#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 1.60 -0.24 1.39 0.08 -1.26 -5.02 117.98 114.53 1v1c s PHE 2 Ca 0.00 1.69 0.02 0.00 0.12 0.00 0.00 56.93 58.76 1v1c s PHE 2 Cb 0.00 -3.29 0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1v1c s PHE 2 CO 0.00 -2.97 -0.11 0.34 -0.10 0.00 0.00 175.22 172.38 1v1c s ASP 3 N -2.66 4.01 0.09 1.36 -1.08 -1.26 -4.92 116.67 112.20 1v1c s ASP 3 Ca 0.67 -1.18 -0.25 0.00 -0.52 0.00 0.00 52.55 51.26 1v1c s ASP 3 Cb -0.23 -1.42 -0.06 0.00 -1.46 0.00 0.00 42.92 39.75 1v1c s ASP 3 CO 0.59 -0.17 0.78 -0.63 0.52 0.00 0.00 175.17 176.26 1v1c s ILE 4 N 1.23 4.58 0.03 4.11 1.01 -1.22 -1.37 121.20 129.57 1v1c s ILE 4 Ca -0.05 1.68 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1v1c s ILE 4 Cb -0.18 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1v1c s ILE 4 CO -0.07 0.42 -0.11 -0.31 0.00 0.00 0.00 174.94 174.88 1v1c s TYR 5 N -0.47 2.76 -0.17 3.97 1.51 -0.48 -2.68 117.35 121.78 1v1c s TYR 5 Ca 0.38 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.26 1v1c s TYR 5 Cb -0.22 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1v1c s TYR 5 CO 0.25 0.34 0.00 0.54 -1.11 0.00 0.00 175.55 175.57 1v1c s VAL 6 N -1.01 4.18 -0.53 0.71 0.11 -1.22 -2.66 120.40 119.98 1v1c s VAL 6 Ca 0.17 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 1v1c s VAL 6 Cb -0.11 -2.86 0.02 0.00 -1.53 0.00 0.00 36.38 31.90 1v1c s VAL 6 CO 0.08 0.47 1.27 -0.69 -3.33 0.00 0.00 175.10 172.90 1v1c s VAL 7 N 0.48 3.98 -0.31 2.04 1.01 -1.08 -3.73 120.40 122.79 1v1c s VAL 7 Ca -0.01 0.92 0.14 0.00 0.00 0.00 0.00 61.98 63.03 1v1c s VAL 7 Cb -0.14 -4.55 0.37 0.00 0.00 0.00 0.00 36.38 32.07 1v1c s VAL 7 CO 0.02 -1.13 1.28 0.35 0.00 0.00 0.00 175.10 175.62 1v1c n THR 8 N 6.83 1.78 -0.95 3.92 -2.24 -1.26 -0.15 114.28 122.21 1v1c n THR 8 Ca 0.12 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1v1c n THR 8 Cb 0.49 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.17 -1.23 6.98 0.00 -1.26 -5.06 120.51 120.63 1v1c n ALA 9 Ca 0.16 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 53.13 1v1c n ALA 9 Cb 0.67 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.06 -6.67 -3.17 0.00 2.03 -1.26 -4.97 116.55 102.44 1v1c n ASP 10 Ca 0.00 1.28 -0.03 0.00 0.52 0.00 0.00 54.79 56.56 1v1c n ASP 10 Cb 0.49 -4.19 -0.02 0.00 -0.72 0.00 0.00 41.12 36.67 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 -4.24 -1.46 -0.22 -0.67 5.04 -1.26 -4.85 117.35 109.69 1v1c s TYR 11 Ca 0.00 -0.06 -0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1v1c s TYR 11 Cb 0.00 0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 1v1c s TYR 11 CO 0.00 -1.16 0.04 -1.17 -1.34 0.00 0.00 175.55 171.92 1v1c s LEU 12 N 1.62 3.42 0.59 6.97 2.96 -1.26 -2.54 118.68 130.44 1v1c s LEU 12 Ca 0.18 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 1v1c s LEU 12 Cb -0.05 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1v1c s LEU 12 CO -0.06 0.04 1.26 -2.65 -1.32 0.00 0.00 176.35 173.61 1v1c n PRO 13 N 4.43 1.33 -3.28 0.98 -0.02 -1.26 -4.96 135.00 132.22 1v1c n PRO 13 Ca -0.17 0.50 -0.46 0.00 -2.02 0.00 0.00 63.50 61.35 1v1c n PRO 13 Cb 0.52 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 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 -3.44 6.28 0.00 2.45 1.43 -1.26 -4.90 118.68 119.24 1v1c s LEU 14 Ca 0.76 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1v1c s LEU 14 Cb -0.41 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1v1c s LEU 14 CO 0.46 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1v1c n GLY 15 N 4.79 1.49 3.14 -3.19 0.00 -1.26 -4.55 105.19 105.60 1v1c n GLY 15 Ca -0.02 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.00 2.62 0.07 