#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 3.20 -0.24 1.39 0.08 -1.26 -5.07 117.98 116.08 1v1c s PHE 2 Ca 0.00 1.02 0.02 0.00 0.12 0.00 0.00 56.93 58.09 1v1c s PHE 2 Cb 0.00 -3.14 0.05 0.00 -0.57 0.00 0.00 43.02 39.37 1v1c s PHE 2 CO 0.00 -1.35 -0.10 0.34 -0.10 0.00 0.00 175.22 174.01 1v1c s ASP 3 N -4.32 4.03 0.09 1.36 -1.08 -1.26 -4.93 116.67 110.57 1v1c s ASP 3 Ca 0.59 -1.21 -0.25 0.00 -0.52 0.00 0.00 52.55 51.16 1v1c s ASP 3 Cb -0.12 -1.39 -0.06 0.00 -1.46 0.00 0.00 42.92 39.89 1v1c s ASP 3 CO 0.52 -0.18 0.77 -0.63 0.52 0.00 0.00 175.17 176.16 1v1c s ILE 4 N 1.24 4.60 0.27 4.11 1.01 -1.25 -1.40 121.20 129.78 1v1c s ILE 4 Ca -0.06 1.66 0.10 0.00 0.00 0.00 0.00 60.65 62.35 1v1c s ILE 4 Cb -0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1v1c s ILE 4 CO -0.06 0.42 -0.04 -0.31 0.00 0.00 0.00 174.94 174.94 1v1c s TYR 5 N -0.45 2.61 -0.04 3.97 2.02 -0.49 -2.11 117.35 122.84 1v1c s TYR 5 Ca 0.38 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.87 1v1c s TYR 5 Cb -0.21 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1v1c s TYR 5 CO 0.24 0.64 -0.16 0.54 -1.57 0.00 0.00 175.55 175.24 1v1c s VAL 6 N -2.37 1.36 -0.15 0.71 0.11 -1.08 -2.24 120.40 116.75 1v1c s VAL 6 Ca 0.31 -0.68 -0.22 0.00 -2.93 0.00 0.00 61.98 58.46 1v1c s VAL 6 Cb -0.06 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1v1c s VAL 6 CO 0.19 0.39 0.68 -0.69 -3.33 0.00 0.00 175.10 172.35 1v1c s VAL 7 N 0.06 5.01 -0.06 2.04 1.01 -1.15 -2.84 120.40 124.47 1v1c s VAL 7 Ca -0.04 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1v1c s VAL 7 Cb -0.11 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.39 1v1c s VAL 7 CO 0.02 0.15 1.03 0.35 0.00 0.00 0.00 175.10 176.65 1v1c n THR 8 N 4.35 0.88 -0.77 3.92 -2.24 -1.26 0.04 114.28 119.20 1v1c n THR 8 Ca -0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1v1c n THR 8 Cb 0.50 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.65 1.10 -2.78 6.98 0.00 -1.26 -5.05 120.51 118.85 1v1c n ALA 9 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 53.44 52.99 1v1c n ALA 9 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.09 -7.63 -4.26 0.00 2.03 -1.26 -4.94 116.55 100.39 1v1c n ASP 10 Ca 0.00 1.30 -0.43 0.00 0.52 0.00 0.00 54.79 56.18 1v1c n ASP 10 Cb 0.39 -4.83 -0.06 0.00 -0.72 0.00 0.00 41.12 35.91 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 -1.52 3.39 0.00 -0.67 6.14 -1.26 -4.93 117.35 118.50 1v1c s TYR 11 Ca -0.01 -1.68 0.07 0.00 0.64 0.00 0.00 57.07 56.08 1v1c s TYR 11 Cb 0.00 -3.65 -0.03 0.00 0.42 0.00 0.00 41.96 38.71 1v1c s TYR 11 CO 0.68 -1.00 -0.20 -0.48 0.64 0.00 0.00 175.55 175.19 1v1c s LEU 12 N 1.27 2.44 0.02 6.97 0.05 -1.26 -2.68 118.68 125.49 1v1c s LEU 12 Ca 0.06 -0.40 -0.31 0.00 0.05 0.00 0.00 54.13 53.54 1v1c s LEU 12 Cb -0.26 -1.45 -0.10 0.00 -2.05 0.00 0.00 46.19 42.33 1v1c s LEU 12 CO -0.00 0.30 1.95 -2.65 -0.55 0.00 0.00 176.35 175.39 1v1c n PRO 13 N 2.00 2.72 -2.62 1.48 -0.02 -1.26 -4.91 135.00 132.39 1v1c n PRO 13 Ca -0.16 1.