#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 3.48 -0.23 1.39 0.08 -1.26 -5.04 117.98 116.40 1v1c s PHE 2 Ca 0.00 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.43 1v1c s PHE 2 Cb 0.00 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1v1c s PHE 2 CO 0.00 0.28 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.77 1v1c s ASP 3 N -3.48 3.86 -0.44 1.36 1.11 -1.26 -4.88 116.67 112.94 1v1c s ASP 3 Ca 0.39 -1.10 -0.26 0.00 0.18 0.00 0.00 52.55 51.76 1v1c s ASP 3 Cb -0.10 -1.41 0.02 0.00 1.07 0.00 0.00 42.92 42.50 1v1c s ASP 3 CO 0.31 -0.15 0.95 -0.63 1.18 0.00 0.00 175.17 176.83 1v1c s ILE 4 N 1.25 4.47 0.06 0.77 1.01 -1.26 -1.36 121.20 126.14 1v1c s ILE 4 Ca -0.04 0.89 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 1v1c s ILE 4 Cb -0.18 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 37.81 1v1c s ILE 4 CO -0.07 -0.79 0.38 -0.31 0.00 0.00 0.00 174.94 174.15 1v1c s TYR 5 N 3.77 3.59 -0.11 3.97 1.51 -0.69 -2.98 117.35 126.42 1v1c s TYR 5 Ca 0.38 0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 57.17 1v1c s TYR 5 Cb -0.10 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1v1c s TYR 5 CO 0.25 0.54 0.05 0.54 -1.11 0.00 0.00 175.55 175.83 1v1c s VAL 6 N -1.36 4.76 -0.43 0.71 0.11 -1.01 -2.99 120.40 120.21 1v1c s VAL 6 Ca 0.31 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.10 1v1c s VAL 6 Cb -0.14 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1v1c s VAL 6 CO 0.17 0.60 0.57 -0.69 -3.33 0.00 0.00 175.10 172.42 1v1c s VAL 7 N -0.83 4.92 -0.16 2.04 1.01 -1.12 -3.16 120.40 123.11 1v1c s VAL 7 Ca 0.13 -0.00 0.17 0.00 0.00 0.00 0.00 61.98 62.28 1v1c s VAL 7 Cb -0.12 -4.14 0.37 0.00 0.00 0.00 0.00 36.38 32.49 1v1c s VAL 7 CO 0.03 -0.51 1.23 0.35 0.00 0.00 0.00 175.10 176.20 1v1c n THR 8 N 5.69 2.04 -0.09 3.92 -2.24 -1.26 -0.80 114.28 121.55 1v1c n THR 8 Ca -0.04 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 1v1c n THR 8 Cb 0.48 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.18 1.97 -3.35 6.98 0.00 -1.26 -5.03 120.51 118.63 1v1c n ALA 9 Ca 0.18 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1v1c n ALA 9 Cb 0.72 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.38 -6.63 -4.55 0.00 2.03 -1.26 -4.86 116.55 100.89 1v1c n ASP 10 Ca 0.00 -0.48 -0.41 0.00 0.52 0.00 0.00 54.79 54.42 1v1c n ASP 10 Cb 0.23 -4.12 -0.03 0.00 -0.72 0.00 0.00 41.12 36.48 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 -3.09 2.37 -0.27 -0.67 6.14 -1.26 -4.85 117.35 115.72 1v1c s TYR 11 Ca 0.10 -0.37 -0.03 0.00 0.64 0.00 0.00 57.07 57.41 1v1c s TYR 11 Cb -0.03 -4.64 0.03 0.00 0.42 0.00 0.00 41.96 37.74 1v1c s TYR 11 CO 0.80 -2.02 -0.01 -1.17 0.64 0.00 0.00 175.55 173.79 1v1c s LEU 12 N 5.54 3.53 0.65 6.97 2.96 -1.26 -3.79 118.68 133.27 1v1c s LEU 12 Ca 0.41 -0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 53.21 1v1c s LEU 12 Cb -0.05 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1v1c s LEU 12 CO 0.04 -0.18 1.19 -2.65 -1.32 0.00 0.00 176.35 173.43 1v1c n PRO 13 N 4.71 1.00 -2.90 