#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1c s PHE 2 N 0.00 0.45 -0.29 9.51 0.40 -1.26 -5.02 117.98 121.77 1v1c s PHE 2 Ca 0.00 0.81 0.03 0.00 -0.60 0.00 0.00 56.93 57.17 1v1c s PHE 2 Cb 0.00 -3.06 0.08 0.00 0.51 0.00 0.00 43.02 40.55 1v1c s PHE 2 CO 0.00 -4.32 -0.02 -0.51 0.70 0.00 0.00 175.22 171.07 1v1c s ASP 3 N -3.01 4.42 -0.36 1.36 1.11 -1.26 -4.94 116.67 113.99 1v1c s ASP 3 Ca 0.69 -1.67 -0.25 0.00 0.18 0.00 0.00 52.55 51.49 1v1c s ASP 3 Cb -0.18 -1.45 0.01 0.00 1.07 0.00 0.00 42.92 42.38 1v1c s ASP 3 CO 0.60 -0.29 0.88 -0.63 1.18 0.00 0.00 175.17 176.91 1v1c s ILE 4 N 1.13 4.64 0.00 0.77 1.01 -1.26 -1.41 121.20 126.08 1v1c s ILE 4 Ca 0.01 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.68 1v1c s ILE 4 Cb -0.19 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1v1c s ILE 4 CO -0.08 -0.48 0.36 -0.31 0.00 0.00 0.00 174.94 174.43 1v1c s TYR 5 N 3.33 3.67 -0.17 3.97 1.51 -0.52 -3.44 117.35 125.70 1v1c s TYR 5 Ca 0.36 0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 57.20 1v1c s TYR 5 Cb -0.12 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1v1c s TYR 5 CO 0.17 0.63 0.09 0.54 -1.11 0.00 0.00 175.55 175.87 1v1c s VAL 6 N -1.16 5.09 -0.40 0.71 0.11 -1.12 -2.89 120.40 120.73 1v1c s VAL 6 Ca 0.25 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 1v1c s VAL 6 Cb -0.15 -3.27 0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1v1c s VAL 6 CO 0.13 0.50 0.86 -0.69 -3.33 0.00 0.00 175.10 172.58 1v1c s VAL 7 N -0.04 4.61 -0.14 2.04 1.01 -1.08 -3.61 120.40 123.19 1v1c s VAL 7 Ca 0.08 0.89 0.18 0.00 0.00 0.00 0.00 61.98 63.13 1v1c s VAL 7 Cb -0.12 -4.32 0.33 0.00 0.00 0.00 0.00 36.38 32.28 1v1c s VAL 7 CO 0.00 -0.60 1.20 0.35 0.00 0.00 0.00 175.10 176.05 1v1c n THR 8 N 6.05 1.98 -0.87 3.92 -2.24 -1.26 -0.06 114.28 121.80 1v1c n THR 8 Ca 0.05 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1v1c n THR 8 Cb 0.48 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1v1c n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v1c n ALA 9 N -1.29 1.13 -1.28 6.98 0.00 -1.26 -5.04 120.51 119.74 1v1c n ALA 9 Ca 0.17 -0.56 0.16 0.00 0.00 0.00 0.00 53.44 53.21 1v1c n ALA 9 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 1v1c n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1v1c n ASP 10 N -0.07 -7.13 -3.16 0.00 2.03 -1.26 -4.97 116.55 101.99 1v1c n ASP 10 Ca 0.00 1.22 0.02 0.00 0.52 0.00 0.00 54.79 56.55 1v1c n ASP 10 Cb 0.47 -4.37 -0.01 0.00 -0.72 0.00 0.00 41.12 36.49 1v1c n ASP 10 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1v1c s TYR 11 N -3.94 -1.63 -0.30 -0.67 5.04 -1.26 -4.86 117.35 109.73 1v1c s TYR 11 Ca 0.00 0.49 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 1v1c s TYR 11 Cb 0.00 0.29 0.07 0.00 0.35 0.00 0.00 41.96 42.67 1v1c s TYR 11 CO 0.00 -1.05 -0.02 -1.17 -1.34 0.00 0.00 175.55 171.97 1v1c s LEU 12 N 2.19 3.97 0.47 6.97 2.96 -1.26 -3.21 118.68 130.78 1v1c s LEU 12 Ca 0.15 -1.51 -0.24 0.00 -0.22 0.00 0.00 54.13 52.31 1v1c s LEU 12 Cb -0.05 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 1v1c s LEU 12 CO -0.14 -0.28 