#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 2.56 -0.24 1.39 0.08 -1.26 -5.04 117.98 115.47 1v1c s PHE 2 Ca 0.00 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.63 1v1c s PHE 2 Cb 0.00 -3.06 0.06 0.00 -0.57 0.00 0.00 43.02 39.45 1v1c s PHE 2 CO 0.00 -1.82 -0.10 -0.51 -0.10 0.00 0.00 175.22 172.70 1v1c s ASP 3 N -3.34 4.08 -0.40 1.36 1.01 -1.26 -4.92 116.67 113.19 1v1c s ASP 3 Ca 0.62 -1.23 -0.25 0.00 0.71 0.00 0.00 52.55 52.39 1v1c s ASP 3 Cb -0.17 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.38 1v1c s ASP 3 CO 0.55 -0.19 0.92 -0.63 0.21 0.00 0.00 175.17 176.03 1v1c s ILE 4 N 1.24 4.55 0.07 0.77 1.01 -1.22 -1.41 121.20 126.20 1v1c s ILE 4 Ca -0.06 1.00 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1v1c s ILE 4 Cb -0.19 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1v1c s ILE 4 CO -0.06 -0.65 0.37 -0.31 0.00 0.00 0.00 174.94 174.29 1v1c s TYR 5 N 3.56 3.58 -0.10 3.97 2.02 -0.47 -3.60 117.35 126.31 1v1c s TYR 5 Ca 0.37 0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 57.80 1v1c s TYR 5 Cb -0.11 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1v1c s TYR 5 CO 0.22 0.54 -0.07 0.54 -1.57 0.00 0.00 175.55 175.20 1v1c s VAL 6 N -1.39 3.64 -0.30 0.71 0.11 -1.24 -2.61 120.40 119.33 1v1c s VAL 6 Ca 0.32 -0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 1v1c s VAL 6 Cb -0.14 -2.52 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1v1c s VAL 6 CO 0.18 0.55 1.14 -0.69 -3.33 0.00 0.00 175.10 172.95 1v1c s VAL 7 N -0.27 4.43 -0.05 2.04 1.01 -1.18 -3.71 120.40 122.66 1v1c s VAL 7 Ca 0.04 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.75 1v1c s VAL 7 Cb -0.13 -4.32 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1v1c s VAL 7 CO 0.03 -0.43 1.05 0.35 0.00 0.00 0.00 175.10 176.10 1v1c n THR 8 N 5.85 1.32 -0.64 3.92 -2.24 -1.26 -0.79 114.28 120.45 1v1c n THR 8 Ca 0.13 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1v1c n THR 8 Cb 0.47 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.86 1.07 -2.80 6.98 0.00 -1.26 -5.06 120.51 118.57 1v1c n ALA 9 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 1v1c n ALA 9 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -7.52 -4.45 0.00 2.03 -1.26 -4.88 116.55 100.40 1v1c n ASP 10 Ca 0.00 1.26 -0.44 0.00 0.52 0.00 0.00 54.79 56.13 1v1c n ASP 10 Cb 0.25 -4.67 -0.03 0.00 -0.72 0.00 0.00 41.12 35.95 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 -1.48 2.99 -0.41 -0.67 5.04 -1.26 -4.90 117.35 116.66 1v1c s TYR 11 Ca -0.01 -1.14 -0.11 0.00 -2.44 0.00 0.00 57.07 53.37 1v1c s TYR 11 Cb 0.00 -4.27 0.06 0.00 0.35 0.00 0.00 41.96 38.09 1v1c s TYR 11 CO 0.65 -1.52 0.25 -1.17 -1.34 0.00 0.00 175.55 172.42 1v1c s LEU 12 N 3.07 5.03 0.08 6.97 0.20 -1.26 -3.23 118.68 129.54 1v1c s LEU 12 Ca 0.29 -1.27 -0.32 0.00 0.69 0.00 0.00 54.13 53.52 1v1c s LEU 12 Cb -0.09 -2.03 -0.11 0.00 -0.43 0.00 0.00 46.19 43.53 1v1c s LEU 12 CO -0.03 -0.49 1.83 -2.65 -0.29 