0.98 -0.02 -1.26 -4.93 135.00 132.58 1v1c n PRO 13 Ca -0.15 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1v1c n PRO 13 Cb 0.46 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1v1c n PRO 13 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1v1c s LEU 14 N -3.76 4.75 0.00 2.45 0.05 -1.26 -4.91 118.68 116.00 1v1c s LEU 14 Ca 0.81 -1.53 0.00 0.00 0.05 0.00 0.00 54.13 53.46 1v1c s LEU 14 Cb -0.38 -2.41 0.00 0.00 -2.05 0.00 0.00 46.19 41.35 1v1c s LEU 14 CO 0.42 -1.24 0.00 0.61 -0.55 0.00 0.00 176.35 175.59 1v1c n GLY 15 N 5.44 3.42 3.38 -3.48 0.00 -1.26 -4.41 105.19 108.28 1v1c n GLY 15 Ca 0.10 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.48 3.34 -0.18 4.61 0.00 -1.26 -5.06 121.76 121.73 1v1c s ALA 16 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.13 1v1c s ALA 16 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1v1c s ALA 16 CO 0.00 -1.48 -0.14 -2.00 0.00 0.00 0.00 175.76 172.14 1v1c s GLU 17 N 1.57 3.17 0.52 0.00 2.12 -1.26 -5.11 118.70 119.71 1v1c s GLU 17 Ca 0.03 -0.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.40 1v1c s GLU 17 Cb -0.20 -2.70 -0.06 0.00 0.26 0.00 0.00 34.13 31.43 1v1c s GLU 17 CO 0.07 -0.13 1.22 -0.65 -0.54 0.00 0.00 175.26 175.23 1v1c s GLN 18 N 1.18 3.38 -1.89 4.30 -0.21 -1.26 -2.62 119.66 122.53 1v1c s GLN 18 Ca 0.02 1.89 0.00 0.00 0.02 0.00 0.00 55.36 57.29 1v1c s GLN 18 Cb -0.14 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.65 1v1c s GLN 18 CO -0.06 -0.90 0.00 -0.25 -2.12 0.00 0.00 175.29 171.96 1v1c n ASP 19 N -0.96 -5.17 -4.41 5.90 9.92 -1.26 -4.96 116.55 115.62 1v1c n ASP 19 Ca 0.10 0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 54.43 1v1c n ASP 19 Cb 0.48 -4.51 -0.11 0.00 -0.64 0.00 0.00 41.12 36.34 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 2.43 -0.02 2.24 0.00 -1.08 -3.31 121.76 119.30 1v1c s ALA 20 Ca 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.37 1v1c s ALA 20 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1v1c s ALA 20 CO 0.00 0.37 -0.16 -1.50 0.00 0.00 0.00 175.76 174.47 1v1c s ILE 21 N -1.84 1.27 0.29 0.00 2.07 -1.26 -4.91 121.20 116.81 1v1c s ILE 21 Ca 0.20 -0.66 -0.30 0.00 -1.41 0.00 0.00 60.65 58.48 1v1c s ILE 21 Cb -0.07 -1.07 -0.12 0.00 0.13 0.00 0.00 42.46 41.33 1v1c s ILE 21 CO 0.10 0.36 1.53 1.07 -1.91 0.00 0.00 174.94 176.09 1v1c n THR 22 N 2.88 1.12 -3.91 4.00 5.66 -1.26 -4.85 114.28 117.92 1v1c n THR 22 Ca -0.16 -0.28 -0.09 0.00 -3.05 0.00 0.00 64.05 60.47 1v1c n THR 22 Cb 0.54 -1.84 -0.09 0.00 -1.55 0.00 0.00 70.33 67.39 1v1c n THR 22 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1v1c s LEU 23 N -0.48 1.68 0.03 1.09 1.43 -1.25 -5.08 118.68 116.11 1v1c s LEU 23 Ca 0.64 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1v1c s LEU 23 Cb -0.53 0.74 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1v1c s LEU 23 CO 0.50 -0.57 -0.02 -0.13 0.23 0.00 0.00 176.35 176.36 1v1c s ARG 24 N -2.96 0.46 -0.61 1.70 0.52 -1.26 -4.23 118.95 112.57 1v1c s ARG 24 Ca -0.02 -0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 