#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bar s LYS 12 N 0.00 0.63 0.57 0.54 3.01 0.39 -1.38 119.74 123.49 1bar s LYS 12 Ca 0.00 1.06 -0.20 0.00 -1.01 0.00 0.00 55.97 55.82 1bar s LYS 12 Cb 0.00 0.13 -0.04 0.00 -1.01 0.00 0.00 37.83 36.91 1bar s LYS 12 CO 0.00 -0.13 1.29 -0.51 0.51 0.00 0.00 175.35 176.51 1bar s LEU 13 N 1.50 3.77 -0.43 3.17 1.43 0.72 -1.91 118.68 126.93 1bar s LEU 13 Ca -0.09 2.60 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 1bar s LEU 13 Cb -0.05 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.87 1bar s LEU 13 CO -0.18 -1.59 0.22 -0.22 0.23 0.00 0.00 176.35 174.80 1bar s LEU 14 N -3.77 5.17 -0.72 1.79 2.96 -1.26 -0.51 118.68 122.34 1bar s LEU 14 Ca 0.74 -2.17 -0.27 0.00 -0.22 0.00 0.00 54.13 52.21 1bar s LEU 14 Cb -0.36 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1bar s LEU 14 CO 0.41 -0.50 1.34 -0.47 -1.32 0.00 0.00 176.35 175.82 1bar s TYR 15 N 0.93 2.22 0.11 5.38 5.04 -0.75 -1.74 117.35 128.54 1bar s TYR 15 Ca 0.10 0.05 -0.30 0.00 -2.44 0.00 0.00 57.07 54.48 1bar s TYR 15 Cb -0.22 -4.57 -0.06 0.00 0.35 0.00 0.00 41.96 37.46 1bar s TYR 15 CO -0.04 -2.10 1.16 0.00 -1.34 0.00 0.00 175.55 173.23 1bar n SER 17 N 3.28 0.04 0.00 0.00 2.88 -0.17 -2.48 113.62 117.17 1bar n SER 17 Ca 0.06 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1bar n SER 17 Cb 0.46 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1bar n SER 17 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bar n ASN 18 N -1.54 0.00 0.00 -3.46 4.05 -1.25 -3.47 115.26 109.59 1bar n ASN 18 Ca 0.04 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.09 1bar n ASN 18 Cb 0.19 0.00 0.14 0.00 1.23 0.00 0.00 39.78 41.34 1bar n ASN 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bar n GLY 19 N 1.11 -0.93 1.06 8.20 0.00 -1.26 -4.85 105.19 108.52 1bar n GLY 19 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.50 0.72 1.36 -0.02 0.00 -1.03 -5.05 105.19 101.67 1bar n GLY 20 Ca 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 -3.27 -3.81 1.61 4.01 -1.23 -4.68 117.16 107.25 1bar n TYR 21 Ca 0.00 -0.38 -0.24 0.00 -0.16 0.00 0.00 57.90 57.12 1bar n TYR 21 Cb 0.00 -0.45 -0.17 0.00 -0.31 0.00 0.00 39.34 38.40 1bar n TYR 21 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1bar s PHE 22 N -1.74 0.92 0.11 -0.72 0.08 -0.10 -0.90 117.98 115.63 1bar s PHE 22 Ca 0.28 -0.35 -0.35 0.00 0.12 0.00 0.00 56.93 56.63 1bar s PHE 22 Cb -0.03 -0.93 -0.17 0.00 -0.57 0.00 0.00 43.02 41.31 1bar s PHE 22 CO 0.21 -0.39 1.14 -0.11 -0.10 0.00 0.00 175.22 175.98 1bar n LEU 23 N 5.09 0.95 -3.66 -0.37 7.94 -0.71 -0.72 117.00 125.51 1bar n LEU 23 Ca -0.09 1.14 -0.26 0.00 -1.11 0.00 0.00 56.01 55.69 1bar n LEU 23 Cb 0.50 -1.11 -0.17 0.00 0.53 0.00 0.00 43.42 43.17 1bar n LEU 23 CO 0.12 -1.52 -0.34 -0.60 -1.11 0.00 0.00 177.39 173.94 1bar s ARG 24 N -0.09 0.28 -0.30 1.96 3.52 0.30 -4.61 118.95 120.02 1bar s ARG 24 Ca 0.80 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.99 1bar s ARG 24 Cb -0.99 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 1bar s ARG 24 CO 0.52 -0.64 0.71 0.42 -0.81 0.00 0.00 175.30 175.49 1bar s ILE 25 N 2.03 4.87 0.34 4.11 1.01 -1.14 -0.83 121.20 131.60 1bar s ILE 25 Ca 0.01 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.68 1bar s ILE 25 Cb -0.16 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.31 1bar s ILE 25 CO -0.08 -0.18 0.47 0.18 0.00 0.00 0.00 174.94 175.33 1bar n LEU 26 N 6.02 0.00 0.07 2.97 4.77 0.86 -4.84 117.00 126.85 1bar n LEU 26 Ca 0.01 -0.80 0.08 0.00 -0.03 0.00 0.00 56.01 55.26 1bar n LEU 26 Cb 0.48 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1bar n LEU 26 CO 0.48 -0.77 -0.12 -2.65 -1.33 0.00 0.00 177.39 172.99 1bar n PRO 27 N -1.91 0.61 -0.21 3.23 -0.02 -1.26 -2.45 135.00 132.99 1bar n PRO 27 Ca 0.07 0.14 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 1bar n PRO 27 Cb 0.25 -1.81 0.11 0.00 -0.02 0.00 0.00 33.50 32.03 1bar n PRO 27 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bar n ASP 28 N -2.73 2.01 0.00 2.55 5.75 -1.26 -4.83 116.55 118.03 1bar n ASP 28 Ca -0.04 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1bar