#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1c n PHE 2 N 0.00 -3.40 -4.00 1.39 3.72 -1.26 -5.04 117.46 108.87 1v1c n PHE 2 Ca 0.00 -0.45 -0.31 0.00 -0.05 0.00 0.00 57.45 56.64 1v1c n PHE 2 Cb 0.00 -0.52 -0.15 0.00 -0.94 0.00 0.00 39.48 37.87 1v1c n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1v1c s ASP 3 N -2.84 4.37 -0.35 4.37 -1.08 -1.26 -4.71 116.67 115.17 1v1c s ASP 3 Ca 0.32 -1.57 -0.25 0.00 -0.52 0.00 0.00 52.55 50.53 1v1c s ASP 3 Cb -0.03 -1.44 0.01 0.00 -1.46 0.00 0.00 42.92 40.00 1v1c s ASP 3 CO 0.25 -0.27 0.90 -0.63 0.52 0.00 0.00 175.17 175.94 1v1c s ILE 4 N 1.15 4.63 -0.02 4.11 1.01 -1.25 -1.33 121.20 129.50 1v1c s ILE 4 Ca -0.02 1.23 -0.13 0.00 0.00 0.00 0.00 60.65 61.73 1v1c s ILE 4 Cb -0.19 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1v1c s ILE 4 CO -0.07 -0.47 0.36 -0.31 0.00 0.00 0.00 174.94 174.45 1v1c s TYR 5 N 3.36 3.70 -0.14 3.97 1.51 -0.46 -3.94 117.35 125.34 1v1c s TYR 5 Ca 0.37 0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 57.26 1v1c s TYR 5 Cb -0.12 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1v1c s TYR 5 CO 0.17 0.65 0.11 0.54 -1.11 0.00 0.00 175.55 175.91 1v1c s VAL 6 N -1.09 5.20 -0.43 0.71 0.11 -1.23 -2.82 120.40 120.85 1v1c s VAL 6 Ca 0.23 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.14 1v1c s VAL 6 Cb -0.16 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1v1c s VAL 6 CO 0.12 0.55 0.84 -0.69 -3.33 0.00 0.00 175.10 172.59 1v1c s VAL 7 N -0.44 4.60 -0.11 2.04 1.01 -1.03 -3.32 120.40 123.14 1v1c s VAL 7 Ca 0.11 0.68 0.13 0.00 0.00 0.00 0.00 61.98 62.91 1v1c s VAL 7 Cb -0.12 -4.34 0.22 0.00 0.00 0.00 0.00 36.38 32.14 1v1c s VAL 7 CO 0.02 -0.69 1.12 0.35 0.00 0.00 0.00 175.10 175.89 1v1c n THR 8 N 6.16 1.64 -0.19 3.92 -2.24 -1.26 -0.22 114.28 122.10 1v1c n THR 8 Ca 0.04 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1v1c n THR 8 Cb 0.48 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.11 1.43 -2.58 6.98 0.00 -1.26 -5.04 120.51 118.93 1v1c n ALA 9 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1v1c n ALA 9 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.31 -1.97 -4.35 0.00 2.03 -1.26 -4.92 116.55 105.78 1v1c n ASP 10 Ca 0.00 1.32 -0.46 0.00 0.52 0.00 0.00 54.79 56.17 1v1c n ASP 10 Cb 0.05 -5.15 -0.02 0.00 -0.72 0.00 0.00 41.12 35.27 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 -0.85 3.65 -0.34 -0.67 6.14 -0.18 -4.87 117.35 120.22 1v1c s TYR 11 Ca -0.22 -1.88 -0.01 0.00 0.64 0.00 0.00 57.07 55.60 1v1c s TYR 11 Cb 0.01 -3.90 0.08 0.00 0.42 0.00 0.00 41.96 38.58 1v1c s TYR 11 CO 0.77 -1.08 0.07 -1.17 0.64 0.00 0.00 175.55 174.78 1v1c s LEU 12 N 0.61 4.48 0.65 6.97 0.20 -1.26 -1.83 118.68 128.51 1v1c s LEU 12 Ca 0.20 -1.71 -0.18 0.00 0.69 0.00 0.00 54.13 53.13 1v1c s LEU 12 Cb -0.10 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1v1c s LEU 12 CO -0.09 -0.37 1.25 -2.65 -0.29 0.00 0.00 176.35 174.20 1v1c n PRO 13 N 4.52 1.04 -4.00 0.98 -0.02 -1.26 -5.00 135.00 131.26 