1v1c s ARG 24 Cb 0.01 0.16 -0.07 0.00 0.52 0.00 0.00 34.95 35.58 1v1c s ARG 24 CO -0.06 -0.08 2.23 -2.00 0.02 0.00 0.00 175.30 175.40 1v1c s GLU 25 N -2.63 2.18 0.00 3.54 2.12 -1.26 -2.14 118.70 120.52 1v1c s GLU 25 Ca -0.05 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1v1c s GLU 25 Cb -0.01 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.76 1v1c s GLU 25 CO -0.05 -3.37 0.00 0.41 -0.54 0.00 0.00 175.26 171.71 1v1c n GLY 26 N 6.15 1.06 3.87 -1.50 0.00 0.02 -4.95 105.19 109.84 1v1c n GLY 26 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 3.30 -0.05 1.61 -1.52 -0.91 -4.93 119.66 117.16 1v1c s GLN 27 Ca 0.00 -0.43 0.06 0.00 -1.95 0.00 0.00 55.36 53.04 1v1c s GLN 27 Cb 0.00 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.78 1v1c s GLN 27 CO 0.00 0.64 -0.22 0.71 -0.25 0.00 0.00 175.29 176.18 1v1c s TYR 28 N -1.35 2.50 -0.28 0.91 2.02 -1.26 -2.77 117.35 117.11 1v1c s TYR 28 Ca 0.29 -0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 1v1c s TYR 28 Cb -0.13 -1.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 1v1c s TYR 28 CO 0.20 -0.05 0.64 0.54 -1.57 0.00 0.00 175.55 175.31 1v1c s VAL 29 N -0.42 -0.54 0.57 0.71 0.11 -1.16 -4.36 120.40 115.31 1v1c s VAL 29 Ca 0.04 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1v1c s VAL 29 Cb -0.12 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1v1c s VAL 29 CO 0.01 0.01 1.05 -1.83 -3.33 0.00 0.00 175.10 171.02 1v1c s GLU 30 N 2.32 3.43 -0.10 1.54 -1.05 -1.25 -1.71 118.70 121.88 1v1c s GLU 30 Ca -0.07 1.25 -0.13 0.00 -0.15 0.00 0.00 54.97 55.87 1v1c s GLU 30 Cb -0.09 -2.05 -0.05 0.00 -0.44 0.00 0.00 34.13 31.51 1v1c s GLU 30 CO -0.19 -0.72 0.29 0.54 0.95 0.00 0.00 175.26 176.13 1v1c s VAL 31 N -2.33 5.27 -0.04 1.83 0.11 -0.46 -2.08 120.40 122.70 1v1c s VAL 31 Ca 0.65 0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 60.23 1v1c s VAL 31 Cb -0.16 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.07 1v1c s VAL 31 CO 0.33 0.50 -0.05 0.18 -3.33 0.00 0.00 175.10 172.72 1v1c n LEU 32 N 2.71 0.48 -4.75 2.54 4.77 0.30 -4.19 117.00 118.87 1v1c n LEU 32 Ca -0.14 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 1v1c n LEU 32 Cb 0.53 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1v1c n LEU 32 CO 0.37 -0.49 -0.28 -1.81 -1.33 0.00 0.00 177.39 173.86 1v1c s ASP 33 N -4.15 5.47 -0.12 -1.43 1.11 -1.13 -5.00 116.67 111.41 1v1c s ASP 33 Ca -0.04 0.08 0.15 0.00 0.18 0.00 0.00 52.55 52.92 1v1c s ASP 33 Cb 0.01 -1.52 0.46 0.00 1.07 0.00 0.00 42.92 42.94 1v1c s ASP 33 CO 0.06 0.27 1.38 0.00 1.18 0.00 0.00 175.17 178.06 1v1c n ALA 34 N 1.23 2.75 -1.77 5.23 0.00 -1.26 -2.20 120.51 124.49 1v1c n ALA 34 Ca -0.13 -1.94 -0.42 0.00 0.00 0.00 0.00 53.44 50.94 1v1c n ALA 34 Cb 0.53 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1v1c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1c s ALA 35 N -2.26 3.89 -0.09 0.00 0.00 -1.26 -4.32 121.76 117.72 1v1c s ALA 35 Ca 0.36 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.80 1v1c s ALA 35 Cb 