n ASP 28 Cb 0.65 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.32 1.35 3.68 6.12 0.00 -1.03 -4.97 105.19 110.66 1bar n GLY 29 Ca 0.07 0.00 -0.43 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 -3.17 4.76 -0.06 2.61 2.01 -1.26 -0.83 115.64 119.69 1bar s THR 30 Ca 0.00 2.04 -0.01 0.00 0.31 0.00 0.00 61.69 64.03 1bar s THR 30 Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1bar s THR 30 CO 0.00 -0.04 -0.00 0.54 -0.69 0.00 0.00 174.62 174.43 1bar s VAL 31 N 2.31 4.25 0.00 3.82 0.11 -1.26 -0.10 120.40 129.53 1bar s VAL 31 Ca 0.47 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1bar s VAL 31 Cb -0.17 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1bar s VAL 31 CO 0.15 0.54 0.00 -0.90 -3.33 0.00 0.00 175.10 171.56 1bar n ASP 32 N 1.92 0.00 -4.20 3.54 5.75 -0.01 -4.45 116.55 119.10 1bar n ASP 32 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.47 1bar n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.06 0.90 0.01 6.12 0.00 0.77 -0.54 107.32 114.52 1bar s GLY 33 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1bar s GLY 33 CO 0.00 -1.37 -0.04 -1.08 0.00 0.00 0.00 173.10 170.62 1bar s THR 34 N -2.76 0.27 -2.02 0.90 -1.32 0.10 -4.79 115.64 106.03 1bar s THR 34 Ca 0.09 -0.34 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 1bar s THR 34 Cb -0.01 -0.27 0.23 0.00 -1.51 0.00 0.00 72.50 70.94 1bar s THR 34 CO -0.00 -0.05 1.22 0.29 -2.21 0.00 0.00 174.62 173.87 1bar n LYS 35 N 2.66 1.51 -3.49 7.08 5.02 -1.26 -0.92 118.16 128.75 1bar n LYS 35 Ca -0.15 -0.79 -0.40 0.00 -2.02 0.00 0.00 58.31 54.95 1bar n LYS 35 Cb 0.58 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 1bar n LYS 35 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1bar s ASP 36 N -1.07 6.10 0.06 4.39 -1.08 -1.26 -4.94 116.67 118.87 1bar s ASP 36 Ca 0.17 -0.36 -0.17 0.00 -0.52 0.00 0.00 52.55 51.67 1bar s ASP 36 Cb 0.09 -2.16 -0.15 0.00 -1.46 0.00 0.00 42.92 39.24 1bar s ASP 36 CO 0.12 -0.26 1.29 0.03 0.52 0.00 0.00 175.17 176.87 1bar h ARG 37 N 8.48 0.58 -0.89 4.34 3.08 -2.01 -2.56 114.38 125.41 1bar h ARG 37 Ca -0.31 -0.41 0.19 0.00 0.07 0.00 0.00 59.98 59.52 1bar h ARG 37 Cb 1.15 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 1bar h ARG 37 CO 0.65 1.03 0.58 0.66 -1.07 0.00 0.00 179.97 181.83 1bar h SER 38 N 0.23 0.45 -1.67 7.04 4.64 -1.99 -3.45 113.55 118.81 1bar h SER 38 Ca -0.01 0.04 -0.68 0.00 -0.47 0.00 0.00 61.79 60.68 1bar h SER 38 Cb 1.06 -0.04 0.08 0.00 -0.31 0.00 0.00 62.40 63.19 1bar h SER 38 CO 0.10 0.19 0.16 -0.67 -0.87 0.00 0.00 176.83 175.74 1bar n ASP 39 N -4.53 0.85 0.03 4.97 -0.08 -0.97 -4.87 116.55 111.96 1bar n ASP 39 Ca 0.19 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 54.73 1bar n ASP 39 Cb 0.64 -1.14 0.16 0.00 2.34 0.00 0.00 41.12 43.13 1bar n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bar n GLN 40 N 1.68 0.17 0.00 -0.67 -0.00 -1.26 -3.96 117.38 113.33 1bar n GLN 40 Ca 0.16 0.03 0.11 0.00 -0.00 0.00 0.00 57.00 57.30 1bar n GLN 40 Cb 0.22 -1.58 0.66 0.00 -0.00 0.00 0.00 30.24 29.53 1bar n GLN 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1bar n HIS 41 N -1.81 0.00 0.25 2.61 8.25 -1.26 -3.54 115.22 119.71 1bar n HIS 41 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1bar n HIS 41 Cb 0.39 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.99 0.47 -2.83 1.59 -5.35 -1.25 -2.87 119.36 108.12 1bar n ILE 42 Ca 0.17 -0.73 -0.43 0.00 -0.27 0.00 0.00 62.75 61.48 1bar n ILE 42 Cb 0.08 0.95 -0.03 0.00 -1.74 0.00 0.00 39.64 38.90 1bar n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1bar s GLN 43 N -1.21 3.53 0.16 6.28 -0.21 -1.23 -4.33 119.66 122.66 1bar s GLN 43 Ca 0.27 -1.49 0.03 0.00 0.02 0.00 0.00 55.36 54.18 1bar s GLN 43 Cb 0.16 -4.92 -0.03 0.00 1.00 0.00 0.00 33.01 29.22 1bar s GLN 43 CO 0.22 -1.88 0.28 -0.51 -2.12 0.00 0.00 175.29 171.29 1bar s LEU 44 N 3.38 4.29 -0.02 2.90 1.43 -0.80 -2.25 118.68 127.60 1bar s LEU 44 Ca 0.34 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1bar s LEU 44 Cb -0.05 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1bar s LEU 44 CO -0.07 0.04 -0.20 0.00 0.23 0.00 0.00 176.35 