0.00 0.00 176.35 174.72 1v1c n PRO 13 N 4.99 2.61 -2.42 0.98 -0.02 -1.26 -4.89 135.00 134.98 1v1c n PRO 13 Ca -0.11 0.95 -0.39 0.00 -2.02 0.00 0.00 63.50 61.93 1v1c n PRO 13 Cb 0.44 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 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 2.98 3.30 0.00 2.45 1.43 -1.26 -4.80 118.68 122.77 1v1c s LEU 14 Ca 0.84 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1v1c s LEU 14 Cb -0.54 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1v1c s LEU 14 CO 0.41 -1.91 0.00 0.61 0.23 0.00 0.00 176.35 175.69 1v1c n GLY 15 N 6.14 -1.75 3.22 -3.19 0.00 -1.26 -4.87 105.19 103.47 1v1c n GLY 15 Ca 0.21 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 3.20 -0.01 4.61 0.00 -1.26 -5.08 121.76 121.21 1v1c s ALA 16 Ca 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 51.96 49.74 1v1c s ALA 16 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1v1c s ALA 16 CO 0.00 -1.65 0.06 -1.21 0.00 0.00 0.00 175.76 172.96 1v1c s GLU 17 N 1.33 3.01 0.43 0.00 2.02 -1.26 -5.10 118.70 119.13 1v1c s GLU 17 Ca 0.03 -0.50 -0.24 0.00 0.02 0.00 0.00 54.97 54.29 1v1c s GLU 17 Cb -0.23 -2.83 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 1v1c s GLU 17 CO -0.00 0.65 1.11 -0.65 0.02 0.00 0.00 175.26 176.39 1v1c s GLN 18 N -1.63 3.98 -0.91 1.61 -1.52 -1.26 -2.91 119.66 117.03 1v1c s GLN 18 Ca 0.21 1.65 0.00 0.00 -1.95 0.00 0.00 55.36 55.28 1v1c s GLN 18 Cb -0.12 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.18 1v1c s GLN 18 CO 0.12 -0.34 0.00 -0.25 -0.25 0.00 0.00 175.29 174.57 1v1c n ASP 19 N -0.24 -5.75 -4.85 5.90 9.92 -1.26 -4.95 116.55 115.32 1v1c n ASP 19 Ca 0.06 0.21 -0.28 0.00 -0.53 0.00 0.00 54.79 54.25 1v1c n ASP 19 Cb 0.49 -4.00 -0.05 0.00 -0.64 0.00 0.00 41.12 36.92 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 -1.74 3.73 0.01 2.24 0.00 -1.14 -3.38 121.76 121.48 1v1c s ALA 20 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1v1c s ALA 20 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1v1c s ALA 20 CO 0.00 0.61 -0.13 -1.50 0.00 0.00 0.00 175.76 174.74 1v1c s ILE 21 N -1.64 1.04 0.04 0.00 2.07 -1.26 -4.93 121.20 116.52 1v1c s ILE 21 Ca 0.32 -0.76 -0.23 0.00 -1.41 0.00 0.00 60.65 58.57 1v1c s ILE 21 Cb -0.11 -0.91 -0.06 0.00 0.13 0.00 0.00 42.46 41.51 1v1c s ILE 21 CO 0.25 0.14 0.69 0.42 -1.91 0.00 0.00 174.94 174.53 1v1c s THR 22 N -0.58 4.77 0.17 4.00 -4.23 -1.26 -4.84 115.64 113.68 1v1c s THR 22 Ca 0.03 1.46 0.06 0.00 -1.18 0.00 0.00 61.69 62.06 1v1c s THR 22 Cb -0.06 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1v1c s THR 22 CO 0.00 0.41 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.60 1v1c s LEU 23 N -0.25 2.51 0.04 4.79 1.43 -1.20 -5.09 118.68 120.91 1v1c s LEU 23 Ca 0.35 -0.97 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1v1c s LEU 23 Cb -0.20 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.45 1v1c s LEU 23 CO 0.21 -0.21 -0.19 -0.13 0.23 0.00 0.00 