#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 2.10 -0.25 1.39 0.08 -1.26 -5.09 117.98 114.95 1v1c s PHE 2 Ca 0.00 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.97 1v1c s PHE 2 Cb 0.00 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.53 1v1c s PHE 2 CO 0.00 -1.46 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.06 1v1c s ASP 3 N -4.63 4.17 -0.36 1.36 1.11 -1.26 -4.92 116.67 112.14 1v1c s ASP 3 Ca 0.63 -1.29 -0.25 0.00 0.18 0.00 0.00 52.55 51.82 1v1c s ASP 3 Cb -0.07 -1.40 0.01 0.00 1.07 0.00 0.00 42.92 42.53 1v1c s ASP 3 CO 0.43 -0.20 0.87 -0.63 1.18 0.00 0.00 175.17 176.81 1v1c s ILE 4 N 1.22 4.65 0.26 0.77 1.01 -1.25 -1.53 121.20 126.33 1v1c s ILE 4 Ca -0.07 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.68 1v1c s ILE 4 Cb -0.19 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1v1c s ILE 4 CO -0.06 -0.49 0.42 -0.31 0.00 0.00 0.00 174.94 174.51 1v1c s TYR 5 N 3.31 3.47 0.00 3.97 1.51 -0.49 -3.29 117.35 125.83 1v1c s TYR 5 Ca 0.35 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.64 1v1c s TYR 5 Cb -0.12 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1v1c s TYR 5 CO 0.18 0.34 -0.20 0.54 -1.11 0.00 0.00 175.55 175.29 1v1c s VAL 6 N -2.05 1.60 -0.49 0.71 0.11 -1.22 -2.60 120.40 116.46 1v1c s VAL 6 Ca 0.37 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 58.22 1v1c s VAL 6 Cb -0.10 -1.35 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1v1c s VAL 6 CO 0.31 0.38 0.91 -0.69 -3.33 0.00 0.00 175.10 172.69 1v1c s VAL 7 N -0.56 4.47 -0.39 2.04 1.01 -1.23 -3.51 120.40 122.23 1v1c s VAL 7 Ca 0.08 0.56 0.15 0.00 0.00 0.00 0.00 61.98 62.77 1v1c s VAL 7 Cb -0.08 -4.45 0.51 0.00 0.00 0.00 0.00 36.38 32.36 1v1c s VAL 7 CO -0.00 -0.91 1.42 0.35 0.00 0.00 0.00 175.10 175.96 1v1c n THR 8 N 6.32 2.02 -1.30 3.92 -2.24 -1.26 -0.88 114.28 120.87 1v1c n THR 8 Ca 0.04 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1v1c n THR 8 Cb 0.48 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.13 1.23 -1.28 6.98 0.00 -1.26 -5.06 120.51 120.98 1v1c n ALA 9 Ca 0.20 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1v1c n ALA 9 Cb 0.82 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 -6.93 -3.32 0.00 2.03 -1.26 -4.98 116.55 102.09 1v1c n ASP 10 Ca 0.00 1.47 -0.12 0.00 0.52 0.00 0.00 54.79 56.66 1v1c n ASP 10 Cb 0.54 -4.11 -0.06 0.00 -0.72 0.00 0.00 41.12 36.77 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 -4.88 -0.73 -0.29 -0.67 5.04 -1.25 -4.91 117.35 109.66 1v1c s TYR 11 Ca 0.00 -0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1v1c s TYR 11 Cb 0.00 -0.23 0.06 0.00 0.35 0.00 0.00 41.96 42.14 1v1c s TYR 11 CO 0.00 -1.00 -0.02 -0.51 -1.34 0.00 0.00 175.55 172.67 1v1c s LEU 12 N 1.86 3.85 -0.01 6.97 1.43 -1.26 -3.11 118.68 128.40 1v1c s LEU 12 Ca 0.14 -1.36 -0.32 0.00 -1.03 0.00 0.00 54.13 51.56 1v1c s LEU 12 Cb -0.13 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 1v1c s LEU 12 CO -0.13 -0.25 1.94 -2.65 