1.29 -2.65 -1.32 0.00 0.00 176.35 173.25 1v1c n PRO 13 N 4.50 1.83 -2.88 0.98 -0.02 -1.26 -4.93 135.00 133.23 1v1c n PRO 13 Ca -0.10 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1v1c n PRO 13 Cb 0.42 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1v1c n PRO 13 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1v1c s LEU 14 N -2.28 4.62 0.00 2.45 1.43 -1.26 -4.91 118.68 118.73 1v1c s LEU 14 Ca 0.65 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1v1c s LEU 14 Cb -0.47 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1v1c s LEU 14 CO 0.55 -1.29 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1v1c n GLY 15 N 5.47 1.25 3.55 -3.19 0.00 -1.26 -4.60 105.19 106.40 1v1c n GLY 15 Ca 0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1v1c n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v1c s ALA 16 N -2.00 3.41 -0.10 4.61 0.00 -1.26 -5.04 121.76 121.37 1v1c s ALA 16 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1v1c s ALA 16 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1v1c s ALA 16 CO 0.00 -1.52 -0.23 -2.00 0.00 0.00 0.00 175.76 172.00 1v1c s GLU 17 N 2.74 3.01 0.29 0.00 2.56 -1.26 -5.13 118.70 120.91 1v1c s GLU 17 Ca 0.23 -0.86 -0.14 0.00 0.00 0.00 0.00 54.97 54.20 1v1c s GLU 17 Cb -0.14 -2.29 -0.09 0.00 2.00 0.00 0.00 34.13 33.61 1v1c s GLU 17 CO 0.17 0.15 0.69 -0.65 -0.56 0.00 0.00 175.26 175.06 1v1c s GLN 18 N 0.41 3.97 -1.97 4.30 1.11 -1.26 -3.90 119.66 122.32 1v1c s GLN 18 Ca -0.17 0.59 0.00 0.00 0.01 0.00 0.00 55.36 55.79 1v1c s GLN 18 Cb -0.18 -2.51 0.00 0.00 -1.01 0.00 0.00 33.01 29.32 1v1c s GLN 18 CO 0.07 0.21 0.00 -0.25 0.01 0.00 0.00 175.29 175.33 1v1c n ASP 19 N -0.24 -5.52 -4.39 5.90 9.92 -1.26 -4.97 116.55 115.99 1v1c n ASP 19 Ca 0.02 0.31 -0.22 0.00 -0.53 0.00 0.00 54.79 54.38 1v1c n ASP 19 Cb 0.53 -4.69 -0.10 0.00 -0.64 0.00 0.00 41.12 36.22 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v1c s ALA 20 N -2.83 2.32 -0.03 2.24 0.00 -1.25 -3.24 121.76 118.97 1v1c s ALA 20 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1v1c s ALA 20 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1v1c s ALA 20 CO 0.00 0.19 -0.04 -1.50 0.00 0.00 0.00 175.76 174.42 1v1c s ILE 21 N -2.57 0.39 0.32 0.00 2.07 -1.26 -4.82 121.20 115.33 1v1c s ILE 21 Ca 0.24 -0.10 -0.29 0.00 -1.41 0.00 0.00 60.65 59.09 1v1c s ILE 21 Cb -0.04 -0.40 -0.12 0.00 0.13 0.00 0.00 42.46 42.03 1v1c s ILE 21 CO 0.10 0.16 1.50 1.07 -1.91 0.00 0.00 174.94 175.87 1v1c n THR 22 N 3.66 1.45 -4.04 4.00 5.66 -1.26 -4.95 114.28 118.81 1v1c n THR 22 Ca -0.21 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.32 1v1c n THR 22 Cb 0.53 -1.86 -0.07 0.00 -1.55 0.00 0.00 70.33 67.38 1v1c n THR 22 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1v1c s LEU 23 N -0.97 0.76 0.05 1.09 1.43 -1.20 -5.13 118.68 114.72 1v1c s LEU 23 Ca 0.60 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1v1c s LEU 23 Cb -0.52 1.