176.35 176.26 1v1c s ARG 24 N -3.45 1.27 -0.34 1.70 3.00 -1.26 -4.18 118.95 115.68 1v1c s ARG 24 Ca 0.18 -0.88 -0.27 0.00 0.00 0.00 0.00 55.73 54.75 1v1c s ARG 24 Cb -0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 34.95 33.55 1v1c s ARG 24 CO 0.04 0.34 2.21 -2.00 0.00 0.00 0.00 175.30 175.89 1v1c s GLU 25 N -1.13 2.79 0.00 3.54 2.12 -1.26 -2.31 118.70 122.44 1v1c s GLU 25 Ca 0.06 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.06 1v1c s GLU 25 Cb -0.08 -4.42 0.00 0.00 0.26 0.00 0.00 34.13 29.88 1v1c s GLU 25 CO 0.02 -2.50 0.00 0.41 -0.54 0.00 0.00 175.26 172.65 1v1c n GLY 26 N 5.80 0.87 3.97 -1.50 0.00 0.03 -4.95 105.19 109.41 1v1c n GLY 26 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 2.91 -0.02 1.61 -1.52 -0.98 -4.92 119.66 116.74 1v1c s GLN 27 Ca 0.00 -1.18 0.03 0.00 -1.95 0.00 0.00 55.36 52.26 1v1c s GLN 27 Cb 0.00 -2.72 -0.00 0.00 -0.22 0.00 0.00 33.01 30.07 1v1c s GLN 27 CO 0.00 -0.09 -0.12 0.71 -0.25 0.00 0.00 175.29 175.54 1v1c s TYR 28 N -2.29 1.20 -0.29 0.91 2.02 -1.26 -3.13 117.35 114.51 1v1c s TYR 28 Ca 0.49 -0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.78 1v1c s TYR 28 Cb -0.09 -0.81 0.11 0.00 -0.40 0.00 0.00 41.96 40.77 1v1c s TYR 28 CO 0.31 -0.08 0.66 0.54 -1.57 0.00 0.00 175.55 175.41 1v1c s VAL 29 N -0.04 -0.64 0.54 0.71 0.11 -1.07 -4.35 120.40 115.66 1v1c s VAL 29 Ca -0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1v1c s VAL 29 Cb -0.08 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.72 1v1c s VAL 29 CO 0.00 0.00 1.03 -1.83 -3.33 0.00 0.00 175.10 170.97 1v1c s GLU 30 N 2.45 3.62 0.12 1.54 -1.05 -1.26 -1.37 118.70 122.76 1v1c s GLU 30 Ca -0.07 1.16 -0.15 0.00 -0.15 0.00 0.00 54.97 55.75 1v1c s GLU 30 Cb -0.10 -2.08 -0.07 0.00 -0.44 0.00 0.00 34.13 31.45 1v1c s GLU 30 CO -0.19 -0.55 0.54 0.54 0.95 0.00 0.00 175.26 176.54 1v1c s VAL 31 N -2.41 4.86 0.00 1.83 0.11 -0.50 -3.44 120.40 120.85 1v1c s VAL 31 Ca 0.63 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.55 1v1c s VAL 31 Cb -0.14 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1v1c s VAL 31 CO 0.31 0.31 0.00 0.18 -3.33 0.00 0.00 175.10 172.57 1v1c n LEU 32 N 1.01 0.00 -4.75 2.54 4.77 0.13 -4.38 117.00 116.33 1v1c n LEU 32 Ca -0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 1v1c n LEU 32 Cb 0.52 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1v1c n LEU 32 CO 0.42 -0.06 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.61 1v1c s ASP 33 N -1.20 6.16 -0.08 -1.43 2.15 -1.09 -5.00 116.67 116.17 1v1c s ASP 33 Ca 0.00 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.24 1v1c s ASP 33 Cb 0.00 -2.06 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1v1c s ASP 33 CO 0.00 0.23 -0.06 0.00 -0.17 0.00 0.00 175.17 175.17 1v1c s ALA 34 N 0.06 1.06 0.43 3.66 0.00 -1.26 -2.32 121.76 123.39 1v1c s ALA 34 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1v1c s ALA 34 Cb -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1v1c