0.23 0.00 0.00 176.35 175.48 1v1c n PRO 13 N 4.56 2.58 -2.84 1.29 -0.02 -1.26 -4.92 135.00 134.39 1v1c n PRO 13 Ca -0.12 0.95 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1v1c n PRO 13 Cb 0.43 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 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 4.29 4.46 0.00 2.45 1.43 -1.26 -4.85 118.68 125.19 1v1c s LEU 14 Ca 0.91 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1v1c s LEU 14 Cb -0.54 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1v1c s LEU 14 CO 0.46 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 176.29 1v1c n GLY 15 N 5.48 0.76 3.10 -3.19 0.00 -1.26 -4.88 105.19 105.20 1v1c n GLY 15 Ca 0.06 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 2.69 -0.18 4.61 0.00 -1.26 -5.09 121.76 120.52 1v1c s ALA 16 Ca 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1v1c s ALA 16 Cb 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1v1c s ALA 16 CO 0.00 -1.28 -0.02 -1.21 0.00 0.00 0.00 175.76 173.26 1v1c s GLU 17 N 1.13 3.62 0.23 0.00 0.41 -1.26 -5.10 118.70 117.74 1v1c s GLU 17 Ca -0.06 -0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 53.72 1v1c s GLU 17 Cb -0.20 -3.01 -0.09 0.00 -1.78 0.00 0.00 34.13 29.05 1v1c s GLU 17 CO -0.04 0.09 0.84 -1.14 -0.49 0.00 0.00 175.26 174.52 1v1c s GLN 18 N 0.78 4.57 -1.91 1.61 2.00 -1.26 -3.61 119.66 121.84 1v1c s GLN 18 Ca -0.00 1.21 0.00 0.00 -2.00 0.00 0.00 55.36 54.57 1v1c s GLN 18 Cb -0.14 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.60 1v1c s GLN 18 CO 0.02 0.45 0.00 -0.25 -0.50 0.00 0.00 175.29 175.01 1v1c n ASP 19 N 1.12 -5.47 -4.64 6.67 8.00 -1.26 -4.98 116.55 115.99 1v1c n ASP 19 Ca -0.02 0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1v1c n ASP 19 Cb 0.49 -4.62 -0.07 0.00 -0.02 0.00 0.00 41.12 36.90 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 -2.83 3.15 0.03 2.24 0.00 -1.24 -3.16 121.76 119.95 1v1c s ALA 20 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.41 1v1c s ALA 20 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1v1c s ALA 20 CO 0.00 0.31 -0.13 -1.50 0.00 0.00 0.00 175.76 174.44 1v1c s ILE 21 N -2.19 1.05 0.45 0.00 2.07 -1.26 -4.86 121.20 116.46 1v1c s ILE 21 Ca 0.30 -0.89 -0.21 0.00 -1.41 0.00 0.00 60.65 58.44 1v1c s ILE 21 Cb -0.07 -0.94 -0.10 0.00 0.13 0.00 0.00 42.46 41.48 1v1c s ILE 21 CO 0.19 0.05 0.99 0.42 -1.91 0.00 0.00 174.94 174.68 1v1c s THR 22 N -0.75 4.14 0.02 4.00 -4.23 -1.26 -4.93 115.64 112.64 1v1c s THR 22 Ca 0.02 1.34 -0.09 0.00 -1.18 0.00 0.00 61.69 61.78 1v1c s THR 22 Cb -0.07 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1v1c s THR 22 CO 0.01 -0.29 0.17 -0.76 -0.54 0.00 0.00 174.62 173.21 1v1c s LEU 23 N -3.30 1.46 -0.03 4.79 1.43 -1.18 -5.12 118.68 116.72 1v1c s LEU 23 Ca 0.64 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1v1c s LEU 23 Cb -0.12 0.83 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 1v1c s LEU 23 CO 0.16 -0.47 -0.24 -0.13 0.23 0.00 