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1v1c n PRO 13 Cb 0.52 -2.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.04 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 4.28 3.56 0.00 2.45 1.43 -1.26 -4.80 118.68 124.33 1v1c s LEU 14 Ca 0.89 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1v1c s LEU 14 Cb -0.49 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1v1c s LEU 14 CO 0.44 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 176.00 1v1c n GLY 15 N 5.90 1.50 2.86 -3.19 0.00 -1.26 -4.65 105.19 106.35 1v1c n GLY 15 Ca 0.14 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 2.01 0.15 4.61 0.00 -1.26 -5.12 121.76 120.15 1v1c s ALA 16 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 51.96 50.19 1v1c s ALA 16 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1v1c s ALA 16 CO 0.00 -1.56 0.01 -1.21 0.00 0.00 0.00 175.76 173.00 1v1c s GLU 17 N 1.37 2.48 0.05 0.00 2.02 -1.26 -5.12 118.70 118.23 1v1c s GLU 17 Ca 0.07 -1.00 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 1v1c s GLU 17 Cb -0.18 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 1v1c s GLU 17 CO -0.16 0.49 0.35 -0.65 0.02 0.00 0.00 175.26 175.30 1v1c s GLN 18 N -2.74 3.69 -2.06 1.61 -0.21 -1.26 -4.15 119.66 114.54 1v1c s GLN 18 Ca 0.27 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.72 1v1c s GLN 18 Cb -0.10 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.88 1v1c s GLN 18 CO 0.19 0.60 0.00 -0.25 -2.12 0.00 0.00 175.29 173.70 1v1c n ASP 19 N 0.99 -5.30 -4.69 5.90 9.92 -1.26 -4.96 116.55 117.15 1v1c n ASP 19 Ca -0.09 0.43 -0.31 0.00 -0.53 0.00 0.00 54.79 54.29 1v1c n ASP 19 Cb 0.52 -4.67 -0.08 0.00 -0.64 0.00 0.00 41.12 36.26 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 -2.73 3.31 0.09 2.24 0.00 -1.26 -1.79 121.76 121.62 1v1c s ALA 20 Ca 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.99 1v1c s ALA 20 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1v1c s ALA 20 CO 0.00 0.69 -0.24 -1.50 0.00 0.00 0.00 175.76 174.71 1v1c s ILE 21 N -1.26 2.01 -0.34 0.00 2.07 -1.26 -4.85 121.20 117.57 1v1c s ILE 21 Ca 0.24 -1.52 -0.26 0.00 -1.41 0.00 0.00 60.65 57.70 1v1c s ILE 21 Cb -0.12 -1.76 0.01 0.00 0.13 0.00 0.00 42.46 40.72 1v1c s ILE 21 CO 0.16 0.14 0.92 -0.89 -1.91 0.00 0.00 174.94 173.37 1v1c s THR 22 N -0.97 4.63 0.18 4.00 2.01 -1.26 -4.63 115.64 119.59 1v1c s THR 22 Ca 0.11 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.50 1v1c s THR 22 Cb -0.10 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1v1c s THR 22 CO 0.04 -0.44 0.02 -0.76 -0.69 0.00 0.00 174.62 172.79 1v1c s LEU 23 N 3.37 3.39 0.03 4.42 1.43 -1.09 -5.04 118.68 125.18 1v1c s LEU 23 Ca 0.38 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1v1c s LEU 23 Cb -0.13 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1v1c s LEU 23 CO 0.16 0.08 -0.24 -0.13 0.23 0.00 0.00 176.35 176.46 1v1c s ARG 24 N -3.00 1.96 -0.46 1.70 0.52 -1.26 -4.19 118.95 114.22 1v1c s ARG 24 Ca 0.28 -1.