176.35 1bar s GLN 45 N -3.32 1.69 -0.12 1.70 -2.07 -0.47 0.15 119.66 117.22 1bar s GLN 45 Ca 0.34 -0.72 -0.05 0.00 -1.82 0.00 0.00 55.36 53.12 1bar s GLN 45 Cb -0.11 -1.60 -0.04 0.00 -1.09 0.00 0.00 33.01 30.17 1bar s GLN 45 CO 0.28 0.41 0.05 -0.51 -1.32 0.00 0.00 175.29 174.20 1bar s LEU 46 N -0.41 3.82 0.13 2.60 1.43 -1.26 -1.46 118.68 123.53 1bar s LEU 46 Ca 0.06 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1bar s LEU 46 Cb -0.08 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1bar s LEU 46 CO -0.00 0.32 -0.19 0.00 0.23 0.00 0.00 176.35 176.71 1bar s ALA 47 N -0.53 1.80 -0.28 4.21 0.00 -0.48 -4.91 121.76 121.58 1bar s ALA 47 Ca 0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 1bar s ALA 47 Cb -0.12 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1bar s ALA 47 CO 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 175.76 176.05 1bar s ALA 48 N -1.61 2.82 -1.34 0.00 0.00 -1.26 0.73 121.76 121.10 1bar s ALA 48 Ca 0.10 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1bar s ALA 48 Cb -0.08 -1.90 0.10 0.00 0.00 0.00 0.00 23.12 21.24 1bar s ALA 48 CO 0.05 -1.06 1.91 -1.91 0.00 0.00 0.00 175.76 174.75 1bar n GLU 49 N 4.69 3.20 0.00 0.00 0.00 0.28 -4.74 120.64 124.08 1bar n GLU 49 Ca -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 57.16 53.83 1bar n GLU 49 Cb 0.45 -3.21 0.00 0.00 0.00 0.00 0.00 31.44 28.68 1bar n GLU 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1bar n SER 50 N 6.03 0.00 -4.74 4.31 3.41 -1.25 -4.69 113.62 116.69 1bar n SER 50 Ca 0.46 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.69 1bar n SER 50 Cb 0.41 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1bar n SER 50 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1bar s ILE 51 N -0.93 5.13 0.00 -1.33 2.07 -1.26 -2.66 121.20 122.23 1bar s ILE 51 Ca 0.00 0.97 0.00 0.00 -1.41 0.00 0.00 60.65 60.21 1bar s ILE 51 Cb 0.00 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 38.77 1bar s ILE 51 CO 0.00 0.37 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 1bar n GLY 52 N 2.99 3.06 3.51 1.50 0.00 -1.26 -4.97 105.19 110.02 1bar n GLY 52 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1bar n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bar s GLU 53 N -0.35 3.73 0.19 1.61 2.02 -1.09 -0.73 118.70 124.09 1bar s GLU 53 Ca 0.00 -0.47 0.09 0.00 0.02 0.00 0.00 54.97 54.61 1bar s GLU 53 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1bar s GLU 53 CO 0.00 0.11 -0.18 0.08 0.02 0.00 0.00 175.26 175.29 1bar s VAL 54 N 0.77 1.93 0.14 2.63 1.01 -0.60 0.10 120.40 126.38 1bar s VAL 54 Ca 0.01 -2.07 0.10 0.00 0.00 0.00 0.00 61.98 60.02 1bar s VAL 54 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1bar s VAL 54 CO 0.02 -0.39 -0.19 -0.31 0.00 0.00 0.00 175.10 174.23 1bar s TYR 55 N -2.32 2.47 -0.13 5.22 2.02 0.22 -1.85 117.35 122.98 1bar s TYR 55 Ca 0.20 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1bar s TYR 55 Cb -0.04 -1.29 0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1bar s TYR 55 CO 0.08 0.42 0.00 0.42 -1.57 0.00 0.00 175.55 174.90 1bar s ILE 56 N -1.31 0.58 0.01 2.71 1.01 -1.26 -1.38 121.20 121.57 1bar s ILE 56 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1bar s ILE 56 Cb -0.10 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1bar s ILE 56 CO 0.10 0.08 -0.05 -1.59 0.00 0.00 0.00 174.94 173.48 1bar s LYS 57 N 1.86 0.40 0.26 2.79 -2.85 -0.53 -0.53 119.74 121.14 1bar s LYS 57 Ca 0.02 -0.39 -0.31 0.00 -1.00 0.00 0.00 55.97 54.30 1bar s LYS 57 Cb -0.14 -0.28 -0.12 0.00 -2.06 0.00 0.00 37.83 35.22 1bar s LYS 57 CO -0.07 0.07 1.57 0.45 0.10 0.00 0.00 175.35 177.47 1bar n SER 58 N 2.37 3.56 0.08 0.03 2.88 -0.11 -1.37 113.62 121.05 1bar n SER 58 Ca -0.17 1.13 0.01 0.00 -1.33 0.00 0.00 58.87 58.51 1bar n SER 58 Cb 0.57 -1.54 -0.04 0.00 -0.75 0.00 0.00 64.21 62.45 1bar n SER 58 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1bar h THR 59 N 3.36 0.67 0.37 2.46 2.02 -1.77 -2.58 112.91 117.43 1bar h THR 59 Ca -0.46 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 64.60 1bar h THR 59 Cb 1.24 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1bar