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.87 1v1c s LEU 23 CO 0.55 -0.98 -0.03 -0.13 0.23 0.00 0.00 176.35 175.99 1v1c s ARG 24 N -4.04 0.60 -0.59 1.70 0.52 -1.26 -4.15 118.95 111.74 1v1c s ARG 24 Ca 0.25 -1.19 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 1v1c s ARG 24 Cb 0.03 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.68 1v1c s ARG 24 CO 0.07 -0.10 1.70 -2.00 0.02 0.00 0.00 175.30 174.99 1v1c s GLU 25 N -3.79 2.88 0.00 3.54 2.12 -1.26 -2.79 118.70 119.40 1v1c s GLU 25 Ca 0.06 0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1v1c s GLU 25 Cb 0.07 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 30.16 1v1c s GLU 25 CO -0.09 -2.44 0.00 0.41 -0.54 0.00 0.00 175.26 172.60 1v1c n GLY 26 N 5.56 0.88 3.92 -1.50 0.00 0.92 -4.93 105.19 110.03 1v1c n GLY 26 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1v1c n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v1c s GLN 27 N 0.00 3.33 -0.04 1.61 -1.52 -1.12 -4.91 119.66 117.01 1v1c s GLN 27 Ca 0.00 -0.68 0.07 0.00 -1.95 0.00 0.00 55.36 52.80 1v1c s GLN 27 Cb 0.00 -2.89 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1v1c s GLN 27 CO 0.00 0.50 -0.24 0.71 -0.25 0.00 0.00 175.29 176.01 1v1c s TYR 28 N -1.78 2.43 -0.27 0.91 2.02 -1.26 -2.63 117.35 116.76 1v1c s TYR 28 Ca 0.34 -0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.43 1v1c s TYR 28 Cb -0.11 -1.56 0.10 0.00 -0.40 0.00 0.00 41.96 40.00 1v1c s TYR 28 CO 0.28 -0.06 0.62 0.54 -1.57 0.00 0.00 175.55 175.35 1v1c s VAL 29 N -0.47 -0.57 0.56 0.71 0.11 -1.14 -4.35 120.40 115.25 1v1c s VAL 29 Ca 0.06 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 1v1c s VAL 29 Cb -0.11 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1v1c s VAL 29 CO 0.01 0.01 1.04 -1.83 -3.33 0.00 0.00 175.10 171.00 1v1c s GLU 30 N 2.35 3.52 -0.08 1.54 -1.05 -1.25 -1.44 118.70 122.30 1v1c s GLU 30 Ca -0.07 1.21 -0.13 0.00 -0.15 0.00 0.00 54.97 55.83 1v1c s GLU 30 Cb -0.09 -2.06 -0.05 0.00 -0.44 0.00 0.00 34.13 31.48 1v1c s GLU 30 CO -0.18 -0.65 0.33 0.54 0.95 0.00 0.00 175.26 176.26 1v1c s VAL 31 N -2.35 5.21 -0.22 1.83 0.11 -0.50 -1.85 120.40 122.61 1v1c s VAL 31 Ca 0.64 0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 60.17 1v1c s VAL 31 Cb -0.15 -3.64 -0.14 0.00 -1.53 0.00 0.00 36.38 30.92 1v1c s VAL 31 CO 0.32 0.51 -0.06 0.18 -3.33 0.00 0.00 175.10 172.72 1v1c n LEU 32 N 2.51 1.89 -4.25 2.54 4.77 0.05 -4.39 117.00 120.13 1v1c n LEU 32 Ca -0.14 0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 1v1c n LEU 32 Cb 0.53 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1v1c n LEU 32 CO 0.37 0.23 -0.19 -1.81 -1.33 0.00 0.00 177.39 174.67 1v1c s ASP 33 N -6.84 0.89 0.01 -1.43 1.01 -0.96 -5.02 116.67 104.32 1v1c s ASP 33 Ca -0.30 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 51.42 1v1c s ASP 33 Cb 0.08 0.44 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1v1c s ASP 33 CO 0.50 -0.92 0.00 0.00 0.21 0.00 0.00 175.17 174.96 1v1c n ALA 34 N -0.44 3.00 -0.97 5.23 0.00 -1.26 -1.37 120.51 124.71 1v1c n ALA 34 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1v1c n ALA 34 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1v1c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1c n ALA 35 N -2.58 0.00 -2.60 0.00 0.00 -1.26 -4.45 120.51 109.62 1v1c n ALA 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1v1c n ALA 35 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1v1c n ALA 35 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1v1c s HIS 36 N 0.00 3.23 0.58 0.00 3.76 -1.26 -4.94 115.29 116.66 1v1c s HIS 36 Ca 0.00 0.59 0.28 0.00 -0.15 0.00 0.00 55.06 55.78 1v1c s HIS 36 Cb 0.00 -2.91 1.54 0.00 1.11 0.00 0.00 32.58 32.32 1v1c s HIS 36 CO 0.00 -0.42 1.99 -1.35 -0.85 0.00 0.00 174.74 174.11 1v1c h PRO 37 N 8.14 0.00 -0.46 8.40 0.11 -2.03 -1.52 132.00 144.64 1v1c h PRO 37 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1v1c h PRO 37 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1v1c h PRO 37 CO 0.78 0.00 0.24 -0.07 -0.21 0.00 0.00 178.00 178.74 1v1c h LEU 38 N 0.00 0.58 -7.41 2.35 3.38 -1.92 -3.44 115.31 108.84 1v1c h LEU 38 Ca 0.17 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1v1c h LEU 38 Cb 0.88 -0.15 -0.30 0.00 0.09 0.00 0.00 40.66 41.18 1v1c h LEU 38 CO -0.00 0.52 -0.54 0.00 0.09 0.00 0.00 178.44 178.51 1v1c s ARG 39 N -5.81 0.16 0.01 1.13 1.70 -0.57 -4.39 118.95 111.19 1v1c s ARG 39 Ca -0.13 0.42 0.01 0.00 -0.47 0.00 0.00 55.73 55.56 1v1c s ARG 39 Cb 0.11 -0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 1v1c s ARG 39 CO 0.75 -0.14 0.03 -1.58 -1.08 0.00 0.00 175.30 173.28 1v1c s TRP 40 N 1.04 3.15 0.04 5.89 0.51 -1.15 -4.20 118.94 124.22 1v1c s TRP 40 Ca -0.08 0.11 -0.30 0.00 -2.12 0.00 0.00 56.10 53.72 1v1c s TRP 40 Cb -0.09 -1.67 -0.04 0.00 -0.81 0.00 0.00 33.47 30.85 1v1c s TRP 40 CO -0.06 0.50 0.96 -1.17 -0.51 0.00 0.00 176.95 176.67 1v1c s LEU 41 N -1.77 4.42 0.11 2.99 2.96 -0.47 -2.99 118.68 123.94 1v1c s LEU 41 Ca 0.22 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.84 1v1c s LEU 41 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1v1c s LEU 41 CO 0.13 -0.17 -0.05 0.68 -1.32 0.00 0.00 176.35 175.62 1v1c s VAL 42 N 0.57 0.67 -0.16 1.68 -7.23 -1.06 -0.77 120.40 114.10 1v1c s VAL 42 Ca 0.49 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1v1c s VAL 42 Cb -0.22 -1.78 0.05 0.00 0.56 0.00 0.00 36.38 35.00 1v1c s VAL 42 CO 0.28 -0.79 0.05 -0.60 -0.31 0.00 0.00 175.10 173.74 1v1c s ARG 43 N -3.86 0.38 0.83 4.82 3.52 -0.77 -1.97 118.95 121.90 1v1c s ARG 43 Ca 0.14 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.45 1v1c s ARG 43 Cb 0.05 -1.76 0.10 0.00 -1.56 0.00 0.00 34.95 31.78 1v1c s ARG 43 CO -0.03 -0.59 1.16 0.95 -0.81 0.00 0.00 175.30 175.98 1v1c s THR 44 N 2.00 2.36 -0.10 4.11 -4.23 -0.53 -3.83 115.64 115.41 1v1c s THR 44 Ca 0.01 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.42 1v1c s THR 44 Cb -0.16 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1v1c s THR 44 CO -0.08 -0.14 0.71 -0.54 -0.54 0.00 0.00 174.62 174.04 1v1c s LYS 45 N -4.47 4.38 0.49 3.99 1.02 -1.26 -4.20 119.74 119.69 1v1c s LYS 45 Ca 0.68 0.86 -0.20 0.00 0.02 0.00 0.00 55.97 57.33 1v1c s LYS 45 Cb -0.24 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.50 1v1c s LYS 45 CO 0.54 -0.05 1.04 -1.25 -0.92 0.00 0.00 175.35 174.71 1v1c s PRO 46 