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.20 1v1c s ARG 24 Cb -0.09 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.25 1v1c s ARG 24 CO 0.19 0.53 2.31 -2.00 0.02 0.00 0.00 175.30 176.35 1v1c s GLU 25 N -1.16 2.34 0.00 3.54 2.12 -1.26 -1.65 118.70 122.63 1v1c s GLU 25 Ca 0.12 1.42 0.00 0.00 0.36 0.00 0.00 54.97 56.88 1v1c s GLU 25 Cb -0.10 -4.52 0.00 0.00 0.26 0.00 0.00 34.13 29.77 1v1c s GLU 25 CO 0.02 -3.00 0.00 0.41 -0.54 0.00 0.00 175.26 172.15 1v1c n GLY 26 N 5.92 1.88 3.86 -1.50 0.00 0.11 -4.94 105.19 110.52 1v1c n GLY 26 Ca 0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.08 1.61 -1.52 -0.66 -4.88 119.66 117.47 1v1c s GLN 27 Ca 0.00 -0.31 -0.01 0.00 -1.95 0.00 0.00 55.36 53.09 1v1c s GLN 27 Cb 0.00 -3.05 -0.03 0.00 -0.22 0.00 0.00 33.01 29.71 1v1c s GLN 27 CO 0.00 0.70 -0.04 0.71 -0.25 0.00 0.00 175.29 176.41 1v1c s TYR 28 N -1.19 3.04 -0.28 0.91 2.02 -1.26 -2.95 117.35 117.63 1v1c s TYR 28 Ca 0.22 0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.88 1v1c s TYR 28 Cb -0.12 -1.76 0.11 0.00 -0.40 0.00 0.00 41.96 39.79 1v1c s TYR 28 CO 0.13 0.36 0.64 0.54 -1.57 0.00 0.00 175.55 175.65 1v1c s VAL 29 N -0.76 -0.63 0.55 0.71 0.11 -0.95 -4.26 120.40 115.18 1v1c s VAL 29 Ca 0.12 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.01 1v1c s VAL 29 Cb -0.11 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1v1c s VAL 29 CO 0.02 0.01 1.04 -1.83 -3.33 0.00 0.00 175.10 171.00 1v1c s GLU 30 N 2.43 3.55 0.06 1.54 -1.05 -1.25 -1.40 118.70 122.58 1v1c s GLU 30 Ca -0.07 1.20 -0.14 0.00 -0.15 0.00 0.00 54.97 55.81 1v1c s GLU 30 Cb -0.10 -2.07 -0.06 0.00 -0.44 0.00 0.00 34.13 31.47 1v1c s GLU 30 CO -0.19 -0.62 0.46 0.54 0.95 0.00 0.00 175.26 176.40 1v1c s VAL 31 N -2.37 4.98 0.00 1.83 0.11 -0.49 -2.21 120.40 122.24 1v1c s VAL 31 Ca 0.64 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 1v1c s VAL 31 Cb -0.15 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1v1c s VAL 31 CO 0.32 0.42 0.00 0.18 -3.33 0.00 0.00 175.10 172.68 1v1c n LEU 32 N 1.31 0.00 -4.67 2.54 4.77 -0.29 -4.36 117.00 116.29 1v1c n LEU 32 Ca -0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 1v1c n LEU 32 Cb 0.52 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1v1c n LEU 32 CO 0.40 -0.48 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.12 1v1c s ASP 33 N -4.13 4.30 -0.03 -1.43 2.15 -1.11 -5.00 116.67 111.41 1v1c s ASP 33 Ca 0.00 -1.01 -0.07 0.00 0.43 0.00 0.00 52.55 51.90 1v1c s ASP 33 Cb 0.00 -0.54 -0.02 0.00 -0.30 0.00 0.00 42.92 42.06 1v1c s ASP 33 CO 0.00 -0.34 -0.14 0.00 -0.17 0.00 0.00 175.17 174.52 1v1c n ALA 34 N -1.06 1.91 -0.99 3.66 0.00 -1.26 -0.23 120.51 122.55 1v1c n ALA 34 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1v1c n ALA 34 Cb 0.63 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.73 0.00 -2.63 0.00 0.00 -1.26 -4.13 120.51 108.76 1v1c n ALA 35 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1v1c n ALA 35 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 