1v1c n PRO 13 Ca -0.06 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1v1c n PRO 13 Cb 0.42 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 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 -4.15 4.66 0.00 2.45 1.02 -1.26 -4.98 118.68 116.43 1v1c s LEU 14 Ca 0.82 -2.38 0.00 0.00 0.02 0.00 0.00 54.13 52.59 1v1c s LEU 14 Cb -0.38 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1v1c s LEU 14 CO 0.41 -0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.05 1v1c n GLY 15 N 3.96 0.70 3.32 -3.19 0.00 -1.26 -4.99 105.19 103.73 1v1c n GLY 15 Ca 0.04 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 2.66 0.11 4.61 0.00 -1.26 -5.10 121.76 120.78 1v1c s ALA 16 Ca 0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 1v1c s ALA 16 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.67 1v1c s ALA 16 CO 0.00 -0.05 0.86 -1.21 0.00 0.00 0.00 175.76 175.36 1v1c s GLU 17 N 0.84 4.63 -0.45 0.00 8.01 -1.26 -5.03 118.70 125.44 1v1c s GLU 17 Ca -0.03 1.27 -0.04 0.00 0.01 0.00 0.00 54.97 56.18 1v1c s GLU 17 Cb -0.15 -3.34 0.12 0.00 -4.31 0.00 0.00 34.13 26.45 1v1c s GLU 17 CO 0.01 0.33 0.26 -0.65 0.01 0.00 0.00 175.26 175.22 1v1c s GLN 18 N -0.35 2.16 -1.77 1.61 -0.21 -1.26 -4.64 119.66 115.20 1v1c s GLN 18 Ca 0.41 -1.89 0.00 0.00 0.02 0.00 0.00 55.36 53.90 1v1c s GLN 18 Cb -0.23 -3.67 0.00 0.00 1.00 0.00 0.00 33.01 30.11 1v1c s GLN 18 CO 0.27 -1.11 0.00 -0.25 -2.12 0.00 0.00 175.29 172.08 1v1c n ASP 19 N 4.53 -4.72 -4.81 5.90 8.00 -1.26 -4.95 116.55 119.24 1v1c n ASP 19 Ca -0.02 0.35 -0.24 0.00 0.71 0.00 0.00 54.79 55.59 1v1c n ASP 19 Cb 0.41 -4.18 -0.05 0.00 -0.02 0.00 0.00 41.12 37.29 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v1c s ALA 20 N -2.57 3.91 0.01 2.24 0.00 -1.26 -1.89 121.76 122.20 1v1c s ALA 20 Ca 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.18 1v1c s ALA 20 Cb 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1v1c s ALA 20 CO 0.00 -0.24 -0.10 -1.50 0.00 0.00 0.00 175.76 173.93 1v1c s ILE 21 N -2.61 0.76 0.04 0.00 2.07 -1.26 -4.77 121.20 115.42 1v1c s ILE 21 Ca 0.40 -0.60 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 1v1c s ILE 21 Cb 0.01 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 1v1c s ILE 21 CO 0.23 0.08 1.25 -0.89 -1.91 0.00 0.00 174.94 173.70 1v1c s THR 22 N -0.49 3.95 -0.10 4.00 2.01 -1.26 -4.95 115.64 118.79 1v1c s THR 22 Ca 0.01 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1v1c s THR 22 Cb -0.05 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1v1c s THR 22 CO 0.00 0.07 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.16 1v1c s LEU 23 N 1.47 1.24 0.11 4.42 1.43 -0.76 -5.08 118.68 121.51 1v1c s LEU 23 Ca 0.60 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 1v1c s LEU 23 Cb -0.30 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 1v1c s LEU 23 CO 0.28 -0.10 0.49 -0.13 0.23 0.00 0.00 176.35 177.12 1v1c s ARG 24 N 1.53 3.92 -0.36 1.70 3.00 -1.26 -1.02 118.95 126.45 1v1c s ARG 24 Ca 0.01 