0.27 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1v1c s ALA 35 CO 0.11 -0.90 0.13 1.58 0.00 0.00 0.00 175.76 176.68 1v1c n HIS 36 N 3.78 -4.44 0.22 0.00 -0.00 -1.26 -4.55 115.22 108.97 1v1c n HIS 36 Ca 0.15 2.61 0.18 0.00 -0.00 0.00 0.00 57.72 60.66 1v1c n HIS 36 Cb 0.36 -3.79 0.82 0.00 -0.00 0.00 0.00 29.99 27.37 1v1c n HIS 36 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1v1c h PRO 37 N 3.97 0.00 0.19 1.57 0.11 -2.02 -2.55 132.00 133.27 1v1c h PRO 37 Ca -0.30 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1v1c h PRO 37 Cb 0.67 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1v1c h PRO 37 CO 0.01 0.00 -0.31 1.25 -0.21 0.00 0.00 178.00 178.73 1v1c h LEU 38 N 0.00 -0.87 -7.46 2.35 5.85 -1.94 -3.43 115.31 109.81 1v1c h LEU 38 Ca 0.09 0.09 -0.34 0.00 0.84 0.00 0.00 57.88 58.56 1v1c h LEU 38 Cb 0.75 0.32 -0.36 0.00 0.37 0.00 0.00 40.66 41.74 1v1c h LEU 38 CO -0.00 -0.42 -0.74 0.00 -0.34 0.00 0.00 178.44 176.95 1v1c s ARG 39 N -6.02 0.02 -0.03 1.25 1.70 -0.96 -4.30 118.95 110.61 1v1c s ARG 39 Ca -0.16 0.24 -0.02 0.00 -0.47 0.00 0.00 55.73 55.32 1v1c s ARG 39 Cb 0.07 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.01 1v1c s ARG 39 CO 0.64 -0.23 0.11 -1.58 -1.08 0.00 0.00 175.30 173.16 1v1c s TRP 40 N 1.50 3.39 0.08 5.89 0.51 -1.19 -4.65 118.94 124.46 1v1c s TRP 40 Ca -0.04 0.29 -0.30 0.00 -2.12 0.00 0.00 56.10 53.94 1v1c s TRP 40 Cb -0.13 -1.80 -0.05 0.00 -0.81 0.00 0.00 33.47 30.69 1v1c s TRP 40 CO -0.03 0.60 0.96 -1.17 -0.51 0.00 0.00 176.95 176.79 1v1c s LEU 41 N -1.59 4.46 0.13 2.99 2.96 -0.93 -3.27 118.68 123.42 1v1c s LEU 41 Ca 0.22 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.89 1v1c s LEU 41 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1v1c s LEU 41 CO 0.12 -0.11 -0.06 0.68 -1.32 0.00 0.00 176.35 175.66 1v1c s VAL 42 N 0.27 0.83 -0.15 1.68 -7.23 -1.17 -0.54 120.40 114.10 1v1c s VAL 42 Ca 0.48 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1v1c s VAL 42 Cb -0.23 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 34.92 1v1c s VAL 42 CO 0.29 -0.73 0.10 -0.60 -0.31 0.00 0.00 175.10 173.85 1v1c s ARG 43 N -3.83 0.05 0.39 4.82 3.52 -0.88 -2.55 118.95 120.46 1v1c s ARG 43 Ca 0.16 0.02 -0.27 0.00 -0.13 0.00 0.00 55.73 55.52 1v1c s ARG 43 Cb 0.05 -1.56 -0.11 0.00 -1.56 0.00 0.00 34.95 31.77 1v1c s ARG 43 CO -0.01 -0.61 1.39 0.25 -0.81 0.00 0.00 175.30 175.51 1v1c n THR 44 N 5.29 2.23 -2.51 4.11 -2.24 -0.88 -3.90 114.28 116.38 1v1c n THR 44 Ca -0.06 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1v1c n THR 44 Cb 0.49 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 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 -2.12 4.37 0.12 -0.78 1.02 -1.26 -4.38 119.74 116.70 1v1c s LYS 45 Ca 0.56 1.61 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 1v1c s LYS 45 Cb -0.50 -3.55 0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1v1c s LYS 45 CO 0.61 -0.42 0.16 -0.35 -0.92 0.00 0.00 175.35 174.43 1v1c n PRO 46 N 5.17 -0.28 -1.70 -1.68 -0.04 -1.26 -5.03 135.00 130.18 1v1c n PRO 46 Ca 0.10 -0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1v1c n PRO 46 Cb 0.47 -0.17 0.08 0.00 -0.04 0.00 0.00 33.50 33.83 1v1c n PRO 46 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1v1c n THR 47 N -2.28 1.40 -0.82 0.52 -2.24 -1.26 -4.94 114.28 104.66 1v1c n THR 47 Ca 0.02 -2.