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 3.28 0.56 0.00 3.76 -1.25 -4.94 115.29 116.71 1v1c s HIS 36 Ca 0.00 0.91 0.31 0.00 -0.15 0.00 0.00 55.06 56.13 1v1c s HIS 36 Cb 0.00 -2.96 1.46 0.00 1.11 0.00 0.00 32.58 32.19 1v1c s HIS 36 CO 0.00 -0.38 1.87 -1.35 -0.85 0.00 0.00 174.74 174.03 1v1c h PRO 37 N 7.86 0.00 0.24 8.40 0.11 -2.03 -2.57 132.00 144.02 1v1c h PRO 37 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1v1c h PRO 37 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1v1c h PRO 37 CO 0.82 0.00 -0.12 1.25 -0.21 0.00 0.00 178.00 179.74 1v1c h LEU 38 N 0.00 -0.28 -8.66 2.35 6.46 -1.92 -3.45 115.31 109.81 1v1c h LEU 38 Ca 0.36 0.01 -0.65 0.00 -0.12 0.00 0.00 57.88 57.47 1v1c h LEU 38 Cb 1.58 0.07 -0.26 0.00 -0.73 0.00 0.00 40.66 41.32 1v1c h LEU 38 CO -0.00 0.00 -0.75 0.00 -0.62 0.00 0.00 178.44 177.07 1v1c s ARG 39 N -2.69 3.44 0.16 1.25 1.70 -0.97 -4.37 118.95 117.48 1v1c s ARG 39 Ca -0.05 -0.65 0.05 0.00 -0.47 0.00 0.00 55.73 54.61 1v1c s ARG 39 Cb 0.00 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.66 1v1c s ARG 39 CO 0.14 0.22 0.13 -1.58 -1.08 0.00 0.00 175.30 173.14 1v1c s TRP 40 N 0.34 3.14 0.02 5.89 0.51 -1.21 -3.76 118.94 123.88 1v1c s TRP 40 Ca -0.10 -0.02 -0.30 0.00 -2.12 0.00 0.00 56.10 53.57 1v1c s TRP 40 Cb -0.16 -1.51 -0.04 0.00 -0.81 0.00 0.00 33.47 30.96 1v1c s TRP 40 CO 0.05 0.52 0.96 -1.17 -0.51 0.00 0.00 176.95 176.80 1v1c s LEU 41 N -3.09 4.39 0.08 2.99 2.96 0.69 -3.64 118.68 123.06 1v1c s LEU 41 Ca 0.31 1.66 0.02 0.00 -0.22 0.00 0.00 54.13 55.91 1v1c s LEU 41 Cb -0.10 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1v1c s LEU 41 CO 0.23 -0.21 -0.08 0.68 -1.32 0.00 0.00 176.35 175.65 1v1c s VAL 42 N 0.79 0.72 -0.16 1.68 -7.23 -1.06 -1.14 120.40 114.00 1v1c s VAL 42 Ca 0.50 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1v1c s VAL 42 Cb -0.21 -1.25 0.05 0.00 0.56 0.00 0.00 36.38 35.53 1v1c s VAL 42 CO 0.28 -0.62 0.05 -0.60 -0.31 0.00 0.00 175.10 173.90 1v1c s ARG 43 N -2.81 0.39 -0.08 4.82 3.52 -0.94 -2.17 118.95 121.68 1v1c s ARG 43 Ca 0.03 -0.19 -0.35 0.00 -0.13 0.00 0.00 55.73 55.09 1v1c s ARG 43 Cb -0.02 -1.79 -0.13 0.00 -1.56 0.00 0.00 34.95 31.45 1v1c s ARG 43 CO -0.02 -0.60 1.79 0.25 -0.81 0.00 0.00 175.30 175.92 1v1c n THR 44 N 5.16 0.42 -1.89 4.11 -2.24 -0.99 -3.88 114.28 114.98 1v1c n THR 44 Ca -0.08 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1v1c n THR 44 Cb 0.48 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 1v1c n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1v1c s LYS 45 N 3.37 3.89 0.88 -0.78 -2.85 -1.26 -4.37 119.74 118.62 1v1c s LYS 45 Ca 0.91 2.12 -0.14 0.00 -1.00 0.00 0.00 55.97 57.86 1v1c s LYS 45 Cb -0.77 -4.11 0.13 0.00 -2.06 0.00 0.00 37.83 31.02 1v1c s LYS 45 CO 0.52 -1.21 1.24 -1.25 0.10 0.00 0.00 175.35 174.75 1v1c s PRO 46 N 4.70 1.37 -0.24 1.78 0.04 -1.26 -5.03 135.00 136.36 1v1c s PRO 46 Ca 0.81 -0.11 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1v1c s PRO 46 Cb -0.33 