s ALA 34 CO -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 175.76 175.51 1v1c n ALA 35 N 4.59 0.99 -2.62 0.00 0.00 -1.26 -5.09 120.51 117.11 1v1c n ALA 35 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1v1c n ALA 35 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.99 3.27 0.61 0.00 3.76 -1.26 -4.94 115.29 114.73 1v1c s HIS 36 Ca 0.00 0.67 0.29 0.00 -0.15 0.00 0.00 55.06 55.87 1v1c s HIS 36 Cb 0.00 -2.75 1.58 0.00 1.11 0.00 0.00 32.58 32.52 1v1c s HIS 36 CO 0.00 -0.30 1.96 -1.35 -0.85 0.00 0.00 174.74 174.20 1v1c h PRO 37 N 8.00 0.00 0.53 8.40 0.11 -2.02 -2.78 132.00 144.25 1v1c h PRO 37 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1v1c h PRO 37 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1v1c h PRO 37 CO 0.73 0.00 -0.36 -0.07 -0.21 0.00 0.00 178.00 178.09 1v1c h LEU 38 N 0.00 -0.94 -7.70 2.35 -0.00 -1.95 -3.41 115.31 103.65 1v1c h LEU 38 Ca 0.12 0.06 -0.19 0.00 -0.00 0.00 0.00 57.88 57.87 1v1c h LEU 38 Cb 0.85 0.28 -0.25 0.00 -0.00 0.00 0.00 40.66 41.54 1v1c h LEU 38 CO -0.00 -0.54 -0.59 0.00 -0.00 0.00 0.00 178.44 177.31 1v1c s ARG 39 N -5.11 0.22 0.15 1.13 1.70 -1.05 -4.45 118.95 111.55 1v1c s ARG 39 Ca -0.14 -0.08 0.10 0.00 -0.47 0.00 0.00 55.73 55.15 1v1c s ARG 39 Cb 0.02 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1v1c s ARG 39 CO 0.44 -0.04 -0.24 -1.58 -1.08 0.00 0.00 175.30 172.79 1v1c s TRP 40 N -0.46 2.18 -0.28 5.89 0.51 -0.92 -4.47 118.94 121.38 1v1c s TRP 40 Ca -0.05 -0.39 -0.27 0.00 -2.12 0.00 0.00 56.10 53.27 1v1c s TRP 40 Cb -0.03 -1.15 0.01 0.00 -0.81 0.00 0.00 33.47 31.49 1v1c s TRP 40 CO 0.00 0.36 0.94 -1.17 -0.51 0.00 0.00 176.95 176.57 1v1c s LEU 41 N -2.26 4.04 0.05 2.99 2.96 -0.98 -2.42 118.68 123.06 1v1c s LEU 41 Ca 0.15 1.00 0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1v1c s LEU 41 Cb -0.09 -3.34 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 1v1c s LEU 41 CO 0.07 -0.69 -0.11 0.68 -1.32 0.00 0.00 176.35 174.98 1v1c s VAL 42 N 3.20 0.82 -0.09 1.68 -7.23 -1.21 -0.69 120.40 116.89 1v1c s VAL 42 Ca 0.39 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1v1c s VAL 42 Cb -0.14 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1v1c s VAL 42 CO 0.11 -0.25 -0.07 0.00 -0.31 0.00 0.00 175.10 174.58 1v1c s ARG 43 N -1.51 1.30 0.50 4.82 1.70 -1.22 -1.39 118.95 123.14 1v1c s ARG 43 Ca -0.05 -0.20 -0.21 0.00 -0.47 0.00 0.00 55.73 54.80 1v1c s ARG 43 Cb -0.09 -1.33 -0.07 0.00 -0.57 0.00 0.00 34.95 32.89 1v1c s ARG 43 CO 0.01 -0.18 1.13 0.95 -1.08 0.00 0.00 175.30 176.13 1v1c s THR 44 N 1.41 3.24 -0.20 4.99 -4.23 -1.03 -4.18 115.64 115.64 1v1c s THR 44 Ca -0.02 0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 61.04 1v1c s THR 44 Cb -0.13 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1v1c s THR 44 CO -0.04 -0.11 1.74 -0.54 -0.54 0.00 0.00 174.62 175.14 1v1c s LYS 45 N -3.03 3.72 0.75 3.99 1.02 -1.26 -4.37 119.74 120.55 1v1c s LYS 45 Ca 0.68 1.79 -0.12 