#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 2.84 -0.25 4.28 0.08 -1.26 -5.08 117.98 118.59 1v1c s PHE 2 Ca 0.00 0.42 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1v1c s PHE 2 Cb 0.00 -3.22 0.06 0.00 -0.57 0.00 0.00 43.02 39.30 1v1c s PHE 2 CO 0.00 -1.45 -0.08 -0.51 -0.10 0.00 0.00 175.22 173.07 1v1c s ASP 3 N -4.53 4.23 -0.34 1.36 1.11 -1.26 -4.93 116.67 112.30 1v1c s ASP 3 Ca 0.61 -1.34 -0.25 0.00 0.18 0.00 0.00 52.55 51.75 1v1c s ASP 3 Cb -0.10 -1.41 0.01 0.00 1.07 0.00 0.00 42.92 42.49 1v1c s ASP 3 CO 0.45 -0.21 0.88 -0.63 1.18 0.00 0.00 175.17 176.84 1v1c s ILE 4 N 1.21 4.66 0.02 0.77 1.01 -1.26 -1.40 121.20 126.22 1v1c s ILE 4 Ca -0.07 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.68 1v1c s ILE 4 Cb -0.20 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1v1c s ILE 4 CO -0.06 -0.43 0.37 -0.31 0.00 0.00 0.00 174.94 174.51 1v1c s TYR 5 N 3.29 3.64 -0.15 3.97 1.51 -0.50 -1.67 117.35 127.44 1v1c s TYR 5 Ca 0.36 0.82 -0.07 0.00 -1.01 0.00 0.00 57.07 57.17 1v1c s TYR 5 Cb -0.13 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1v1c s TYR 5 CO 0.16 0.60 0.10 0.54 -1.11 0.00 0.00 175.55 175.83 1v1c s VAL 6 N -1.23 5.13 -0.32 0.71 0.11 -0.79 -2.62 120.40 121.39 1v1c s VAL 6 Ca 0.27 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1v1c s VAL 6 Cb -0.15 -3.27 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1v1c s VAL 6 CO 0.15 0.53 0.48 -0.69 -3.33 0.00 0.00 175.10 172.24 1v1c s VAL 7 N -0.32 5.06 -0.00 2.04 1.01 -1.08 -3.25 120.40 123.86 1v1c s VAL 7 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1v1c s VAL 7 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1v1c s VAL 7 CO 0.01 -0.09 0.98 0.35 0.00 0.00 0.00 175.10 176.35 1v1c n THR 8 N 5.31 0.96 -1.12 3.92 -2.24 -1.26 -0.18 114.28 119.67 1v1c n THR 8 Ca -0.06 -0.96 0.08 0.00 -2.27 0.00 0.00 64.05 60.85 1v1c n THR 8 Cb 0.49 0.52 0.19 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.48 2.82 -0.80 6.98 0.00 -1.26 -5.01 120.51 122.76 1v1c n ALA 9 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1v1c n ALA 9 Cb 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1v1c n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1v1c n ASP 10 N -1.05 0.00 -2.69 0.00 9.92 -1.26 -4.80 116.55 116.67 1v1c n ASP 10 Ca 0.20 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.41 1v1c n ASP 10 Cb 0.77 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.26 1v1c n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v1c n TYR 11 N 0.00 -3.37 -3.99 1.24 9.36 -1.26 -3.65 117.16 115.50 1v1c n TYR 11 Ca 0.00 1.41 -0.33 0.00 3.32 0.00 0.00 57.90 62.30 1v1c n TYR 11 Cb 0.00 -3.85 -0.14 0.00 -0.63 0.00 0.00 39.34 34.72 1v1c n TYR 11 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1v1c s LEU 12 N -2.12 3.83 0.22 2.98 1.02 -1.26 -3.60 118.68 119.75 1v1c s LEU 12 Ca 0.15 -1.44 -0.32 0.00 0.02 0.00 0.00 54.13 52.53 1v1c s LEU 12 Cb -0.04 -1.64 -0.12 0.00 0.02 0.00 0.00 46.19 44.41 1v1c s LEU 