0.40 -0.28 0.00 0.00 0.00 0.00 55.73 55.86 1v1c s ARG 24 Cb -0.13 -3.00 -0.07 0.00 0.00 0.00 0.00 34.95 31.75 1v1c s ARG 24 CO -0.06 0.53 2.31 -1.91 0.00 0.00 0.00 175.30 176.18 1v1c n GLU 25 N 0.98 1.45 0.00 3.54 2.13 -1.26 -1.97 120.64 125.51 1v1c n GLU 25 Ca -0.07 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1v1c n GLU 25 Cb 0.52 -3.19 0.00 0.00 0.27 0.00 0.00 31.44 29.04 1v1c n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1v1c n GLY 26 N 5.97 0.79 3.90 8.31 0.00 0.69 -4.94 105.19 119.92 1v1c n GLY 26 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 3.31 -0.03 1.61 -0.21 -0.83 -4.92 119.66 118.59 1v1c s GLN 27 Ca 0.00 -0.56 0.06 0.00 0.02 0.00 0.00 55.36 54.87 1v1c s GLN 27 Cb 0.00 -2.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1v1c s GLN 27 CO 0.00 0.57 -0.19 0.71 -2.12 0.00 0.00 175.29 174.25 1v1c s TYR 28 N -1.58 2.55 -0.29 0.91 1.51 -1.26 -2.45 117.35 116.73 1v1c s TYR 28 Ca 0.34 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.01 1v1c s TYR 28 Cb -0.12 -1.57 0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1v1c s TYR 28 CO 0.27 0.10 0.64 0.54 -1.11 0.00 0.00 175.55 175.99 1v1c s VAL 29 N -0.69 -0.71 0.53 0.71 0.11 -1.13 -4.30 120.40 114.92 1v1c s VAL 29 Ca 0.11 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.00 1v1c s VAL 29 Cb -0.10 -0.97 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 1v1c s VAL 29 CO 0.00 0.00 1.02 -1.83 -3.33 0.00 0.00 175.10 170.97 1v1c s GLU 30 N 2.54 3.70 0.13 1.54 -1.05 -1.26 -1.36 118.70 122.94 1v1c s GLU 30 Ca -0.07 1.17 -0.17 0.00 -0.15 0.00 0.00 54.97 55.75 1v1c s GLU 30 Cb -0.10 -2.09 -0.07 0.00 -0.44 0.00 0.00 34.13 31.43 1v1c s GLU 30 CO -0.19 -0.50 0.59 0.54 0.95 0.00 0.00 175.26 176.65 1v1c s VAL 31 N -2.35 4.76 -0.17 1.83 0.11 -0.44 -3.66 120.40 120.47 1v1c s VAL 31 Ca 0.63 1.08 -0.16 0.00 -2.93 0.00 0.00 61.98 60.59 1v1c s VAL 31 Cb -0.14 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 1v1c s VAL 31 CO 0.29 0.37 -0.32 0.18 -3.33 0.00 0.00 175.10 172.30 1v1c n LEU 32 N 1.19 1.87 0.00 2.54 4.77 -0.20 -4.39 117.00 122.77 1v1c n LEU 32 Ca -0.07 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1v1c n LEU 32 Cb 0.51 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1v1c n LEU 32 CO 0.42 -0.31 0.15 -0.67 -1.33 0.00 0.00 177.39 175.66 1v1c n ASP 33 N -4.43 0.00 -2.63 -1.43 -0.08 -1.16 -5.02 116.55 101.80 1v1c n ASP 33 Ca -0.13 0.45 -0.01 0.00 -1.51 0.00 0.00 54.79 53.60 1v1c n ASP 33 Cb 0.47 -0.24 -0.00 0.00 2.34 0.00 0.00 41.12 43.68 1v1c n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1v1c n ALA 34 N -1.22 -3.49 0.14 -1.67 0.00 -1.26 -5.01 120.51 108.00 1v1c n ALA 34 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1v1c n ALA 34 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.76 0.00 -2.55 0.00 0.00 -1.26 -5.10 120.51 112.37 1v1c n ALA 35 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1v1c n ALA 35 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.60 3.14 