 0.00 -2.06 0.00 0.00 179.45 178.64 1bar h ALA 129 N 1.53 1.44 0.00 3.86 0.00 -1.91 -0.92 119.26 123.26 1bar h ALA 129 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bar h ALA 129 Cb 0.94 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bar h ALA 129 CO 0.06 0.43 0.00 0.44 0.00 0.00 0.00 179.25 180.18 1bar n ILE 130 N -4.36 0.00 -3.55 0.00 -5.35 -1.12 -2.66 119.36 102.32 1bar n ILE 130 Ca 0.04 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.11 1bar n ILE 130 Cb 0.15 -0.20 -0.11 0.00 -1.74 0.00 0.00 39.64 37.74 1bar n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bar s LEU 131 N -1.35 4.69 0.07 7.28 1.43 -0.35 -4.45 118.68 126.00 1bar s LEU 131 Ca 0.16 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1bar s LEU 131 Cb 0.07 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1bar s LEU 131 CO 0.12 -0.34 -0.25 -0.36 0.23 0.00 0.00 176.35 175.75 1bar s PHE 132 N 1.63 2.35 -0.30 0.29 0.40 -0.81 -0.44 117.98 121.11 1bar s PHE 132 Ca 0.04 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1bar s PHE 132 Cb -0.18 -1.36 0.07 0.00 0.51 0.00 0.00 43.02 42.06 1bar s PHE 132 CO 0.08 0.21 -0.03 -1.17 0.70 0.00 0.00 175.22 175.01 1bar s LEU 133 N -1.52 4.00 0.24 -0.37 2.96 -0.18 0.25 118.68 124.06 1bar s LEU 133 Ca 0.13 -1.64 -0.31 0.00 -0.22 0.00 0.00 54.13 52.09 1bar s LEU 133 Cb -0.10 -1.61 -0.13 0.00 0.50 0.00 0.00 46.19 44.85 1bar s LEU 133 CO 0.04 -0.28 1.48 -0.81 -1.32 0.00 0.00 176.35 175.46 1bar n PRO 134 N 4.42 2.21 -4.30 0.98 -0.05 -1.26 0.90 135.00 137.89 1bar n PRO 134 Ca -0.08 0.79 -0.16 0.00 -0.05 0.00 0.00 63.50 64.00 1bar n PRO 134 Cb 0.42 -2.50 -0.10 0.00 -0.05 0.00 0.00 33.50 31.27 1bar n PRO 134 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1bar s LEU 135 N 0.14 2.32 0.00 1.53 1.02 0.56 -4.90 118.68 119.35 1bar s LEU 135 Ca 0.69 -1.14 -0.15 0.00 0.02 0.00 0.00 54.13 53.55 1bar s LEU 135 Cb -0.62 -0.32 -0.06 0.00 0.02 0.00 0.00 46.19 45.22 1bar s LEU 135 CO 0.47 -0.44 0.41 -2.84 0.02 0.00 0.00 176.35 173.97 1bar s PRO 136 N -3.81 3.91 0.24 1.29 0.02 -1.26 -1.18 135.00 134.21 1bar s PRO 136 Ca 0.24 0.41 -0.04 0.00 0.02 0.00 0.00 61.00 61.63 1bar s PRO 136 Cb 0.04 -3.21 0.43 0.00 0.02 0.00 0.00 34.50 31.78 1bar s PRO 136 CO 0.06 0.69 1.76 0.28 -0.33 0.00 0.00 177.00 179.46 1bar h VAL 137 N 3.68 0.76 0.00 3.83 2.07 -1.89 -3.44 116.25 121.25 1bar h VAL 137 Ca -0.52 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1bar h VAL 137 Cb 1.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1bar h VAL 137 CO 0.62 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 177.11