0.00 0.02 0.00 0.00 55.97 58.35 1v1c s LYS 45 Cb -0.25 -4.10 0.05 0.00 -0.52 0.00 0.00 37.83 33.01 1v1c s LYS 45 CO 0.29 -1.40 1.11 -1.25 -0.92 0.00 0.00 175.35 173.18 1v1c s PRO 46 N 4.93 2.30 0.02 -1.68 0.04 -1.26 -5.04 135.00 134.30 1v1c s PRO 46 Ca 0.77 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1v1c s PRO 46 Cb -0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1v1c s PRO 46 CO 0.32 -1.63 0.01 0.25 0.04 0.00 0.00 177.00 175.99 1v1c n THR 47 N -3.24 0.00 1.60 1.26 -2.24 -0.60 -4.95 114.28 106.12 1v1c n THR 47 Ca 0.10 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1v1c n THR 47 Cb 0.52 -0.34 0.54 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.41 0.80 0.00 -0.78 5.02 -1.26 -3.21 118.16 118.32 1v1c n LYS 48 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1v1c n LYS 48 Cb 0.03 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.85 0.00 -4.19 4.39 3.41 -1.26 -5.07 113.62 110.05 1v1c n SER 49 Ca 0.14 -0.52 -0.34 0.00 -0.26 0.00 0.00 58.87 57.88 1v1c n SER 49 Cb 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.86 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 3.80 0.84 4.04 0.01 -1.20 -5.12 113.70 116.08 1v1c s SER 50 Ca 0.00 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.49 1v1c s SER 50 Cb 0.00 -1.60 0.10 0.00 0.21 0.00 0.00 66.02 64.73 1v1c s SER 50 CO 0.00 -0.04 1.13 -2.16 0.41 0.00 0.00 173.24 172.58 1v1c s PRO 51 N 1.34 1.60 -0.21 12.44 0.04 -1.26 -1.55 135.00 147.41 1v1c s PRO 51 Ca 0.03 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1v1c s PRO 51 Cb -0.15 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1v1c s PRO 51 CO -0.08 -2.18 1.26 -1.54 0.04 0.00 0.00 177.00 174.51 1v1c s SER 52 N -2.86 6.88 0.23 6.66 1.04 -1.26 -4.69 113.70 119.69 1v1c s SER 52 Ca 0.65 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.73 1v1c s SER 52 Cb -0.21 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.32 1v1c s SER 52 CO 0.56 -0.85 -0.18 -0.13 0.98 0.00 0.00 173.24 173.62 1v1c s ARG 53 N 3.67 1.74 -0.08 4.02 1.81 -1.26 -5.06 118.95 123.79 1v1c s ARG 53 Ca 0.54 -1.55 -0.05 0.00 -1.72 0.00 0.00 55.73 52.96 1v1c s ARG 53 Cb -0.20 -1.91 0.03 0.00 -0.45 0.00 0.00 34.95 32.43 1v1c s ARG 53 CO 0.16 0.38 0.18 1.14 -0.68 0.00 0.00 175.30 176.49 1v1c s GLN 54 N -3.06 0.17 0.01 3.54 -2.07 -1.26 -2.45 119.66 114.53 1v1c s GLN 54 Ca 0.25 0.35 -0.14 0.00 -1.82 0.00 0.00 55.36 54.00 1v1c s GLN 54 Cb -0.07 -0.04 0.02 0.00 -1.09 0.00 0.00 33.01 31.83 1v1c s GLN 54 CO 0.13 -0.10 0.30 0.20 -1.32 0.00 0.00 175.29 174.50 1v1c s GLY 55 N 0.69 -0.13 0.10 2.60 0.00 -0.49 -4.87 107.32 105.23 1v1c s GLY 55 Ca -0.05 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1v1c s GLY 55 CO -0.04 -0.05 1.19 -0.98 0.00 0.00 0.00 173.10 173.22 1v1c s TRP 56 N -1.88 3.45 0.30 1.90 0.52 -1.22 -3.30 118.94 118.71 1v1c s TRP 56 Ca -0.10 1.36 0.05 0.00 0.02 0.00 0.00 56.10 57.43 1v1c s TRP 56 Cb -0.03 -3.41 -0.06 0.00 -1.15 0.00 