12 CO 0.71 -0.25 1.65 -2.65 0.02 0.00 0.00 176.35 175.83 1v1c n PRO 13 N 4.50 2.59 -2.97 1.29 -0.02 -1.26 -4.93 135.00 134.20 1v1c n PRO 13 Ca -0.12 0.93 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1v1c n PRO 13 Cb 0.43 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 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 0.71 4.98 0.00 2.45 1.43 -1.26 -4.90 118.68 122.10 1v1c s LEU 14 Ca 0.73 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1v1c s LEU 14 Cb -0.55 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1v1c s LEU 14 CO 0.38 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1v1c n GLY 15 N 5.31 -1.02 3.27 -3.19 0.00 -1.26 -4.88 105.19 103.41 1v1c n GLY 15 Ca 0.05 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 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 3.53 -0.13 4.61 0.00 -1.26 -5.06 121.76 121.45 1v1c s ALA 16 Ca 0.00 -2.53 -0.07 0.00 0.00 0.00 0.00 51.96 49.36 1v1c s ALA 16 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1v1c s ALA 16 CO 0.00 -1.96 0.13 -1.21 0.00 0.00 0.00 175.76 172.72 1v1c s GLU 17 N 1.49 3.50 0.36 0.00 8.01 -1.26 -5.08 118.70 125.71 1v1c s GLU 17 Ca 0.04 -0.17 -0.26 0.00 0.01 0.00 0.00 54.97 54.59 1v1c s GLU 17 Cb -0.28 -3.18 -0.09 0.00 -4.31 0.00 0.00 34.13 26.27 1v1c s GLU 17 CO 0.01 0.71 1.12 -0.65 0.01 0.00 0.00 175.26 176.46 1v1c s GLN 18 N -0.83 4.29 -1.88 1.61 -0.21 -1.26 -2.99 119.66 118.39 1v1c s GLN 18 Ca 0.14 1.75 0.00 0.00 0.02 0.00 0.00 55.36 57.27 1v1c s GLN 18 Cb -0.12 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.06 1v1c s GLN 18 CO 0.03 -0.09 0.00 -0.25 -2.12 0.00 0.00 175.29 172.86 1v1c n ASP 19 N 0.44 -5.08 -4.31 5.90 8.00 -1.26 -4.96 116.55 115.29 1v1c n ASP 19 Ca 0.02 0.34 -0.31 0.00 0.71 0.00 0.00 54.79 55.55 1v1c n ASP 19 Cb 0.47 -4.45 -0.16 0.00 -0.02 0.00 0.00 41.12 36.96 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 -2.69 2.22 -0.06 2.24 0.00 -1.16 -3.02 121.76 119.29 1v1c s ALA 20 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1v1c s ALA 20 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1v1c s ALA 20 CO 0.00 0.47 -0.15 -1.50 0.00 0.00 0.00 175.76 174.58 1v1c s ILE 21 N -0.38 2.98 0.24 0.00 2.07 -1.26 -4.83 121.20 120.02 1v1c s ILE 21 Ca 0.03 -0.75 -0.30 0.00 -1.41 0.00 0.00 60.65 58.23 1v1c s ILE 21 Cb -0.12 -2.17 -0.09 0.00 0.13 0.00 0.00 42.46 40.21 1v1c s ILE 21 CO 0.02 0.58 1.12 0.42 -1.91 0.00 0.00 174.94 175.17 1v1c s THR 22 N -0.57 3.57 0.03 4.00 -4.23 -1.26 -4.86 115.64 112.32 1v1c s THR 22 Ca 0.08 1.47 0.04 0.00 -1.18 0.00 0.00 61.69 62.09 1v1c s THR 22 Cb -0.11 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 1v1c s THR 22 CO 0.01 0.30 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.53 1v1c s LEU 23 N -0.95 2.16 0.04 4.79 1.43 -1.24 -5.07 118.68 119.85 1v1c s LEU 23 Ca 0.47 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.25 1v1c s LEU 23 Cb -0.32 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1v1c s LEU 23 