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1v1c s PRO 46 CO 0.33 -1.97 1.06 -0.08 0.04 0.00 0.00 177.00 176.39 1v1c s THR 47 N -3.70 0.00 0.00 1.26 -1.32 -1.26 -4.98 115.64 105.64 1v1c s THR 47 Ca 0.67 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.15 1v1c s THR 47 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1v1c s THR 47 CO 0.51 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 173.21 1v1c n LYS 48 N 1.53 0.00 -0.78 7.08 5.02 -1.26 -1.24 118.16 128.51 1v1c n LYS 48 Ca -0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.16 1v1c n LYS 48 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 1v1c n LYS 48 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v1c n SER 49 N 2.07 -0.22 -4.66 4.39 2.88 -1.26 -5.10 113.62 111.72 1v1c n SER 49 Ca 0.00 -1.59 -0.43 0.00 -1.33 0.00 0.00 58.87 55.53 1v1c n SER 49 Cb 0.00 0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 1v1c n SER 49 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v1c s SER 50 N -0.70 7.05 0.19 -3.46 0.01 -0.37 -5.00 113.70 111.42 1v1c s SER 50 Ca 0.04 1.32 -0.32 0.00 1.31 0.00 0.00 55.95 58.30 1v1c s SER 50 Cb 0.04 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.63 1v1c s SER 50 CO -0.02 -0.66 1.72 -2.16 0.41 0.00 0.00 173.24 172.54 1v1c s PRO 51 N 3.17 4.14 0.19 12.44 0.04 -1.26 -4.15 135.00 149.57 1v1c s PRO 51 Ca 0.43 2.58 -0.21 0.00 0.04 0.00 0.00 61.00 63.83 1v1c s PRO 51 Cb -0.15 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 1v1c s PRO 51 CO 0.07 -0.75 0.72 0.45 0.04 0.00 0.00 177.00 177.53 1v1c s SER 52 N 1.42 7.15 0.09 6.66 0.15 -1.26 -4.92 113.70 122.99 1v1c s SER 52 Ca 0.75 1.47 0.03 0.00 0.70 0.00 0.00 55.95 58.89 1v1c s SER 52 Cb -0.48 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.35 1v1c s SER 52 CO 0.33 0.11 -0.08 -0.60 1.20 0.00 0.00 173.24 174.19 1v1c s ARG 53 N -1.66 0.81 -0.06 5.44 6.06 -1.26 -5.02 118.95 123.26 1v1c s ARG 53 Ca 0.40 -1.20 0.03 0.00 -2.50 0.00 0.00 55.73 52.45 1v1c s ARG 53 Cb -0.19 -0.36 0.01 0.00 0.06 0.00 0.00 34.95 34.47 1v1c s ARG 53 CO 0.22 0.03 -0.15 -0.65 -2.50 0.00 0.00 175.30 172.26 1v1c s GLN 54 N -3.16 1.85 0.14 5.12 -0.21 -1.26 -2.34 119.66 119.80 1v1c s GLN 54 Ca 0.07 -0.52 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 1v1c s GLN 54 Cb 0.00 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.50 1v1c s GLN 54 CO -0.02 0.11 0.36 0.20 -2.12 0.00 0.00 175.29 173.82 1v1c s GLY 55 N 0.43 0.03 -0.31 3.09 0.00 -0.92 -4.87 107.32 104.76 1v1c s GLY 55 Ca -0.12 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.10 1v1c s GLY 55 CO 0.04 -0.53 0.16 -0.98 0.00 0.00 0.00 173.10 171.79 1v1c s TRP 56 N -3.87 3.18 0.25 1.90 0.52 -0.74 -2.57 118.94 117.62 1v1c s TRP 56 Ca 0.08 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.65 1v1c s TRP 56 Cb 0.02 -2.36 -0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1v1c s TRP 56 CO -0.07 -0.46 0.01 0.14 0.02 0.00 0.00 176.95 176.59 1v1c s VAL 57 N 1.61 1.07 -0.35 4.03 -7.23 -1.24 -4.46 120.40 