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 1v1c n THR 47 Cb 0.07 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1v1c n THR 47 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1v1c n LYS 48 N -0.43 -0.69 0.00 -0.78 3.00 -1.26 -4.41 118.16 113.59 1v1c n LYS 48 Ca 0.17 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1v1c n LYS 48 Cb 0.91 -4.17 0.00 0.00 0.00 0.00 0.00 35.03 31.78 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 -0.35 0.00 -4.66 3.14 2.88 -1.26 -5.08 113.62 108.29 1v1c n SER 49 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1v1c n SER 49 Cb 0.17 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 1v1c n SER 49 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v1c s SER 50 N -0.22 6.54 0.06 -3.46 0.15 -1.26 -5.03 113.70 110.49 1v1c s SER 50 Ca 0.00 0.65 -0.32 0.00 0.70 0.00 0.00 55.95 56.98 1v1c s SER 50 Cb 0.00 -2.28 -0.11 0.00 -1.71 0.00 0.00 66.02 61.92 1v1c s SER 50 CO 0.00 -0.17 1.85 -0.81 1.20 0.00 0.00 173.24 175.31 1v1c n PRO 51 N 4.74 2.60 -2.34 5.44 -0.04 -1.26 -4.13 135.00 140.01 1v1c n PRO 51 Ca -0.05 0.95 -0.35 0.00 -0.04 0.00 0.00 63.50 64.01 1v1c n PRO 51 Cb 0.50 -2.83 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 1v1c n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v1c s SER 52 N 3.19 5.89 0.04 3.54 1.04 -1.26 -4.96 113.70 121.18 1v1c s SER 52 Ca 0.86 2.11 0.04 0.00 0.48 0.00 0.00 55.95 59.43 1v1c s SER 52 Cb -0.54 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 62.98 1v1c s SER 52 CO 0.42 -1.10 -0.11 -0.13 0.98 0.00 0.00 173.24 173.29 1v1c s ARG 53 N -3.27 0.74 -0.09 4.02 1.81 -1.26 -5.03 118.95 115.88 1v1c s ARG 53 Ca 0.71 -0.74 0.03 0.00 -1.72 0.00 0.00 55.73 54.01 1v1c s ARG 53 Cb -0.22 -0.68 0.01 0.00 -0.45 0.00 0.00 34.95 33.60 1v1c s ARG 53 CO 0.25 0.16 -0.19 -0.65 -0.68 0.00 0.00 175.30 174.19 1v1c s GLN 54 N -1.28 2.48 0.05 3.54 -0.21 -1.26 -2.06 119.66 120.91 1v1c s GLN 54 Ca -0.02 -0.68 -0.15 0.00 0.02 0.00 0.00 55.36 54.53 1v1c s GLN 54 Cb -0.08 -1.94 0.03 0.00 1.00 0.00 0.00 33.01 32.01 1v1c s GLN 54 CO 0.01 0.09 0.34 0.20 -2.12 0.00 0.00 175.29 173.82 1v1c s GLY 55 N 0.54 -0.18 -0.22 3.09 0.00 -1.06 -4.87 107.32 104.62 1v1c s GLY 55 Ca -0.16 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.44 1v1c s GLY 55 CO 0.06 -0.14 0.66 -0.98 0.00 0.00 0.00 173.10 172.70 1v1c s TRP 56 N -2.60 3.33 0.21 1.90 0.52 -1.21 -3.02 118.94 118.07 1v1c s TRP 56 Ca -0.05 0.93 0.09 0.00 0.02 0.00 0.00 56.10 57.09 1v1c s TRP 56 Cb -0.01 -2.86 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 1v1c s TRP 56 CO -0.04 -0.27 -0.18 0.08 0.02 0.00 0.00 176.95 176.57 1v1c s VAL 57 N 2.27 1.99 -0.22 4.03 1.01 -1.20 -4.67 120.40 123.60 1v1c s VAL 57 