CO 0.39 -0.02 -0.26 -0.13 0.23 0.00 0.00 176.35 176.56 1v1c s ARG 24 N -1.07 1.79 -0.57 1.70 0.52 -1.25 -4.24 118.95 115.83 1v1c s ARG 24 Ca -0.01 -1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 53.84 1v1c s ARG 24 Cb -0.07 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.35 1v1c s ARG 24 CO 0.01 0.51 2.45 -1.91 0.02 0.00 0.00 175.30 176.37 1v1c n GLU 25 N 1.84 0.88 0.00 3.54 0.00 -1.24 -1.57 120.64 124.10 1v1c n GLU 25 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.04 1v1c n GLU 25 Cb 0.52 -2.97 0.00 0.00 0.00 0.00 0.00 31.44 28.99 1v1c n GLU 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1v1c n GLY 26 N 6.14 1.34 3.77 8.31 0.00 0.75 -4.95 105.19 120.55 1v1c n GLY 26 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 3.74 -0.10 1.61 -1.52 -0.61 -4.91 119.66 117.87 1v1c s GLN 27 Ca 0.00 -0.22 -0.04 0.00 -1.95 0.00 0.00 55.36 53.15 1v1c s GLN 27 Cb 0.00 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 1v1c s GLN 27 CO 0.00 0.52 0.06 0.71 -0.25 0.00 0.00 175.29 176.33 1v1c s TYR 28 N -0.31 3.33 -0.28 0.91 2.02 -1.26 -2.63 117.35 119.12 1v1c s TYR 28 Ca 0.10 0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.99 1v1c s TYR 28 Cb -0.12 -1.86 0.11 0.00 -0.40 0.00 0.00 41.96 39.69 1v1c s TYR 28 CO 0.01 0.55 0.65 0.54 -1.57 0.00 0.00 175.55 175.73 1v1c s VAL 29 N -0.87 -0.59 0.56 0.71 0.11 -1.08 -4.32 120.40 114.93 1v1c s VAL 29 Ca 0.13 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.02 1v1c s VAL 29 Cb -0.12 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1v1c s VAL 29 CO 0.03 0.00 1.05 -1.83 -3.33 0.00 0.00 175.10 171.02 1v1c s GLU 30 N 2.38 3.47 -0.02 1.54 -1.05 -1.26 -1.41 118.70 122.35 1v1c s GLU 30 Ca -0.07 1.23 -0.12 0.00 -0.15 0.00 0.00 54.97 55.86 1v1c s GLU 30 Cb -0.09 -2.05 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 1v1c s GLU 30 CO -0.19 -0.69 0.33 0.54 0.95 0.00 0.00 175.26 176.20 1v1c s VAL 31 N -2.35 5.18 -0.01 1.83 0.11 -0.49 -3.19 120.40 121.48 1v1c s VAL 31 Ca 0.64 0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 60.28 1v1c s VAL 31 Cb -0.16 -3.61 -0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1v1c s VAL 31 CO 0.32 0.55 -0.02 0.18 -3.33 0.00 0.00 175.10 172.81 1v1c n LEU 32 N 1.75 0.13 -4.46 2.54 4.77 -0.25 -4.34 117.00 117.15 1v1c n LEU 32 Ca -0.15 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 1v1c n LEU 32 Cb 0.53 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1v1c n LEU 32 CO 0.36 -0.49 -0.34 -1.81 -1.33 0.00 0.00 177.39 173.79 1v1c s ASP 33 N -3.96 2.86 -0.02 -1.43 1.11 -1.23 -5.02 116.67 108.98 1v1c s ASP 33 Ca -0.02 -1.25 -0.05 0.00 0.18 0.00 0.00 52.55 51.41 1v1c s ASP 33 Cb 0.00 -0.19 -0.02 0.00 1.07 0.00 0.00 42.92 43.78 1v1c s ASP 33 CO 0.03 -0.40 -0.11 0.00 1.18 0.00 0.00 175.17 175.86 1v1c n ALA 34 N -0.66 2.38 -0.98 5.23 0.00 -1.26 -1.39 120.51 123.82 1v1c n ALA 34 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1v1c n ALA 34 Cb 0.64 