N 1.19 3.79 0.00 -1.68 0.04 -1.26 -4.90 135.00 132.18 1v1c s PRO 46 Ca 0.36 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1v1c s PRO 46 Cb -0.17 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1v1c s PRO 46 CO 0.16 -0.44 0.00 0.25 0.04 0.00 0.00 177.00 177.01 1v1c n THR 47 N -1.01 0.00 1.66 1.26 -2.24 -0.10 -4.96 114.28 108.89 1v1c n THR 47 Ca 0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1v1c n THR 47 Cb 0.53 -0.79 0.51 0.00 -2.10 0.00 0.00 70.33 68.48 1v1c n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1v1c n LYS 48 N 0.00 0.83 0.00 -0.78 4.76 -1.26 -4.08 118.16 117.63 1v1c n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1v1c n LYS 48 Cb 0.00 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1v1c n LYS 48 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1v1c n SER 49 N -0.83 0.00 -4.60 4.39 7.64 -1.26 -5.08 113.62 113.88 1v1c n SER 49 Ca 0.13 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1v1c n SER 49 Cb 0.06 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1v1c n SER 49 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v1c s SER 50 N -1.04 6.68 0.77 6.43 0.15 -1.26 -5.03 113.70 120.40 1v1c s SER 50 Ca 0.00 0.59 -0.12 0.00 0.70 0.00 0.00 55.95 57.11 1v1c s SER 50 Cb 0.00 -2.46 0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1v1c s SER 50 CO 0.00 -0.86 1.13 -2.16 1.20 0.00 0.00 173.24 172.56 1v1c s PRO 51 N 3.47 2.03 -0.06 5.44 0.04 -1.26 -0.92 135.00 143.74 1v1c s PRO 51 Ca 0.38 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1v1c s PRO 51 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1v1c s PRO 51 CO 0.19 -1.85 1.36 0.45 0.04 0.00 0.00 177.00 177.18 1v1c s SER 52 N -2.74 6.89 0.01 6.66 0.15 -1.26 -4.66 113.70 118.75 1v1c s SER 52 Ca 0.67 1.95 0.03 0.00 0.70 0.00 0.00 55.95 59.30 1v1c s SER 52 Cb -0.22 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1v1c s SER 52 CO 0.51 -0.73 -0.03 -0.13 1.20 0.00 0.00 173.24 174.06 1v1c s ARG 53 N 2.89 2.64 -0.11 5.44 1.81 -1.26 -4.98 118.95 125.38 1v1c s ARG 53 Ca 0.61 -0.69 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 1v1c s ARG 53 Cb -0.28 -2.57 0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1v1c s ARG 53 CO 0.23 0.60 -0.19 -1.14 -0.68 0.00 0.00 175.30 174.12 1v1c s GLN 54 N -1.58 2.61 0.15 3.54 0.74 -1.26 -1.46 119.66 122.40 1v1c s GLN 54 Ca 0.19 -0.71 -0.14 0.00 0.05 0.00 0.00 55.36 54.75 1v1c s GLN 54 Cb -0.11 -2.09 0.02 0.00 1.10 0.00 0.00 33.01 31.92 1v1c s GLN 54 CO 0.10 0.03 0.38 0.20 -0.55 0.00 0.00 175.29 175.45 1v1c s GLY 55 N 0.71 0.01 0.04 2.59 0.00 -0.83 -4.96 107.32 104.87 1v1c s GLY 55 Ca -0.11 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 1v1c s GLY 55 CO 0.02 -0.49 0.55 -0.98 0.00 0.00 0.00 173.10 172.20 1v1c s TRP 56 N -3.87 3.76 0.28 1.90 0.52 -1.20 -2.56 118.94 117.77 1v1c s TRP 56 Ca 0.09 1.20 0.02 0.00 0.02 0.00 0.00 56.10 57.43 1v1c s TRP 56 Cb 0.02 -2.49 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 1v1c s TRP 56 CO -0.06 0.53 0.12 0.14 0.02 0.00 0.00 176.95 177.70 1v1c s VAL 57 N -0.84 0.49 -0.41 4.03 -7.23 -1.16 -4.19 120.40 111.09 1v1c s VAL 57 Ca 0.28 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 1v1c s VAL 57 Cb -0.19 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1v1c s VAL 57 CO 0.17 0.00 0.54 -0.94 -0.31 0.00 0.00 175.10 174.56 1v1c s SER 58 N -3.35 6.27 0.00 4.85 1.04 -1.26 -2.93 113.70 118.31 1v1c s SER 58 Ca 0.36 -0.39 0.16 0.00 0.48 0.00 0.00 55.95 56.56 1v1c s SER 58 Cb 0.07 -2.27 0.88 0.00 0.10 0.00 0.00 66.02 64.79 1v1c s SER 58 CO 0.15 -0.64 1.43 -0.81 0.98 0.00 0.00 173.24 174.36 1v1c n PRO 59 N 5.90 0.35 0.00 4.02 -0.04 -1.26 -2.72 135.00 141.24 1v1c n PRO 59 Ca -0.04 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1v1c n PRO 59 Cb 0.48 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.05 1v1c n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v1c n ALA 60 N -1.17 2.23 -1.00 0.55 0.00 -1.26 -2.70 120.51 117.16 1v1c n ALA 60 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1v1c n ALA 60 Cb 0.10 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1v1c n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1v1c n TYR 61 N -1.17 0.00 -4.48 0.00 4.01 -1.10 -5.07 117.16 109.36 1v1c n TYR 61 Ca 0.13 -0.24 -0.32 0.00 -0.16 0.00 0.00 57.90 57.31 1v1c n TYR 61 Cb 0.14 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.02 1v1c n TYR 61 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1v1c s LEU 62 N -0.60 3.18 -0.14 7.72 1.02 -1.10 -4.33 118.68 124.43 1v1c s LEU 62 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1v1c s LEU 62 Cb 0.04 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.44 1v1c s LEU 62 CO 0.00 0.29 -0.15 -1.81 0.02 0.00 0.00 176.35 174.70 1v1c s ASP 63 N -1.34 3.71 0.09 2.29 1.11 -1.24 -4.97 116.67 116.32 1v1c s ASP 63 Ca 0.16 -0.44 -0.31 0.00 0.18 0.00 0.00 52.55 52.15 1v1c s ASP 63 Cb -0.11 -1.56 -0.06 0.00 1.07 0.00 0.00 42.92 42.25 1v1c s ASP 63 CO 0.07 0.12 1.21 -0.60 1.18 0.00 0.00 175.17 177.14 1v1c s ARG 64 N 0.63 4.44 -0.02 8.23 3.52 -1.26 -2.80 118.95 131.68 1v1c s ARG 64 Ca -0.08 1.81 -0.03 0.00 -0.13 0.00 0.00 55.73 57.29 1v1c s ARG 64 Cb -0.16 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1v1c s ARG 64 CO 0.03 -0.24 0.08 1.03 -0.81 0.00 0.00 175.30 175.39 1v1c s ARG 65 N 0.84 0.14 -0.20 5.12 0.52 -1.22 -5.02 118.95 119.13 1v1c s ARG 65 Ca 0.58 0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 1v1c s ARG 65 Cb -0.30 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.22 1v1c s ARG 65 CO 0.30 -0.02 -0.08 -0.51 0.02 0.00 0.00 175.30 175.02 1v1c s LEU 66 N -0.17 2.79 -0.36 2.53 1.43 -1.26 -4.04 118.68 119.60 1v1c s LEU 66 Ca -0.02 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1v1c s LEU 66 Cb -0.02 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1v1c s LEU 66 CO 0.00 0.02 0.20 -0.54 0.23 0.00 0.00 176.35 176.26 1v1c s LYS 67 N 1.22 2.99 0.00 1.70 1.02 -1.26 -5.16 119.74 120.24 1v1c s LYS 67 Ca 0.02 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1v1c s LYS 67 Cb -0.14 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1v1c s LYS 67 CO -0.03 -0.62 0.00 1.47 -0.92 0.00 0.00 175.35 175.25