h THR 59 CO 0.81 0.38 -0.18 -0.08 0.37 0.00 0.00 175.52 176.83 1bar h GLU 60 N 0.00 -0.47 -0.00 6.66 4.57 -1.77 -3.34 114.58 120.23 1bar h GLU 60 Ca -0.09 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1bar h GLU 60 Cb 1.49 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 1bar h GLU 60 CO 0.06 -0.21 -0.69 0.25 -1.18 0.00 0.00 179.01 177.24 1bar n THR 61 N -5.11 0.00 -1.09 0.32 -2.24 -1.26 -4.99 114.28 99.91 1bar n THR 61 Ca -0.08 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 1bar n THR 61 Cb 0.25 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.34 0.60 3.86 3.38 0.00 -0.97 -4.95 105.19 108.44 1bar n GLY 62 Ca 0.03 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.52 1.38 0.10 1.61 -0.21 -1.26 -4.79 119.66 114.96 1bar s GLN 63 Ca 0.00 0.07 0.10 0.00 0.02 0.00 0.00 55.36 55.55 1bar s GLN 63 Cb 0.00 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 1bar s GLN 63 CO 0.00 -1.99 -0.26 -0.06 -2.12 0.00 0.00 175.29 170.86 1bar s PHE 64 N -3.52 2.33 0.45 0.91 0.08 0.62 -0.94 117.98 117.91 1bar s PHE 64 Ca 0.65 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 57.09 1bar s PHE 64 Cb -0.11 -1.30 -0.08 0.00 -0.57 0.00 0.00 43.02 40.96 1bar s PHE 64 CO 0.51 0.27 1.11 -1.17 -0.10 0.00 0.00 175.22 175.84 1bar s LEU 65 N -1.79 4.02 0.17 -0.37 2.96 0.31 -0.88 118.68 123.11 1bar s LEU 65 Ca 0.13 2.17 -0.23 0.00 -0.22 0.00 0.00 54.13 55.98 1bar s LEU 65 Cb -0.10 -4.27 0.06 0.00 0.50 0.00 0.00 46.19 42.38 1bar s LEU 65 CO 0.05 -0.78 0.67 0.00 -1.32 0.00 0.00 176.35 174.98 1bar s ALA 66 N -1.64 -1.53 -0.18 5.97 0.00 0.14 -4.14 121.76 120.38 1bar s ALA 66 Ca 0.62 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 1bar s ALA 66 Cb -0.25 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1bar s ALA 66 CO 0.30 -0.84 0.03 1.41 0.00 0.00 0.00 175.76 176.66 1bar s MET 67 N -3.71 0.66 0.18 0.00 1.75 -0.84 0.15 119.30 117.49 1bar s MET 67 Ca 0.04 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 1bar s MET 67 Cb -0.02 -2.03 0.00 0.00 2.84 0.00 0.00 34.83 35.62 1bar s MET 67 CO -0.07 -0.61 0.00 -0.25 -0.65 0.00 0.00 175.02 173.44 1bar n ASP 68 N 5.06 -0.72 -0.42 1.11 8.00 0.87 -4.74 116.55 125.70 1bar n ASP 68 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.53 1bar n ASP 68 Cb 0.47 -0.18 0.14 0.00 -0.02 0.00 0.00 41.12 41.54 1bar n ASP 68 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bar n THR 69 N -1.45 0.00 0.95 -3.53 -2.24 -1.26 -0.50 114.28 106.24 1bar n THR 69 Ca 0.00 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1bar n THR 69 Cb 0.00 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.21 1bar n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bar n ASP 70 N -0.20 0.75 -0.21 3.42 8.00 -1.26 -4.97 116.55 122.09 1bar n ASP 70 Ca 0.11 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1bar n ASP 70 Cb 0.43 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 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 1.48 0.98 3.34 0.44 0.00 0.34 -4.23 105.19 107.54 1bar n GLY 71 Ca 0.04 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.41 4.03 0.12 0.99 2.96 -1.25 0.37 118.68 125.48 1bar s LEU 72 Ca 0.00 -0.79 -0.35 0.00 -0.22 0.00 0.00 54.13 52.77 1bar s LEU 72 Cb 0.00 -1.90 -0.16 0.00 0.50 0.00 0.00 46.19 44.63 1bar s LEU 72 CO 0.00 -0.23 1.28 0.18 -1.32 0.00 0.00 176.35 176.26 1bar n LEU 73 N 4.88 1.61 -3.71 -0.68 4.32 -1.25 -0.09 117.00 122.08 1bar n LEU 73 Ca -0.14 1.13 -0.13 0.00 -0.02 0.00 0.00 56.01 56.85 1bar n LEU 73 Cb 0.47 -1.20 -0.07 0.00 -1.62 0.00 0.00 43.42 41.00 1bar n LEU 73 CO 0.32 -1.13 0.09 -0.72 -1.22 0.00 0.00 177.39 174.73 1bar s TYR 74 N 0.25 -0.21 -0.22 -1.77 -0.85 0.39 -4.32 117.35 110.62 1bar s TYR 74 Ca 0.80 0.18 -0.21 0.00 -0.52 0.00 0.00 57.07 57.33 1bar s TYR 74 Cb -0.92 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 41.56 1bar s TYR 74 CO 0.49 -0.51 0.65 0.20 -1.52 0.00 0.00 175.55 174.85 1bar s GLY 75 N -1.85 1.92 -0.08 5.49 0.00 -0.01 0.24 107.32 113.03 1bar s GLY 75 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1bar s GLY 75 CO -0.01 1.41 -0.08 -1.35 0.00 0.00 0.00 173.10 173.08 