0.00 33.47 28.82 1v1c s TRP 56 CO 0.01 -1.20 0.01 0.14 0.02 0.00 0.00 176.95 175.93 1v1c s VAL 57 N 0.65 1.34 -0.36 4.03 -7.23 -1.02 -4.61 120.40 113.20 1v1c s VAL 57 Ca 0.56 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1v1c s VAL 57 Cb -0.30 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1v1c s VAL 57 CO 0.32 -0.15 0.31 -0.44 -0.31 0.00 0.00 175.10 174.82 1v1c s SER 58 N -3.45 6.12 0.00 4.85 0.01 -1.26 -2.18 113.70 117.79 1v1c s SER 58 Ca 0.33 -0.45 0.13 0.00 1.31 0.00 0.00 55.95 57.28 1v1c s SER 58 Cb 0.07 -2.17 0.64 0.00 0.21 0.00 0.00 66.02 64.77 1v1c s SER 58 CO 0.13 -0.33 1.38 -0.81 0.41 0.00 0.00 173.24 174.02 1v1c n PRO 59 N 5.26 0.13 0.00 12.44 -0.04 -1.26 -2.41 135.00 149.12 1v1c n PRO 59 Ca -0.11 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1v1c n PRO 59 Cb 0.49 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.36 2.26 -0.24 0.55 0.00 -1.26 -2.73 120.51 117.73 1v1c n ALA 60 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1v1c n ALA 60 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.24 0.00 -4.28 0.00 4.01 -1.01 -5.04 117.16 109.60 1v1c n TYR 61 Ca 0.13 -0.06 -0.31 0.00 -0.16 0.00 0.00 57.90 57.50 1v1c n TYR 61 Cb 0.17 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.12 3.29 0.01 7.72 1.02 -1.10 -4.35 118.68 125.16 1v1c s LEU 62 Ca 0.00 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.97 1v1c s LEU 62 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1v1c s LEU 62 CO 0.00 0.23 0.07 -0.62 0.02 0.00 0.00 176.35 176.05 1v1c s ASP 63 N -1.89 5.57 -0.20 2.29 2.15 -1.24 -4.94 116.67 118.41 1v1c s ASP 63 Ca 0.21 0.09 -0.29 0.00 0.43 0.00 0.00 52.55 52.99 1v1c s ASP 63 Cb -0.11 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 1v1c s ASP 63 CO 0.13 0.25 1.06 -0.60 -0.17 0.00 0.00 175.17 175.84 1v1c s ARG 64 N -1.85 4.28 -0.15 4.34 3.52 -1.26 -3.62 118.95 124.20 1v1c s ARG 64 Ca 0.24 1.40 -0.04 0.00 -0.13 0.00 0.00 55.73 57.19 1v1c s ARG 64 Cb -0.12 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.70 1v1c s ARG 64 CO 0.15 -0.58 0.11 0.50 -0.81 0.00 0.00 175.30 174.67 1v1c s ARG 65 N 3.02 0.06 0.03 5.12 3.52 -1.24 -5.04 118.95 124.42 1v1c s ARG 65 Ca 0.46 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 1v1c s ARG 65 Cb -0.16 -1.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 1v1c s ARG 65 CO 0.09 -0.60 -0.12 -0.48 -0.81 0.00 0.00 175.30 173.37 1v1c s LEU 66 N 2.18 2.14 -0.02 -0.88 -0.00 -1.26 -3.40 118.68 117.44 1v1c s LEU 66 Ca 0.03 -0.39 -0.30 0.00 -0.00 0.00 0.00 54.13 53.47 1v1c s LEU 66 Cb -0.15 -0.53 -0.07 0.00 -0.00 0.00 0.00 46.19 45.44 1v1c s LEU 66 CO -0.08 0.03 1.74 -0.75 -0.00 0.00 0.00 176.35 177.29 1v1c s LYS 67 N -0.94 4.17 0.00 1.48 2.20 -1.26 -5.12 119.74 120.27 1v1c s LYS 67 Ca 0.01 2.31 0.28 0.00 -0.36 0.00 0.00 55.97 58.21 1v1c s LYS 67 Cb -0.07 -4.01 1.66 0.00 -1.51 0.00 0.00 37.83 33.90 1v1c s LYS 67 CO 0.01 -0.87 2.00 1.28 -0.36 0.00 0.00 175.35 177.41