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.66 0.00 -2.85 0.00 0.00 -1.26 -4.49 120.51 108.24 1v1c n ALA 35 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1v1c n ALA 35 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 3.20 0.62 0.00 3.76 -1.26 -4.98 115.29 116.63 1v1c s HIS 36 Ca 0.00 -0.05 0.29 0.00 -0.15 0.00 0.00 55.06 55.15 1v1c s HIS 36 Cb 0.00 -2.15 1.57 0.00 1.11 0.00 0.00 32.58 33.11 1v1c s HIS 36 CO 0.00 -0.01 1.94 -1.35 -0.85 0.00 0.00 174.74 174.48 1v1c h PRO 37 N 7.24 0.00 0.31 8.40 0.11 -2.03 -2.27 132.00 143.77 1v1c h PRO 37 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1v1c h PRO 37 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1v1c h PRO 37 CO 0.65 0.00 -0.27 1.25 -0.21 0.00 0.00 178.00 179.42 1v1c h LEU 38 N 0.00 -0.71 -7.83 2.35 6.46 -1.93 -3.44 115.31 110.20 1v1c h LEU 38 Ca 0.12 0.06 -0.31 0.00 -0.12 0.00 0.00 57.88 57.63 1v1c h LEU 38 Cb 0.88 0.24 -0.29 0.00 -0.73 0.00 0.00 40.66 40.75 1v1c h LEU 38 CO -0.00 -0.40 -0.75 0.00 -0.62 0.00 0.00 178.44 176.67 1v1c s ARG 39 N -6.06 0.32 0.15 1.25 1.70 -0.85 -4.60 118.95 110.85 1v1c s ARG 39 Ca -0.16 -0.11 0.06 0.00 -0.47 0.00 0.00 55.73 55.05 1v1c s ARG 39 Cb 0.06 -0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.07 1v1c s ARG 39 CO 0.64 0.06 0.00 -1.58 -1.08 0.00 0.00 175.30 173.34 1v1c s TRP 40 N 0.05 2.90 -0.06 5.89 0.51 -1.20 -4.26 118.94 122.77 1v1c s TRP 40 Ca -0.00 -0.10 -0.24 0.00 -2.12 0.00 0.00 56.10 53.64 1v1c s TRP 40 Cb -0.03 -1.44 -0.04 0.00 -0.81 0.00 0.00 33.47 31.16 1v1c s TRP 40 CO -0.00 0.50 0.73 -1.17 -0.51 0.00 0.00 176.95 176.49 1v1c s LEU 41 N -2.73 4.33 -0.07 2.99 2.96 -0.49 -3.31 118.68 122.36 1v1c s LEU 41 Ca 0.27 1.24 -0.06 0.00 -0.22 0.00 0.00 54.13 55.35 1v1c s LEU 41 Cb -0.10 -3.13 0.02 0.00 0.50 0.00 0.00 46.19 43.48 1v1c s LEU 41 CO 0.19 -0.12 0.18 0.68 -1.32 0.00 0.00 176.35 175.96 1v1c s VAL 42 N 0.77 -0.00 -0.19 1.68 -7.23 -1.25 -1.08 120.40 113.09 1v1c s VAL 42 Ca 0.39 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.58 1v1c s VAL 42 Cb -0.18 -0.26 0.04 0.00 0.56 0.00 0.00 36.38 36.53 1v1c s VAL 42 CO 0.19 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.87 1v1c s ARG 43 N 0.16 2.12 0.71 4.82 1.70 -1.19 -1.46 118.95 125.82 1v1c s ARG 43 Ca -0.01 -0.81 -0.15 0.00 -0.47 0.00 0.00 55.73 54.30 1v1c s ARG 43 Cb -0.02 -2.38 0.03 0.00 -0.57 0.00 0.00 34.95 32.01 1v1c s ARG 43 CO -0.00 -0.39 1.16 0.95 -1.08 0.00 0.00 175.30 175.94 1v1c s THR 44 N 1.40 2.66 0.15 4.99 -4.23 -1.14 -4.21 115.64 115.27 1v1c s THR 44 Ca -0.00 0.31 -0.25 0.00 -1.18 0.00 0.00 61.69 60.57 1v1c s THR 44 Cb -0.16 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.78 1v1c s THR 44 CO -0.09 -0.19 0.76 -0.54 -0.54 0.00 0.00 174.62 174.02 1v1c s LYS 45 N -4.04 4.53 0.27 3.99 1.02 -1.26 -4.08 119.74 120.18 1v1c s LYS 45 Ca 0.71 1.12 -0.29 0.00 0.02 0.00 0.00 55.97 57.52 1v1c s LYS 45 Cb -0.25 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 1v1c s LYS 45 CO 0.45 0.57 1.23 -1.25 -0.92 0.00 0.00 175.35 175.43 1v1c s PRO 46 N -1.11 4.47 -0.44 -1.68 0.04 -1.26 -4.89 135.00 130.13 1v1c s PRO 46 Ca 0.35 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1v1c s PRO 46 Cb -0.23 -3.16 0.39 0.00 0.04 0.00 0.00 34.50 31.55 1v1c s PRO 46 CO 0.25 -0.07 1.90 -2.37 0.04 0.00 0.00 177.00 176.76 1v1c n THR 47 N 1.56 3.01 -1.18 1.26 5.66 -1.23 -4.81 114.28 118.54 1v1c n THR 47 Ca 0.02 -1.98 -0.06 0.00 -3.05 0.00 0.00 64.05 58.97 1v1c n THR 47 Cb 0.43 -1.02 -0.03 0.00 -1.55 0.00 0.00 70.33 68.17 1v1c n THR 47 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1v1c n LYS 48 N -0.45 -1.50 0.00 1.09 5.02 -1.26 -4.54 118.16 116.52 1v1c n LYS 48 Ca 0.46 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 1v1c n LYS 48 Cb 0.89 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 1v1c n LYS 48 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1v1c n SER 49 N -0.82 0.00 -3.91 4.39 3.41 -1.26 -5.08 113.62 110.35 1v1c n SER 49 Ca -0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.27 1v1c n SER 49 Cb 0.47 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.25 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 2.52 0.72 4.04 0.01 -1.26 -5.13 113.70 114.59 1v1c s SER 50 Ca 0.00 -0.48 -0.16 0.00 1.31 0.00 0.00 55.95 56.62 1v1c s SER 50 Cb 0.00 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.34 1v1c s SER 50 CO 0.00 -0.14 1.05 -0.81 0.41 0.00 0.00 173.24 173.75 1v1c n PRO 51 N 4.90 0.58 -2.04 12.44 -0.04 -1.26 -3.52 135.00 146.05 1v1c n PRO 51 Ca -0.13 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1v1c n PRO 51 Cb 0.49 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1v1c n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v1c s SER 52 N -1.64 6.70 -0.15 3.54 0.15 -1.26 -4.79 113.70 116.25 1v1c s SER 52 Ca 0.75 2.33 0.01 0.00 0.70 0.00 0.00 55.95 59.75 1v1c s SER 52 Cb -0.35 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1v1c s SER 52 CO 0.48 -0.82 -0.19 -0.13 1.20 0.00 0.00 173.24 173.78 1v1c s ARG 53 N 2.59 3.11 -0.16 5.44 0.52 -1.26 -4.94 118.95 124.26 1v1c s ARG 53 Ca 0.70 -0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 55.02 1v1c s ARG 53 Cb -0.36 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 1v1c s ARG 53 CO 0.30 -0.01 0.14 1.14 0.02 0.00 0.00 175.30 176.89 1v1c s GLN 54 N 0.83 3.84 -0.15 3.54 -2.07 -1.26 -2.86 119.66 121.53 1v1c s GLN 54 Ca -0.06 -0.16 -0.13 0.00 -1.82 0.00 0.00 55.36 53.19 1v1c s GLN 54 Cb -0.15 -3.31 0.04 0.00 -1.09 0.00 0.00 33.01 28.50 1v1c s GLN 54 CO -0.01 0.53 0.40 0.20 -1.32 0.00 0.00 175.29 175.09 1v1c s GLY 55 N -0.30 -0.31 -0.05 2.60 0.00 -0.53 -4.86 107.32 103.88 1v1c s GLY 55 Ca 0.12 1.20 -0.30 0.00 0.00 0.00 0.00 44.72 45.74 1v1c s GLY 55 CO 0.01 1.09 1.24 -0.98 0.00 0.00 0.00 173.10 174.46 1v1c s TRP 56 N 0.40 3.11 0.30 1.90 0.52 -1.17 -3.88 118.94 120.12 1v1c s TRP 56 Ca -0.02 1.13 0.03 0.00 0.02 0.00 0.00 56.10 57.26 1v1c s TRP 56 Cb -0.04 -3.47 -0.05 0.00 -1.15 0.00 0.00 