1bar s SER 76 N 1.33 4.55 0.29 1.64 1.04 -0.06 -4.62 113.70 117.87 1bar s SER 76 Ca 0.28 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 1bar s SER 76 Cb -0.16 -1.25 0.43 0.00 0.10 0.00 0.00 66.02 65.14 1bar s SER 76 CO 0.09 0.32 1.94 1.56 0.98 0.00 0.00 173.24 178.14 1bar h GLN 77 N 5.56 1.06 -5.77 4.02 1.08 -1.88 0.18 115.11 119.35 1bar h GLN 77 Ca -0.44 -0.09 -0.61 0.00 -1.45 0.00 0.00 58.65 56.06 1bar h GLN 77 Cb 1.18 -0.23 -0.31 0.00 -0.05 0.00 0.00 27.48 28.07 1bar h GLN 77 CO 0.54 0.73 -0.85 -0.08 -0.95 0.00 0.00 178.83 178.22 1bar s THR 78 N -5.82 1.64 0.56 -0.54 -1.32 -1.26 -4.78 115.64 104.12 1bar s THR 78 Ca -0.11 -0.86 -0.21 0.00 -1.21 0.00 0.00 61.69 59.29 1bar s THR 78 Cb 0.17 -1.38 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 1bar s THR 78 CO 0.80 0.47 1.33 -0.81 -2.21 0.00 0.00 174.62 174.19 1bar n PRO 79 N 2.84 1.60 -0.61 7.08 -0.04 -1.26 -4.94 135.00 139.67 1bar n PRO 79 Ca -0.17 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1bar n PRO 79 Cb 0.53 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1bar n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1bar n ASN 80 N -1.06 0.00 0.25 3.54 0.23 -1.26 -4.97 115.26 111.99 1bar n ASN 80 Ca 0.11 -0.59 0.18 0.00 -0.53 0.00 0.00 54.58 53.75 1bar n ASN 80 Cb 0.45 0.00 0.85 0.00 -2.08 0.00 0.00 39.78 39.00 1bar n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1bar h GLU 81 N 0.00 0.00 -0.02 -3.83 -0.00 -2.00 0.49 114.58 109.22 1bar h GLU 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1bar h GLU 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1bar h GLU 81 CO 0.00 0.00 -0.12 0.39 -0.00 0.00 0.00 179.01 179.28 1bar n GLU 82 N -3.32 1.95 0.00 1.06 1.02 -1.26 -3.93 120.64 116.15 1bar n GLU 82 Ca 0.01 -1.56 0.12 0.00 -0.02 0.00 0.00 57.16 55.71 1bar n GLU 82 Cb 0.38 -1.47 0.25 0.00 -0.02 0.00 0.00 31.44 30.58 1bar n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bar s LEU 84 N -2.74 4.50 -0.02 0.00 2.96 -1.25 -4.43 118.68 117.70 1bar s LEU 84 Ca 0.17 1.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 1bar s LEU 84 Cb 0.18 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1bar s LEU 84 CO 0.63 0.11 -0.04 -0.36 -1.32 0.00 0.00 176.35 175.37 1bar s PHE 85 N -0.52 0.52 0.59 5.38 0.08 -0.77 -1.47 117.98 121.78 1bar s PHE 85 Ca 0.36 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 57.13 1bar s PHE 85 Cb -0.21 -0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1bar s PHE 85 CO 0.23 -0.08 1.11 -1.17 -0.10 0.00 0.00 175.22 175.21 1bar s LEU 86 N 0.36 3.59 -0.18 -0.37 1.98 0.30 -1.55 118.68 122.80 1bar s LEU 86 Ca -0.04 2.06 -0.03 0.00 -2.89 0.00 0.00 54.13 53.23 1bar s LEU 86 Cb -0.08 -4.56 0.06 0.00 0.66 0.00 0.00 46.19 42.27 1bar s LEU 86 CO -0.00 -1.35 0.03 -0.70 -1.89 0.00 0.00 176.35 172.43 1bar s GLU 87 N -3.68 0.70 -0.02 1.98 2.12 0.09 0.58 118.70 120.48 1bar s GLU 87 Ca 0.69 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.65 1bar s GLU 87 Cb -0.21 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 1bar s GLU 87 CO 0.33 -0.60 -0.03 1.03 -0.54 0.00 0.00 175.26 175.45 1bar s ARG 88 N 1.85 2.72 -1.04 4.30 0.52 -0.58 -4.85 118.95 121.88 1bar s ARG 88 Ca -0.00 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1bar s ARG 88 Cb -0.17 -2.62 0.23 0.00 0.52 0.00 0.00 34.95 32.92 1bar s ARG 88 CO -0.08 0.63 1.08 -1.17 0.02 0.00 0.00 175.30 175.78 1bar s LEU 89 N -1.36 6.11 0.00 2.53 2.96 -1.26 -2.55 118.68 125.11 1bar s LEU 89 Ca 0.17 -3.11 -0.04 0.00 -0.22 0.00 0.00 54.13 50.94 1bar s LEU 89 Cb -0.11 -2.26 0.06 0.00 0.50 0.00 0.00 46.19 44.37 1bar s LEU 89 CO 0.08 -0.51 0.13 -0.62 -1.32 0.00 0.00 176.35 174.10 1bar n GLU 90 N 3.91 0.48 0.00 1.98 4.71 0.41 -4.94 120.64 127.18 1bar n GLU 90 Ca 0.23 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.16 56.98 1bar n GLU 90 Cb 0.43 -0.65 -0.14 0.00 -1.01 0.00 0.00 31.44 30.07 1bar n GLU 90 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1bar h GLU 91 N 0.00 0.19 0.00 3.49 3.07 -1.98 -3.08 114.58 116.27 1bar h GLU 91 Ca -0.06 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1bar h GLU 91 Cb 0.19 