0.61 0.00 3.76 -1.26 -4.93 115.29 115.02 1v1c s HIS 36 Ca 0.00 0.13 0.26 0.00 -0.15 0.00 0.00 55.06 55.31 1v1c s HIS 36 Cb 0.00 -3.08 1.27 0.00 1.11 0.00 0.00 32.58 31.89 1v1c s HIS 36 CO 0.00 -0.65 1.70 -1.35 -0.85 0.00 0.00 174.74 173.59 1v1c h PRO 37 N 8.57 0.00 0.11 8.40 0.11 -2.04 -2.58 132.00 144.58 1v1c h PRO 37 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1v1c h PRO 37 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1v1c h PRO 37 CO 0.82 0.00 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.32 1v1c h LEU 38 N 0.00 -0.62 -7.35 2.35 -0.00 -1.99 -3.44 115.31 104.26 1v1c h LEU 38 Ca 0.22 0.06 -0.16 0.00 -0.00 0.00 0.00 57.88 58.00 1v1c h LEU 38 Cb 1.54 0.22 -0.27 0.00 -0.00 0.00 0.00 40.66 42.15 1v1c h LEU 38 CO -0.00 -0.25 -0.39 0.00 -0.00 0.00 0.00 178.44 177.80 1v1c s ARG 39 N -4.14 0.31 0.08 1.13 1.70 -0.97 -4.66 118.95 112.40 1v1c s ARG 39 Ca -0.07 0.55 0.08 0.00 -0.47 0.00 0.00 55.73 55.82 1v1c s ARG 39 Cb 0.02 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 1v1c s ARG 39 CO 0.25 -0.11 -0.19 -1.58 -1.08 0.00 0.00 175.30 172.58 1v1c s TRP 40 N 0.85 2.51 -0.24 5.89 0.51 -1.25 -4.65 118.94 122.56 1v1c s TRP 40 Ca -0.06 -0.28 -0.23 0.00 -2.12 0.00 0.00 56.10 53.41 1v1c s TRP 40 Cb -0.07 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.19 1v1c s TRP 40 CO -0.06 0.30 0.77 -1.17 -0.51 0.00 0.00 176.95 176.28 1v1c s LEU 41 N -1.74 4.08 0.05 2.99 2.96 -1.26 -3.72 118.68 122.05 1v1c s LEU 41 Ca 0.16 0.94 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1v1c s LEU 41 Cb -0.10 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1v1c s LEU 41 CO 0.07 -0.46 -0.08 0.68 -1.32 0.00 0.00 176.35 175.24 1v1c s VAL 42 N 2.68 0.58 -0.05 1.68 -7.23 -1.25 -1.04 120.40 115.79 1v1c s VAL 42 Ca 0.32 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1v1c s VAL 42 Cb -0.15 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1v1c s VAL 42 CO 0.08 -0.42 -0.06 0.00 -0.31 0.00 0.00 175.10 174.39 1v1c s ARG 43 N -1.78 0.97 0.72 4.82 3.03 -1.24 -1.56 118.95 123.91 1v1c s ARG 43 Ca -0.08 -0.16 -0.11 0.00 2.03 0.00 0.00 55.73 57.41 1v1c s ARG 43 Cb -0.09 -0.92 0.02 0.00 -1.03 0.00 0.00 34.95 32.93 1v1c s ARG 43 CO 0.00 -0.05 1.07 0.95 -1.13 0.00 0.00 175.30 176.14 1v1c s THR 44 N 0.83 3.83 0.15 4.99 -4.23 -1.04 -4.21 115.64 115.94 1v1c s THR 44 Ca -0.12 0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 60.68 1v1c s THR 44 Cb -0.15 -3.32 -0.07 0.00 1.34 0.00 0.00 72.50 70.30 1v1c s THR 44 CO 0.01 -0.77 1.21 -0.54 -0.54 0.00 0.00 174.62 173.98 1v1c s LYS 45 N -5.06 4.47 0.58 3.99 1.02 -1.26 -4.33 119.74 119.16 1v1c s LYS 45 Ca 0.59 1.85 -0.14 0.00 0.02 0.00 0.00 55.97 58.29 1v1c s LYS 45 Cb -0.14 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1v1c s LYS 45 CO 0.55 -0.15 1.02 -1.25 -0.92 0.00 0.00 175.35 174.60 1v1c s PRO 46 N 0.19 3.59 0.00 -1.68 0.04 -1.26 -4.96 135.00 130.91 1v1c s PRO 46 Ca 0.55 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1v1c s