Ca 0.29 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 1v1c s VAL 57 Cb -0.16 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1v1c s VAL 57 CO 0.09 -0.41 1.07 -0.44 0.00 0.00 0.00 175.10 175.41 1v1c s SER 58 N -3.07 7.08 0.31 3.32 0.01 -1.26 -3.17 113.70 116.92 1v1c s SER 58 Ca 0.22 1.41 0.25 0.00 1.31 0.00 0.00 55.95 59.14 1v1c s SER 58 Cb -0.04 -2.54 1.05 0.00 0.21 0.00 0.00 66.02 64.70 1v1c s SER 58 CO 0.09 -0.68 1.76 -0.65 0.41 0.00 0.00 173.24 174.17 1v1c h PRO 59 N 7.54 0.00 -0.86 12.44 0.11 -1.84 -3.16 132.00 146.22 1v1c h PRO 59 Ca -0.20 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.96 1v1c h PRO 59 Cb 1.06 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1v1c h PRO 59 CO 0.98 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 179.31 1v1c h ALA 60 N 2.22 1.16 -0.53 -0.75 0.00 -1.90 -1.60 119.26 117.86 1v1c h ALA 60 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v1c h ALA 60 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1v1c h ALA 60 CO 0.00 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.24 1v1c n TYR 61 N -4.59 1.40 -4.05 0.00 4.01 -1.19 -4.93 117.16 107.81 1v1c n TYR 61 Ca 0.12 -0.53 -0.27 0.00 -0.16 0.00 0.00 57.90 57.05 1v1c n TYR 61 Cb 0.14 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 38.83 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 -1.82 3.90 -0.13 7.72 1.02 -0.60 -4.35 118.68 124.42 1v1c s LEU 62 Ca 0.44 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.54 1v1c s LEU 62 Cb 0.30 -2.52 0.02 0.00 0.02 0.00 0.00 46.19 44.01 1v1c s LEU 62 CO 0.19 0.09 -0.11 -1.81 0.02 0.00 0.00 176.35 174.73 1v1c s ASP 63 N -2.93 2.40 0.43 2.29 1.11 -1.19 -4.95 116.67 113.83 1v1c s ASP 63 Ca 0.31 -0.39 -0.25 0.00 0.18 0.00 0.00 52.55 52.39 1v1c s ASP 63 Cb -0.11 -1.01 -0.09 0.00 1.07 0.00 0.00 42.92 42.78 1v1c s ASP 63 CO 0.24 -0.07 1.30 -2.11 1.18 0.00 0.00 175.17 175.71 1v1c n ARG 64 N 4.74 1.99 -3.66 8.23 0.00 -1.26 -2.39 116.66 124.31 1v1c n ARG 64 Ca -0.16 0.71 -0.23 0.00 -0.00 0.00 0.00 57.85 58.17 1v1c n ARG 64 Cb 0.50 -2.43 -0.17 0.00 -0.00 0.00 0.00 32.46 30.36 1v1c n ARG 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1v1c s ARG 65 N -2.26 0.10 0.20 2.89 3.52 -1.16 -4.91 118.95 117.33 1v1c s ARG 65 Ca 0.61 0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 56.12 1v1c s ARG 65 Cb -0.50 -1.25 -0.08 0.00 -1.56 0.00 0.00 34.95 31.57 1v1c s ARG 65 CO 0.58 -0.50 0.67 -0.48 -0.81 0.00 0.00 175.30 174.76 1v1c s LEU 66 N 2.12 4.35 -0.02 -0.88 0.05 -1.26 -4.16 118.68 118.88 1v1c s LEU 66 Ca 0.03 1.33 0.05 0.00 0.05 0.00 0.00 54.13 55.59 1v1c s LEU 66 Cb -0.14 -3.48 -0.01 0.00 -2.05 0.00 0.00 46.19 40.51 1v1c s LEU 66 CO -0.06 0.06 -0.18 -0.54 -0.55 0.00 0.00 176.35 175.08 1v1c s LYS 67 N -1.94 1.53 0.00 1.48 -0.14 -1.26 -5.13 119.74 114.29 1v1c s LYS 67 Ca 0.41 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 1v1c s LYS 67 Cb -0.16 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.54 1v1c s LYS 67 CO 0.20 0.36 0.00 -0.11 -0.76 0.00 0.00 175.35 175.04