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1bar h GLU 91 CO 0.03 1.16 0.02 0.27 -1.40 0.00 0.00 179.01 179.09 1bar n ASN 92 N -4.23 0.00 0.00 1.42 0.23 -1.26 -4.66 115.26 106.76 1bar n ASN 92 Ca -0.17 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 1bar n ASN 92 Cb 0.74 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.99 0.51 3.88 4.83 0.00 -1.16 -5.08 105.19 107.18 1bar n GLY 93 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bar n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bar s TYR 94 N -2.22 3.45 0.62 1.61 1.51 -1.26 -4.79 117.35 116.27 1bar s TYR 94 Ca 0.00 0.79 -0.02 0.00 -1.01 0.00 0.00 57.07 56.82 1bar s TYR 94 Cb 0.00 -2.19 0.13 0.00 -0.11 0.00 0.00 41.96 39.79 1bar s TYR 94 CO 0.00 0.33 0.85 0.09 -1.11 0.00 0.00 175.55 175.72 1bar n ASN 95 N 0.02 0.91 -3.61 2.29 3.02 0.49 -0.45 115.26 117.93 1bar n ASN 95 Ca -0.01 -1.82 -0.01 0.00 -0.03 0.00 0.00 54.58 52.71 1bar n ASN 95 Cb 0.52 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 1bar n ASN 95 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1bar s THR 96 N -2.60 -0.83 -0.29 3.41 2.01 -1.06 -0.55 115.64 115.74 1bar s THR 96 Ca 0.55 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 1bar s THR 96 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1bar s THR 96 CO 0.37 0.00 0.14 -0.31 -0.69 0.00 0.00 174.62 174.13 1bar s TYR 97 N 2.71 3.16 -0.27 4.92 2.02 -1.26 -1.53 117.35 127.10 1bar s TYR 97 Ca -0.06 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 1bar s TYR 97 Cb -0.10 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 1bar s TYR 97 CO -0.19 -0.37 0.24 0.42 -1.57 0.00 0.00 175.55 174.08 1bar s ILE 98 N 1.65 5.28 0.06 2.71 1.01 0.20 -2.03 121.20 130.07 1bar s ILE 98 Ca 0.06 0.29 -0.37 0.00 0.00 0.00 0.00 60.65 60.63 1bar s ILE 98 Cb -0.16 -3.58 -0.17 0.00 0.01 0.00 0.00 42.46 38.56 1bar s ILE 98 CO 0.07 0.24 1.33 -0.24 0.00 0.00 0.00 174.94 176.33 1bar n SER 99 N 5.03 1.52 0.18 3.58 2.88 0.35 0.11 113.62 127.27 1bar n SER 99 Ca -0.12 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.46 1bar n SER 99 Cb 0.52 -1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 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 4.52 -0.50 -0.59 -1.46 3.64 -1.58 -0.62 116.57 119.98 1bar h LYS 100 Ca -0.48 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.11 1bar h LYS 100 Cb 1.34 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1bar h LYS 100 CO 0.77 -0.33 1.11 -0.22 -2.27 0.00 0.00 179.45 178.51 1bar h LYS 101 N -0.96 0.00 -0.71 1.90 3.64 -1.80 0.14 116.57 118.78 1bar h LYS 101 Ca -0.05 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.88 1bar h LYS 101 Cb 0.40 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.80 1bar h LYS 101 CO 0.09 0.00 -0.93 0.72 -2.27 0.00 0.00 179.45 177.06 1bar n HIS 102 N -2.94 2.25 0.13 1.91 8.25 -0.65 -4.73 115.22 119.44 1bar n HIS 102 Ca 0.13 -2.27 -0.01 0.00 -0.26 0.00 0.00 57.72 55.31 1bar n HIS 102 Cb 1.28 -0.29 0.21 0.00 1.12 0.00 0.00 29.99 32.32 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 2.38 1.07 -0.81 -1.41 0.00 0.54 -1.77 119.26 119.25 1bar h ALA 103 Ca 0.18 -0.48 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1bar h ALA 103 Cb 1.40 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1bar h ALA 103 CO 0.57 0.67 0.53 1.05 0.00 0.00 0.00 179.25 182.07 1bar h GLU 104 N 0.06 0.60 -0.52 0.00 4.11 -1.85 0.19 114.58 117.17 1bar h GLU 104 Ca -0.00 -0.04 -0.32 0.00 0.07 0.00 0.00 59.36 59.08 1bar h GLU 104 Cb 0.95 -0.13 -0.19 0.00 0.50 0.00 0.00 28.75 29.88 1bar h GLU 104 CO 0.07 0.39 -0.07 1.63 0.07 0.00 0.00 179.01 181.10 1bar n LYS 105 N -4.52 2.25 -3.63 1.06 4.01 -0.68 -4.97 118.16 111.67 1bar n LYS 105 Ca 0.15 -3.37 -0.23 0.00 -0.51 0.00 0.00 58.31 54.35 1bar n LYS 105 Cb 0.44 -1.97 0.00 0.00 -0.51 0.00 0.00 35.03 33.00 1bar n LYS 105 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1bar n HIS 106 N -1.04 -1.53 -3.35 2.13 8.25 0.66 -4.89 115.22 115.46 1bar n HIS 106 Ca 0.40 0.55 -0.45 0.00 -0.26 0.00 0.00 57.72 57.96 1bar n HIS 106 Cb 1.01 -2.20 -0.06 0.00 1.12 0.00 0.00 29.99 29.86 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 -2.97 3.24 0.40 4.41 0.52 -1.13 -4.70 118.94 118.71 1bar s TRP 107 Ca 0.07 -1.07 -0.01 0.00 0.02 0.00 0.00 56.10 55.11 1bar s TRP 107 Cb -0.04 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 28.81 1bar s TRP 107 CO 0.73 -0.90 0.63 -0.06 0.02 0.00 0.00 176.95 177.38 1bar s PHE 108 N 1.66 3.47 -0.26 -1.98 0.40 -1.26 -0.50 117.98 119.51 1bar s PHE 108 Ca 0.04 0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 56.59 1bar s PHE 108 Cb -0.26 -2.08 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 1bar s PHE 108 CO 0.05 -0.07 0.81 0.08 0.70 0.00 0.00 175.22 176.80 1bar s VAL 109 N -2.47 4.82 0.21 -0.44 1.01 -0.86 -4.56 120.40 118.10 1bar s VAL 109 Ca 0.43 1.44 -0.10 0.00 0.00 0.00 0.00 61.98 63.75 1bar s VAL 109 Cb -0.10 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1bar s VAL 109 CO 0.39 -0.13 0.36 -0.83 0.00 0.00 0.00 175.10 174.88 1bar s GLY 110 N 1.44 0.62 0.11 4.51 0.00 -1.26 -4.52 107.32 108.22 1bar s GLY 110 Ca 0.34 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 44.16 1bar s GLY 110 CO 0.09 -0.80 -0.19 1.08 0.00 0.00 0.00 173.10 173.29 1bar s LEU 111 N -3.01 2.34 0.64 0.66 1.02 -0.92 -0.28 118.68 119.13 1bar s LEU 111 Ca 0.22 -0.73 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1bar s LEU 111 Cb 0.02 -0.79 0.10 0.00 0.02 0.00 0.00 46.19 45.55 1bar s LEU 111 CO 0.06 -0.00 0.88 -0.54 0.02 0.00 0.00 176.35 176.77 1bar s LYS 112 N -2.16 2.02 0.42 1.70 1.02 0.31 -4.62 119.74 118.43 1bar s LYS 112 Ca 0.08 -1.34 0.10 0.00 0.02 0.00 0.00 55.97 54.82 1bar s LYS 112 Cb -0.09 -2.49 0.92 0.00 -0.52 0.00 0.00 37.83 35.65 1bar s LYS 112 CO 0.04 -1.13 2.02 0.87 -0.92 0.00 0.00 175.35 176.24 1bar h LYS 113 N -0.16 0.31 -0.51 1.68 1.57 -1.91 0.76 116.57 118.30 1bar h LYS 113 Ca -0.34 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1bar h LYS 113 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1bar h LYS 113 CO 0.41 0.29 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 1bar n ASN 114 N -4.41 1.57 0.00 0.86 0.23 -1.26 -4.52 115.26 107.73 1bar n ASN 114 Ca 0.00 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 1bar n ASN 114 Cb 0.14 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1bar n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bar n GLY 115 N 0.51 2.60 3.23 4.83 0.00 0.26 -4.97 105.19 111.65 1bar n GLY 115 Ca 0.07 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1bar n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bar n ARG 116 N 0.00 -0.93 -1.98 1.61 5.12 -1.26 -0.16 116.66 119.07 1bar n ARG 116 Ca 0.00 -0.25 -0.21 0.00 -1.93 0.00 0.00 57.85 55.46 1bar n ARG 116 Cb 0.00 -1.54 0.12 0.00 -1.16 0.00 0.00 32.46 29.88 1bar n ARG 116 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1bar n SER 117 N -0.22 0.73 -4.23 0.55 3.41 -1.26 -0.53 113.62 112.07 1bar n SER 117 Ca 0.01 -1.74 -0.32 0.00 -0.26 0.00 0.00 58.87 56.57 1bar n SER 117 Cb 0.63 -0.64 -0.17 0.00 -0.26 0.00 0.00 64.21 63.77 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 -4.90 2.90 0.35 4.33 2.20 0.62 -4.61 119.74 120.62 1bar s LYS 118 Ca 0.57 -0.88 -0.28 0.00 -0.36 0.00 0.00 55.97 55.02 1bar s LYS 118 Cb -0.03 -2.25 -0.11 0.00 -1.51 0.00 0.00 37.83 33.94 1bar s LYS 118 CO 0.39 0.23 1.49 -0.51 -0.36 0.00 0.00 175.35 176.59 1bar s LEU 119 N 0.21 4.33 0.20 5.43 1.43 -1.26 -4.56 118.68 124.46 1bar s LEU 119 Ca -0.15 3.00 -0.17 0.00 -1.03 0.00 0.00 54.13 55.78 1bar s LEU 119 Cb -0.17 -3.66 0.18 0.00 0.03 0.00 0.00 46.19 42.58 1bar s LEU 119 CO 0.08 -0.85 1.61 1.23 0.23 0.00 0.00 176.35 178.64 1bar h GLY 120 N 3.41 0.19 1.06 -3.19 0.00 -0.26 0.93 103.07 105.21 1bar h GLY 120 Ca -0.50 0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.25 1bar h GLY 120 CO 0.67 -0.23 0.38 -0.56 0.00 0.00 0.00 176.54 176.80 1bar h PRO 121 N -0.09 0.28 -0.61 4.80 0.14 -1.83 0.20 132.00 134.89 1bar h PRO 121 Ca 0.27 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 66.39 1bar h PRO 121 Cb 0.51 -0.06 0.00 0.00 0.14 0.00 0.00 31.00 31.59 1bar h PRO 121 CO -0.66 0.19 0.00 0.54 0.14 0.00 0.00 178.00 178.21 1bar n ARG 122 N -4.46 2.31 -3.33 0.86 5.12 0.32 -4.87 116.66 112.62 