PRO 46 Cb -0.32 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1v1c s PRO 46 CO 0.34 -0.58 0.00 0.25 0.04 0.00 0.00 177.00 177.06 1v1c n THR 47 N -2.18 0.00 1.66 1.26 -2.24 -0.86 -4.95 114.28 106.97 1v1c n THR 47 Ca 0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1v1c n THR 47 Cb 0.54 -0.52 0.81 0.00 -2.10 0.00 0.00 70.33 69.06 1v1c n THR 47 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1v1c n LYS 48 N 0.00 0.71 0.00 -0.78 2.85 -1.26 -4.14 118.16 115.54 1v1c n LYS 48 Ca 0.00 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1v1c n LYS 48 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1v1c n LYS 48 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1v1c n SER 49 N -1.10 0.00 -4.57 -5.58 3.41 -1.26 -5.09 113.62 99.43 1v1c n SER 49 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 1v1c n SER 49 Cb 0.20 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 1v1c n SER 49 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v1c s SER 50 N 0.00 6.38 0.84 4.04 0.01 -1.26 -5.06 113.70 118.65 1v1c s SER 50 Ca 0.00 0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.26 1v1c s SER 50 Cb 0.00 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 64.03 1v1c s SER 50 CO 0.00 -0.51 1.13 -2.16 0.41 0.00 0.00 173.24 172.11 1v1c s PRO 51 N 2.53 1.63 -0.09 12.44 0.04 -1.26 -2.02 135.00 148.27 1v1c s PRO 51 Ca 0.21 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1v1c s PRO 51 Cb -0.15 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1v1c s PRO 51 CO 0.14 -2.15 1.19 -1.12 0.04 0.00 0.00 177.00 175.09 1v1c s SER 52 N -2.87 7.05 -0.09 6.66 0.01 -1.26 -4.74 113.70 118.46 1v1c s SER 52 Ca 0.65 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1v1c s SER 52 Cb -0.21 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1v1c s SER 52 CO 0.55 -0.61 -0.09 -0.13 0.41 0.00 0.00 173.24 173.37 1v1c s ARG 53 N 2.51 2.96 -0.10 12.44 0.52 -1.26 -5.00 118.95 131.02 1v1c s ARG 53 Ca 0.54 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1v1c s ARG 53 Cb -0.23 -2.61 -0.00 0.00 0.52 0.00 0.00 34.95 32.63 1v1c s ARG 53 CO 0.19 0.51 -0.24 1.14 0.02 0.00 0.00 175.30 176.92 1v1c s GLN 54 N -0.40 3.06 -0.07 3.54 -2.07 -1.26 -2.50 119.66 119.96 1v1c s GLN 54 Ca 0.05 -0.87 -0.10 0.00 -1.82 0.00 0.00 55.36 52.62 1v1c s GLN 54 Cb -0.12 -2.31 0.02 0.00 -1.09 0.00 0.00 33.01 29.51 1v1c s GLN 54 CO 0.02 0.18 0.26 0.20 -1.32 0.00 0.00 175.29 174.63 1v1c s GLY 55 N 0.35 -0.16 -0.20 2.60 0.00 -0.60 -4.89 107.32 104.42 1v1c s GLY 55 Ca -0.19 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1v1c s GLY 55 CO 0.09 0.43 1.19 -0.98 0.00 0.00 0.00 173.10 173.83 1v1c s TRP 56 N -0.32 2.99 0.32 1.90 0.52 -0.79 -3.81 118.94 119.74 1v1c s TRP 56 Ca -0.04 1.14 0.04 0.00 0.02 0.00 0.00 56.10 57.25 1v1c s TRP 56 Cb -0.03 -3.47 -0.06 0.00 -1.15 0.00 0.00 33.47 28.75 1v1c s TRP 56 CO 0.01 -1.32 0.05 0.14 0.02 0.00 0.00 176.95 175.85 1v1c s VAL 57 N 3.49 1.21 -0.41 4.03 -7.23 -1.24 -4.31 120.40 115.93 