0.00 176.35 175.89 1v1c s ARG 24 N -2.04 2.26 -0.57 1.70 1.81 -1.26 -3.85 118.95 117.00 1v1c s ARG 24 Ca -0.09 -0.89 -0.27 0.00 -1.72 0.00 0.00 55.73 52.76 1v1c s ARG 24 Cb -0.04 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.26 1v1c s ARG 24 CO -0.01 0.53 2.46 -1.91 -0.68 0.00 0.00 175.30 175.68 1v1c n GLU 25 N 2.54 0.89 0.00 3.54 2.13 -1.26 -1.81 120.64 126.66 1v1c n GLU 25 Ca -0.16 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1v1c n GLU 25 Cb 0.51 -3.19 0.00 0.00 0.27 0.00 0.00 31.44 29.03 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 6.09 1.38 3.95 8.31 0.00 -0.06 -4.94 105.19 119.92 1v1c n GLY 26 Ca 0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 3.27 -0.05 1.61 -1.52 -0.75 -4.93 119.66 117.29 1v1c s GLN 27 Ca 0.00 -0.87 0.05 0.00 -1.95 0.00 0.00 55.36 52.59 1v1c s GLN 27 Cb 0.00 -2.82 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1v1c s GLN 27 CO 0.00 0.33 -0.21 0.71 -0.25 0.00 0.00 175.29 175.87 1v1c s TYR 28 N -2.06 2.11 -0.29 0.91 2.02 -1.26 -3.50 117.35 115.28 1v1c s TYR 28 Ca 0.37 -0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 1v1c s TYR 28 Cb -0.09 -1.40 0.11 0.00 -0.40 0.00 0.00 41.96 40.18 1v1c s TYR 28 CO 0.29 -0.20 0.65 0.54 -1.57 0.00 0.00 175.55 175.26 1v1c s VAL 29 N -0.05 -0.64 0.51 0.71 0.11 -1.07 -4.35 120.40 115.62 1v1c s VAL 29 Ca -0.04 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 1v1c s VAL 29 Cb -0.13 -0.98 -0.08 0.00 -1.53 0.00 0.00 36.38 33.66 1v1c s VAL 29 CO 0.03 0.00 0.99 -1.83 -3.33 0.00 0.00 175.10 170.97 1v1c s GLU 30 N 2.44 3.91 -0.01 1.54 -1.05 -1.26 -1.40 118.70 122.88 1v1c s GLU 30 Ca -0.07 1.05 -0.19 0.00 -0.15 0.00 0.00 54.97 55.61 1v1c s GLU 30 Cb -0.10 -2.13 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 1v1c s GLU 30 CO -0.19 -0.31 0.54 0.54 0.95 0.00 0.00 175.26 176.79 1v1c s VAL 31 N -2.46 4.95 -0.04 1.83 0.11 -0.58 -2.68 120.40 121.52 1v1c s VAL 31 Ca 0.61 1.12 -0.02 0.00 -2.93 0.00 0.00 61.98 60.76 1v1c s VAL 31 Cb -0.11 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 1v1c s VAL 31 CO 0.27 0.45 -0.03 -0.07 -3.33 0.00 0.00 175.10 172.39 1v1c h LEU 32 N 5.49 0.00 -8.08 2.54 3.38 -1.26 -3.39 115.31 113.98 1v1c h LEU 32 Ca -0.46 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.31 1v1c h LEU 32 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 1v1c h LEU 32 CO 0.68 0.22 -0.71 -1.81 0.09 0.00 0.00 178.44 176.92 1v1c s ASP 33 N -4.10 0.47 -0.41 -0.43 1.11 -1.16 -5.04 116.67 107.10 1v1c s ASP 33 Ca -0.03 -0.60 -0.13 0.00 0.18 0.00 0.00 52.55 51.98 1v1c s ASP 33 Cb 0.00 0.09 0.04 0.00 1.07 0.00 0.00 42.92 44.13 1v1c s ASP 33 CO 0.04 -0.32 0.28 0.00 1.18 0.00 0.00 175.17 176.35 1v1c s ALA 34 N -1.83 3.40 0.00 5.23 0.00 -1.26 -1.27 121.76 126.02 1v1c s ALA 34 Ca -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 49.99 1v1c s ALA 34 Cb -0.07 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1v1c s ALA 34 CO -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 