113.83 1v1c s VAL 57 Ca 0.04 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 57.93 1v1c s VAL 57 Cb -0.17 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1v1c s VAL 57 CO 0.06 -0.23 0.90 -0.44 -0.31 0.00 0.00 175.10 175.08 1v1c s SER 58 N -3.35 6.69 0.00 4.85 0.01 -1.26 -3.31 113.70 117.32 1v1c s SER 58 Ca 0.31 0.62 0.17 0.00 1.31 0.00 0.00 55.95 58.36 1v1c s SER 58 Cb 0.06 -2.45 0.97 0.00 0.21 0.00 0.00 66.02 64.81 1v1c s SER 58 CO 0.11 -0.80 1.48 -0.81 0.41 0.00 0.00 173.24 173.63 1v1c n PRO 59 N 6.63 0.42 -0.21 12.44 -0.04 -1.26 -3.22 135.00 149.75 1v1c n PRO 59 Ca 0.06 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1v1c n PRO 59 Cb 0.48 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.63 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 2.98 1.31 -0.33 0.55 0.00 -1.91 -1.08 119.26 120.78 1v1c h ALA 60 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1v1c h ALA 60 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1v1c h ALA 60 CO 0.00 0.55 0.00 0.66 0.00 0.00 0.00 179.25 180.46 1v1c n TYR 61 N -4.35 0.44 -3.30 0.00 4.01 -1.20 -4.90 117.16 107.86 1v1c n TYR 61 Ca 0.07 -0.22 -0.18 0.00 -0.16 0.00 0.00 57.90 57.41 1v1c n TYR 61 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.20 3.77 -0.02 7.72 1.02 -0.41 -4.14 118.68 125.42 1v1c s LEU 62 Ca 0.29 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 54.11 1v1c s LEU 62 Cb 0.16 -2.62 0.00 0.00 0.02 0.00 0.00 46.19 43.74 1v1c s LEU 62 CO 0.21 -0.58 -0.07 -0.62 0.02 0.00 0.00 176.35 175.31 1v1c s ASP 63 N -4.23 0.97 0.23 2.29 2.15 -1.13 -4.94 116.67 112.01 1v1c s ASP 63 Ca 0.49 -0.15 -0.30 0.00 0.43 0.00 0.00 52.55 53.02 1v1c s ASP 63 Cb -0.09 -0.22 -0.10 0.00 -0.30 0.00 0.00 42.92 42.22 1v1c s ASP 63 CO 0.31 0.06 1.45 -0.13 -0.17 0.00 0.00 175.17 176.69 1v1c s ARG 64 N 0.11 4.27 -0.04 4.34 0.52 -1.26 -2.63 118.95 124.25 1v1c s ARG 64 Ca -0.01 2.29 -0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1v1c s ARG 64 Cb -0.06 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.31 1v1c s ARG 64 CO -0.00 -0.44 0.00 0.50 0.02 0.00 0.00 175.30 175.39 1v1c s ARG 65 N -0.06 0.35 -0.03 3.54 3.52 -0.90 -4.95 118.95 120.42 1v1c s ARG 65 Ca 0.61 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 56.36 1v1c s ARG 65 Cb -0.42 -0.60 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 1v1c s ARG 65 CO 0.40 -0.18 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.03 1v1c s LEU 66 N 1.32 1.95 0.00 -0.88 1.43 -1.26 -3.84 118.68 117.40 1v1c s LEU 66 Ca -0.05 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1v1c s LEU 66 Cb -0.13 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1v1c s LEU 66 CO -0.02 0.17 0.00 0.29 0.23 0.00 0.00 176.35 177.02 1v1c n LYS 67 N 2.96 -2.34 0.00 1.70 4.76 -1.26 -5.16 118.16 118.82 1v1c n LYS 67 Ca -0.17 1.54 0.14 0.00 -2.87 0.00 0.00 58.31 56.95 1v1c n LYS 67 Cb 0.53 -2.85 0.47 0.00 -1.84 0.00 0.00 35.03 31.34 1v1c n LYS 67 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92