1bar n ARG 122 Ca 0.09 -1.29 -0.23 0.00 -1.93 0.00 0.00 57.85 54.49 1bar n ARG 122 Cb 0.41 -1.59 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1bar n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1bar s THR 123 N -1.69 4.82 -0.22 0.55 -4.23 0.69 -4.91 115.64 110.66 1bar s THR 123 Ca 0.23 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1bar s THR 123 Cb 0.15 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.31 1bar s THR 123 CO 0.10 -0.48 0.54 -2.28 -0.54 0.00 0.00 174.62 171.97 1bar s HIS 124 N -2.34 -0.81 1.00 3.99 2.46 -1.26 -4.76 115.29 113.56 1bar s HIS 124 Ca 0.42 1.68 -0.18 0.00 0.47 0.00 0.00 55.06 57.44 1bar s HIS 124 Cb -0.10 0.43 -0.14 0.00 -0.13 0.00 0.00 32.58 32.64 1bar s HIS 124 CO 0.36 -0.42 -0.81 0.34 -2.47 0.00 0.00 174.74 171.74 1bar n PHE 125 N 4.19 -4.28 -0.37 3.88 7.35 -1.26 -0.68 117.46 126.28 1bar n PHE 125 Ca -0.21 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1bar n PHE 125 Cb 0.57 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.94 1bar n PHE 125 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bar n GLY 126 N 3.31 1.32 3.87 7.13 0.00 -1.26 -5.01 105.19 114.54 1bar n GLY 126 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.17 3.40 0.00 1.61 -0.21 0.15 -4.96 119.66 119.48 1bar s GLN 127 Ca 0.00 0.71 0.25 0.00 0.02 0.00 0.00 55.36 56.34 1bar s GLN 127 Cb 0.00 -2.06 0.49 0.00 1.00 0.00 0.00 33.01 32.44 1bar s GLN 127 CO 0.00 -0.70 1.40 1.17 -2.12 0.00 0.00 175.29 175.04 1bar n LYS 128 N -2.83 0.44 -0.10 2.91 4.81 -1.26 -3.35 118.16 118.79 1bar n LYS 128 Ca 0.06 -0.28 0.09 0.00 -0.87 0.00 0.00 58.31 57.31 1bar n LYS 128 Cb 0.55 -1.49 0.32 0.00 0.02 0.00 0.00 35.03 34.42 1bar n LYS 128 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bar n ALA 129 N -1.03 2.50 -0.07 3.14 0.00 -1.26 -3.33 120.51 120.46 1bar n ALA 129 Ca 0.08 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 53.04 1bar n ALA 129 Cb 0.35 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.81 1bar n ALA 129 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bar n ILE 130 N 0.29 0.94 -3.75 0.00 -0.00 -1.21 -2.17 119.36 113.46 1bar n ILE 130 Ca 0.14 -0.97 -0.38 0.00 -0.00 0.00 0.00 62.75 61.55 1bar n ILE 130 Cb 0.30 0.54 -0.12 0.00 -0.00 0.00 0.00 39.64 40.35 1bar n ILE 130 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1bar s LEU 131 N -0.97 4.10 0.21 1.39 1.02 -1.21 -4.37 118.68 118.84 1bar s LEU 131 Ca 0.12 -0.92 0.08 0.00 0.02 0.00 0.00 54.13 53.42 1bar s LEU 131 Cb 0.06 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1bar s LEU 131 CO 0.08 -0.26 0.03 -0.36 0.02 0.00 0.00 176.35 175.86 1bar s PHE 132 N 1.46 2.86 -0.29 0.29 0.40 0.29 -1.00 117.98 121.99 1bar s PHE 132 Ca 0.01 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1bar s PHE 132 Cb -0.18 -1.34 0.08 0.00 0.51 0.00 0.00 43.02 42.09 1bar s PHE 132 CO 0.03 0.54 0.03 -1.17 0.70 0.00 0.00 175.22 175.35 1bar s LEU 133 N -3.25 3.00 0.02 -0.37 2.96 -0.73 -0.38 118.68 119.94 1bar s LEU 133 Ca 0.29 -1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 1bar s LEU 133 Cb -0.08 -1.18 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 1bar s LEU 133 CO 0.20 -0.34 1.44 -2.84 -1.32 0.00 0.00 176.35 173.49 1bar s PRO 134 N 1.35 4.27 0.17 0.98 0.02 -1.26 -1.82 135.00 138.71 1bar s PRO 134 Ca 0.04 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.17 1bar s PRO 134 Cb -0.18 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.74 1bar s PRO 134 CO -0.13 -0.59 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.39 1bar s LEU 135 N 2.34 3.14 0.90 -5.54 1.43 0.33 -4.94 118.68 116.34 1bar s LEU 135 Ca 0.65 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1bar s LEU 135 Cb -0.33 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.19 1bar s LEU 135 CO 0.28 0.11 1.10 -0.81 0.23 0.00 0.00 176.35 177.25 1bar n PRO 136 N 0.05 -0.35 0.00 1.29 -0.04 -1.26 -0.20 135.00 134.49 1bar n PRO 136 Ca -0.11 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1bar n PRO 136 Cb 0.55 -2.35 0.15 0.00 -0.04 0.00 0.00 33.50 31.81 1bar n PRO 136 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01