175.76 174.22 1v1c n ALA 35 N 5.08 0.00 -2.53 0.00 0.00 -1.26 -5.00 120.51 116.79 1v1c n ALA 35 Ca -0.11 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1v1c n ALA 35 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.21 2.73 0.64 0.00 3.76 -1.23 -5.00 115.29 115.98 1v1c s HIS 36 Ca 0.00 -0.15 0.35 0.00 -0.15 0.00 0.00 55.06 55.11 1v1c s HIS 36 Cb 0.00 -1.53 1.93 0.00 1.11 0.00 0.00 32.58 34.09 1v1c s HIS 36 CO 0.00 0.32 2.13 -1.35 -0.85 0.00 0.00 174.74 175.00 1v1c h PRO 37 N 4.44 0.00 -0.02 8.40 0.11 -2.03 -2.04 132.00 140.86 1v1c h PRO 37 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1v1c h PRO 37 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1v1c h PRO 37 CO 0.51 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.22 1v1c h LEU 38 N 0.00 0.05 -7.37 2.35 4.07 -1.97 -3.46 115.31 108.99 1v1c h LEU 38 Ca 0.03 -0.44 -0.18 0.00 0.08 0.00 0.00 57.88 57.36 1v1c h LEU 38 Cb 0.38 -0.01 -0.29 0.00 1.08 0.00 0.00 40.66 41.82 1v1c h LEU 38 CO -0.00 0.48 -0.45 0.00 -1.08 0.00 0.00 178.44 177.39 1v1c s ARG 39 N -4.44 0.24 0.17 1.13 1.70 -0.77 -4.29 118.95 112.70 1v1c s ARG 39 Ca -0.15 0.51 0.05 0.00 -0.47 0.00 0.00 55.73 55.66 1v1c s ARG 39 Cb 0.02 -0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 1v1c s ARG 39 CO 0.68 -0.13 0.20 -1.58 -1.08 0.00 0.00 175.30 173.39 1v1c s TRP 40 N 1.02 3.26 -0.08 5.89 0.51 -1.15 -3.53 118.94 124.87 1v1c s TRP 40 Ca -0.07 0.01 -0.30 0.00 -2.12 0.00 0.00 56.10 53.62 1v1c s TRP 40 Cb -0.08 -1.55 -0.02 0.00 -0.81 0.00 0.00 33.47 31.01 1v1c s TRP 40 CO -0.07 0.51 1.03 -1.17 -0.51 0.00 0.00 176.95 176.74 1v1c s LEU 41 N -3.29 4.27 0.05 2.99 2.96 -0.40 -3.20 118.68 122.06 1v1c s LEU 41 Ca 0.32 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1v1c s LEU 41 Cb -0.10 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1v1c s LEU 41 CO 0.25 -0.43 -0.05 0.68 -1.32 0.00 0.00 176.35 175.49 1v1c s VAL 42 N 1.85 0.32 -0.10 1.68 -7.23 -1.24 -0.72 120.40 114.97 1v1c s VAL 42 Ca 0.50 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1v1c s VAL 42 Cb -0.20 -0.90 0.05 0.00 0.56 0.00 0.00 36.38 35.89 1v1c s VAL 42 CO 0.20 -0.67 0.11 -0.60 -0.31 0.00 0.00 175.10 173.83 1v1c s ARG 43 N -2.54 0.01 0.77 4.82 3.52 -1.09 -2.11 118.95 122.34 1v1c s ARG 43 Ca -0.04 0.33 -0.14 0.00 -0.13 0.00 0.00 55.73 55.74 1v1c s ARG 43 Cb -0.03 -0.78 0.05 0.00 -1.56 0.00 0.00 34.95 32.64 1v1c s ARG 43 CO -0.04 -0.42 1.13 0.25 -0.81 0.00 0.00 175.30 175.41 1v1c n THR 44 N 5.31 2.50 -3.32 4.11 -2.24 -0.84 -4.08 114.28 115.71 1v1c n THR 44 Ca -0.05 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 1v1c n THR 44 Cb 0.50 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 1v1c n THR 44 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v1c s LYS 45 N -3.82 4.28 0.46 -0.78 1.02 -1.26 -4.35 119.74 115.28 1v1c s LYS 45 Ca 0.74 0.49 -0.21 0.00 0.02 0.00 0.00 55.97 57.00 1v1c s LYS 45 Cb -0.31 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.52 