1v1c s VAL 57 Ca 0.51 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 58.42 1v1c s VAL 57 Cb -0.19 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1v1c s VAL 57 CO 0.13 -0.04 0.93 -0.44 -0.31 0.00 0.00 175.10 175.36 1v1c s SER 58 N -3.47 6.60 0.00 4.85 0.01 -1.26 -3.89 113.70 116.53 1v1c s SER 58 Ca 0.36 0.38 0.20 0.00 1.31 0.00 0.00 55.95 58.20 1v1c s SER 58 Cb 0.08 -2.46 1.16 0.00 0.21 0.00 0.00 66.02 65.01 1v1c s SER 58 CO 0.15 -0.94 1.59 -0.81 0.41 0.00 0.00 173.24 173.64 1v1c n PRO 59 N 6.95 0.56 0.21 12.44 -0.04 -1.26 -3.16 135.00 150.69 1v1c n PRO 59 Ca 0.07 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1v1c n PRO 59 Cb 0.48 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.88 1v1c n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v1c h ALA 60 N 3.19 1.51 -0.63 0.55 0.00 -1.90 -1.82 119.26 120.15 1v1c h ALA 60 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1v1c h ALA 60 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v1c h ALA 60 CO 0.00 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.26 1v1c n TYR 61 N -4.17 1.28 -3.76 0.00 4.01 -1.19 -4.94 117.16 108.40 1v1c n TYR 61 Ca -0.02 -0.53 -0.21 0.00 -0.16 0.00 0.00 57.90 56.98 1v1c n TYR 61 Cb 0.33 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.56 3.60 -0.01 7.72 1.02 -0.69 -4.22 118.68 124.54 1v1c s LEU 62 Ca 0.47 -0.51 0.07 0.00 0.02 0.00 0.00 54.13 54.19 1v1c s LEU 62 Cb 0.29 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1v1c s LEU 62 CO 0.25 -0.40 -0.23 -1.81 0.02 0.00 0.00 176.35 174.18 1v1c s ASP 63 N -4.02 2.76 -0.27 2.29 1.11 -1.21 -4.97 116.67 112.36 1v1c s ASP 63 Ca 0.42 -0.44 -0.29 0.00 0.18 0.00 0.00 52.55 52.43 1v1c s ASP 63 Cb -0.06 -0.30 0.01 0.00 1.07 0.00 0.00 42.92 43.64 1v1c s ASP 63 CO 0.27 0.28 1.04 -0.60 1.18 0.00 0.00 175.17 177.34 1v1c s ARG 64 N -0.60 4.17 0.04 8.23 3.52 -1.26 -3.53 118.95 129.51 1v1c s ARG 64 Ca 0.09 1.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.92 1v1c s ARG 64 Cb -0.09 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 1v1c s ARG 64 CO -0.01 -0.73 -0.07 1.03 -0.81 0.00 0.00 175.30 174.71 1v1c s ARG 65 N 3.36 0.50 0.01 5.12 0.52 -1.25 -5.06 118.95 122.15 1v1c s ARG 65 Ca 0.44 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1v1c s ARG 65 Cb -0.14 -0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 1v1c s ARG 65 CO 0.10 0.04 -0.08 -0.51 0.02 0.00 0.00 175.30 174.87 1v1c s LEU 66 N -1.50 3.10 0.35 2.53 1.43 -1.26 -3.91 118.68 119.41 1v1c s LEU 66 Ca -0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1v1c s LEU 66 Cb -0.10 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1v1c s LEU 66 CO 0.00 0.28 0.00 0.29 0.23 0.00 0.00 176.35 177.15 1v1c n LYS 67 N 1.55 -2.94 0.00 1.70 5.02 -1.26 -5.04 118.16 117.19 1v1c n LYS 67 Ca -0.15 1.96 0.00 0.00 -2.02 0.00 0.00 58.31 58.10 1v1c n LYS 67 Cb 0.52 -3.58 0.00 0.00 -0.02 0.00 0.00 35.03 31.96 1v1c n LYS 67 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77