33.47 28.76 1v1c s TRP 56 CO -0.02 -1.55 0.11 0.14 0.02 0.00 0.00 176.95 175.66 1v1c s VAL 57 N 2.29 0.64 -0.39 4.03 -7.23 -1.21 -4.67 120.40 113.86 1v1c s VAL 57 Ca 0.57 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.50 1v1c s VAL 57 Cb -0.26 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1v1c s VAL 57 CO 0.23 0.00 0.88 -0.44 -0.31 0.00 0.00 175.10 175.45 1v1c s SER 58 N -3.40 6.59 0.00 4.85 0.01 -1.26 -3.23 113.70 117.26 1v1c s SER 58 Ca 0.35 0.40 0.17 0.00 1.31 0.00 0.00 55.95 58.18 1v1c s SER 58 Cb 0.07 -2.44 0.95 0.00 0.21 0.00 0.00 66.02 64.81 1v1c s SER 58 CO 0.15 -0.86 1.47 -0.81 0.41 0.00 0.00 173.24 173.60 1v1c n PRO 59 N 6.73 0.40 0.04 12.44 -0.04 -1.26 -2.96 135.00 150.34 1v1c n PRO 59 Ca 0.05 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1v1c n PRO 59 Cb 0.48 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.14 1.56 0.06 0.55 0.00 -1.26 -1.80 120.51 118.48 1v1c n ALA 60 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1v1c n ALA 60 Cb 0.10 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.72 0.05 -4.87 0.00 4.01 -1.16 -5.00 117.16 108.48 1v1c n TYR 61 Ca 0.03 -0.19 -0.33 0.00 -0.16 0.00 0.00 57.90 57.25 1v1c n TYR 61 Cb 0.16 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.55 2.70 -0.10 7.72 1.02 -0.74 -4.23 118.68 124.50 1v1c s LEU 62 Ca 0.05 -0.26 0.03 0.00 0.02 0.00 0.00 54.13 53.97 1v1c s LEU 62 Cb 0.03 -1.57 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 1v1c s LEU 62 CO 0.04 0.28 -0.20 -1.81 0.02 0.00 0.00 176.35 174.68 1v1c s ASP 63 N -0.32 3.42 0.61 2.29 1.01 -1.20 -4.93 116.67 117.56 1v1c s ASP 63 Ca 0.03 -0.45 -0.18 0.00 0.71 0.00 0.00 52.55 52.65 1v1c s ASP 63 Cb -0.13 -1.30 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1v1c s ASP 63 CO 0.03 0.19 0.99 -2.11 0.21 0.00 0.00 175.17 174.48 1v1c n ARG 64 N 3.31 0.89 -3.72 8.23 1.85 -1.26 -1.88 116.66 124.08 1v1c n ARG 64 Ca -0.18 0.35 -0.14 0.00 -1.00 0.00 0.00 57.85 56.87 1v1c n ARG 64 Cb 0.53 -2.20 -0.15 0.00 -1.05 0.00 0.00 32.46 29.59 1v1c n ARG 64 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1v1c s ARG 65 N -2.84 0.08 -0.25 2.89 3.52 -0.67 -4.80 118.95 116.88 1v1c s ARG 65 Ca 0.77 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.73 1v1c s ARG 65 Cb -0.41 -0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.75 1v1c s ARG 65 CO 0.46 -0.21 0.09 -1.17 -0.81 0.00 0.00 175.30 173.66 1v1c s LEU 66 N 1.51 3.54 -0.14 -0.88 2.96 -1.26 -4.05 118.68 120.35 1v1c s LEU 66 Ca -0.06 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 1v1c s LEU 66 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1v1c s LEU 66 CO -0.06 -0.04 1.20 -0.54 -1.32 0.00 0.00 176.35 175.60 1v1c s LYS 67 N 1.64 4.28 0.00 1.98 1.02 -1.26 -5.17 119.74 122.22 1v1c s LYS 67 Ca 0.06 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1v1c s LYS 67 Cb -0.15 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1v1c s LYS 67 CO 0.05 -0.60 0.17 1.28 -0.92 0.00 0.00 175.35 175.32