1v1c s LYS 45 CO 0.50 0.26 1.02 -1.25 -0.92 0.00 0.00 175.35 174.97 1v1c s PRO 46 N 0.27 3.95 -0.01 -1.68 0.04 -1.26 -4.96 135.00 131.36 1v1c s PRO 46 Ca 0.26 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1v1c s PRO 46 Cb -0.16 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1v1c s PRO 46 CO 0.12 -0.30 0.01 -0.08 0.04 0.00 0.00 177.00 176.79 1v1c s THR 47 N -1.94 -0.00 0.00 1.26 -1.32 -1.24 -4.96 115.64 107.43 1v1c s THR 47 Ca 0.64 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1v1c s THR 47 Cb -0.16 -0.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1v1c s THR 47 CO 0.20 0.04 0.00 1.17 -2.21 0.00 0.00 174.62 173.83 1v1c n LYS 48 N 3.53 0.00 -0.12 7.08 0.00 -1.26 -1.26 118.16 126.13 1v1c n LYS 48 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.12 1v1c n LYS 48 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 1v1c n LYS 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1v1c n SER 49 N 2.20 0.00 -4.66 3.14 2.88 -1.26 -5.09 113.62 110.84 1v1c n SER 49 Ca 0.00 -1.15 -0.43 0.00 -1.33 0.00 0.00 58.87 55.97 1v1c n SER 49 Cb 0.00 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.15 7.05 0.45 -3.46 0.01 -0.39 -5.01 113.70 112.20 1v1c s SER 50 Ca 0.00 1.31 -0.25 0.00 1.31 0.00 0.00 55.95 58.32 1v1c s SER 50 Cb 0.00 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1v1c s SER 50 CO 0.00 -0.61 1.44 -2.16 0.41 0.00 0.00 173.24 172.32 1v1c s PRO 51 N 3.01 3.71 -0.10 12.44 0.04 -1.26 -3.66 135.00 149.17 1v1c s PRO 51 Ca 0.42 2.46 -0.28 0.00 0.04 0.00 0.00 61.00 63.64 1v1c s PRO 51 Cb -0.15 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1v1c s PRO 51 CO 0.07 -0.81 0.91 -1.54 0.04 0.00 0.00 177.00 175.67 1v1c s SER 52 N -0.45 7.15 0.06 6.66 1.04 -1.26 -4.83 113.70 122.07 1v1c s SER 52 Ca 0.60 1.40 0.04 0.00 0.48 0.00 0.00 55.95 58.48 1v1c s SER 52 Cb -0.44 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.13 1v1c s SER 52 CO 0.58 -0.37 -0.03 -0.13 0.98 0.00 0.00 173.24 174.27 1v1c s ARG 53 N 1.77 2.52 -0.11 4.02 1.81 -1.26 -4.99 118.95 122.71 1v1c s ARG 53 Ca 0.45 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.67 1v1c s ARG 53 Cb -0.18 -2.52 0.01 0.00 -0.45 0.00 0.00 34.95 31.81 1v1c s ARG 53 CO 0.18 0.56 -0.18 -1.14 -0.68 0.00 0.00 175.30 174.04 1v1c s GLN 54 N -2.01 2.48 0.00 3.54 -0.44 -1.26 -1.99 119.66 119.98 1v1c s GLN 54 Ca 0.23 -0.67 -0.17 0.00 -2.50 0.00 0.00 55.36 52.24 1v1c s GLN 54 Cb -0.11 -2.01 0.03 0.00 -1.64 0.00 0.00 33.01 29.28 1v1c s GLN 54 CO 0.14 0.02 0.38 0.20 0.50 0.00 0.00 175.29 176.53 1v1c s GLY 55 N 0.75 -0.23 0.16 2.59 0.00 -0.90 -4.92 107.32 104.78 1v1c s GLY 55 Ca -0.11 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 1v1c s GLY 55 CO 0.02 0.16 1.04 -0.98 0.00 0.00 0.00 173.10 173.34 1v1c s TRP 56 N -1.74 3.70 0.24 1.90 0.52 -1.19 -3.59 118.94 118.77 1v1c s TRP 56 Ca -0.10 1.70 0.03 0.00 0.02 0.00 0.00 56.10 57.75 1v1c s TRP 56 Cb -0.03 -3.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.06 1v1c s TRP 56 CO 0.02 -0.24 0.01 0.14 0.02 0.00 0.00 176.95 176.90 1v1c s VAL 57 N -0.24 1.01 -0.26 4.03 -7.23 -1.19 -4.17 120.40 112.34 1v1c s VAL 57 Ca 0.48 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 1v1c s VAL 57 Cb -0.27 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1v1c s VAL 57 CO 0.33 -0.29 0.52 -0.44 -0.31 0.00 0.00 175.10 174.91 1v1c s SER 58 N -3.31 6.44 0.00 4.85 0.01 -1.26 -2.91 113.70 117.51 1v1c s SER 58 Ca 0.29 0.51 0.19 0.00 1.31 0.00 0.00 55.95 58.26 1v1c s SER 58 Cb 0.06 -2.28 1.04 0.00 0.21 0.00 0.00 66.02 65.05 1v1c s SER 58 CO 0.09 -0.30 1.58 -0.81 0.41 0.00 0.00 173.24 174.22 1v1c n PRO 59 N 5.56 0.40 0.00 12.44 -0.04 -1.26 -2.85 135.00 149.24 1v1c n PRO 59 Ca -0.04 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1v1c n PRO 59 Cb 0.50 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.18 2.22 -0.40 0.55 0.00 -1.26 -2.72 120.51 117.72 1v1c n ALA 60 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1v1c n ALA 60 Cb 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.25 0.00 -4.44 0.00 4.01 -1.13 -5.03 117.16 109.31 1v1c n TYR 61 Ca 0.12 -0.20 -0.34 0.00 -0.16 0.00 0.00 57.90 57.32 1v1c n TYR 61 Cb 0.17 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.41 3.24 0.03 7.72 1.02 -1.10 -4.11 118.68 125.08 1v1c s LEU 62 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.07 1v1c s LEU 62 Cb 0.00 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 1v1c s LEU 62 CO 0.00 0.20 -0.02 -1.81 0.02 0.00 0.00 176.35 174.74 1v1c s ASP 63 N 0.17 4.94 0.13 2.29 1.11 -1.23 -4.94 116.67 119.14 1v1c s ASP 63 Ca -0.02 -0.11 -0.31 0.00 0.18 0.00 0.00 52.55 52.29 1v1c s ASP 63 Cb -0.14 -1.21 -0.10 0.00 1.07 0.00 0.00 42.92 42.54 1v1c s ASP 63 CO 0.03 0.24 1.71 -0.13 1.18 0.00 0.00 175.17 178.21 1v1c s ARG 64 N -1.78 4.17 -0.04 8.23 0.52 -1.26 -3.41 118.95 125.38 1v1c s ARG 64 Ca 0.21 2.48 -0.02 0.00 -0.52 0.00 0.00 55.73 57.87 1v1c s ARG 64 Cb -0.11 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 31.94 1v1c s ARG 64 CO 0.12 -0.75 0.09 0.50 0.02 0.00 0.00 175.30 175.28 1v1c s ARG 65 N 2.17 0.08 0.00 3.54 3.52 -1.21 -4.98 118.95 122.07 1v1c s ARG 65 Ca 0.76 0.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.56 1v1c s ARG 65 Cb -0.44 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1v1c s ARG 65 CO 0.33 -0.06 -0.03 -0.48 -0.81 0.00 0.00 175.30 174.26 1v1c s LEU 66 N 0.40 3.38 0.52 -0.88 0.05 -1.26 -3.92 118.68 116.97 1v1c s LEU 66 Ca -0.03 -0.06 -0.04 0.00 0.05 0.00 0.00 54.13 54.05 1v1c s LEU 66 Cb -0.04 -1.94 -0.01 0.00 -2.05 0.00 0.00 46.19 42.15 1v1c s LEU 66 CO -0.02 0.28 0.80 -1.59 -0.55 0.00 0.00 176.35 175.28 1v1c s LYS 67 N -1.51 3.13 0.00 1.48 0.00 -1.26 -5.10 119.74 116.47 1v1c s LYS 67 Ca 0.19 -0.09 0.31 0.00 0.00 0.00 0.00 55.97 56.38 1v1c s LYS 67 Cb -0.11 -2.38 1.73 0.00 0.00 0.00 0.00 37.83 37.07 1v1c s LYS 67 CO 0.09 -0.44 2.13 -0.11 0.00 0.00 0.00 175.35 177.02