4.61 0.00 -1.26 -5.10 121.76 121.71 1v1c s ALA 16 Ca 0.00 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.08 1v1c s ALA 16 Cb 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.43 1v1c s ALA 16 CO 0.00 -0.99 0.85 -1.83 0.00 0.00 0.00 175.76 173.80 1v1c s GLU 17 N 1.22 4.59 -0.26 0.00 4.04 -1.26 -5.05 118.70 121.98 1v1c s GLU 17 Ca -0.04 1.24 -0.06 0.00 0.04 0.00 0.00 54.97 56.16 1v1c s GLU 17 Cb -0.18 -3.37 -0.00 0.00 0.02 0.00 0.00 34.13 30.60 1v1c s GLU 17 CO -0.05 0.25 0.03 -1.14 -1.84 0.00 0.00 175.26 172.51 1v1c s GLN 18 N -0.04 3.24 -1.74 -4.83 0.74 -1.26 -4.51 119.66 111.26 1v1c s GLN 18 Ca 0.42 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 55.09 1v1c s GLN 18 Cb -0.22 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1v1c s GLN 18 CO 0.26 -0.33 0.00 -0.25 -0.55 0.00 0.00 175.29 174.42 1v1c n ASP 19 N 4.84 -5.32 -4.68 6.67 8.00 -1.26 -4.95 116.55 119.85 1v1c n ASP 19 Ca -0.16 0.41 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1v1c n ASP 19 Cb 0.49 -4.42 -0.08 0.00 -0.02 0.00 0.00 41.12 37.09 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 -2.38 3.35 -0.04 2.24 0.00 -1.26 -3.02 121.76 120.65 1v1c s ALA 20 Ca 0.00 -1.94 0.05 0.00 0.00 0.00 0.00 51.96 50.07 1v1c s ALA 20 Cb 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1v1c s ALA 20 CO 0.00 0.02 -0.18 -1.50 0.00 0.00 0.00 175.76 174.11 1v1c s ILE 21 N -2.50 1.47 0.45 0.00 2.07 -1.26 -4.86 121.20 116.57 1v1c s ILE 21 Ca 0.37 -0.74 -0.24 0.00 -1.41 0.00 0.00 60.65 58.63 1v1c s ILE 21 Cb -0.00 -1.25 -0.08 0.00 0.13 0.00 0.00 42.46 41.26 1v1c s ILE 21 CO 0.21 0.42 1.20 0.28 -1.91 0.00 0.00 174.94 175.14 1v1c s THR 22 N -0.02 2.97 0.21 4.00 -1.32 -1.26 -4.95 115.64 115.26 1v1c s THR 22 Ca -0.03 0.76 -0.07 0.00 -1.21 0.00 0.00 61.69 61.14 1v1c s THR 22 Cb -0.11 -3.41 -0.02 0.00 -1.51 0.00 0.00 72.50 67.45 1v1c s THR 22 CO 0.02 0.03 0.30 -0.76 -2.21 0.00 0.00 174.62 172.00 1v1c s LEU 23 N -2.86 0.77 0.05 9.08 1.43 -1.05 -5.09 118.68 121.01 1v1c s LEU 23 Ca 0.62 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1v1c s LEU 23 Cb -0.31 1.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.99 1v1c s LEU 23 CO 0.39 -0.98 -0.10 -0.13 0.23 0.00 0.00 176.35 175.75 1v1c s ARG 24 N -4.07 0.64 -0.71 1.70 0.52 -1.26 -4.01 118.95 111.76 1v1c s ARG 24 Ca 0.28 -0.83 -0.26 0.00 -0.52 0.00 0.00 55.73 54.40 1v1c s ARG 24 Cb 0.03 -0.50 -0.09 0.00 0.52 0.00 0.00 34.95 34.91 1v1c s ARG 24 CO 0.09 0.10 2.28 -2.00 0.02 0.00 0.00 175.30 175.79 1v1c s GLU 25 N -1.63 1.99 0.00 3.54 2.12 -1.26 -1.98 118.70 121.47 1v1c s GLU 25 Ca -0.07 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.88 1v1c s GLU 25 Cb -0.10 -4.74 0.00 0.00 0.26 0.00 0.00 34.13 29.55 1v1c s GLU 25 CO 0.01 -3.79 0.00 0.41 -0.54 0.00 0.00 175.26 171.35 1v1c n GLY 26 N 6.49 0.16 3.87 -1.50 0.00 0.78 -4.92 105.19 110.08 1v1c n GLY 26 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 3.35 -0.11 1.61 -1.52 -0.84 -4.87 119.66 117.29 1v1c s GLN 27 Ca 0.00 -0.32 -0.02 0.00 -1.95 0.00 0.00 55.36 53.07 1v1c s GLN 27 Cb 0.00 -3.06 -0.03 0.00 -0.22 0.00 0.00 33.01 29.70 1v1c s GLN 27 CO 0.00 0.69 -0.03 0.71 -0.25 0.00 0.00 175.29 176.41 1v1c s TYR 28 N -1.23 3.04 -0.26 0.91 2.02 -1.26 -2.64 117.35 117.93 1v1c s TYR 28 Ca 0.24 -0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.78 1v1c s TYR 28 Cb -0.12 -1.84 0.10 0.00 -0.40 0.00 0.00 41.96 39.70 1v1c s TYR 28 CO 0.14 0.23 0.59 0.54 -1.57 0.00 0.00 175.55 175.48 1v1c s VAL 29 N -0.35 -0.58 0.53 0.71 0.11 -1.09 -3.88 120.40 115.85 1v1c s VAL 29 Ca 0.06 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 1v1c s VAL 29 Cb -0.12 -0.89 -0.07 0.00 -1.53 0.00 0.00 36.38 33.76 1v1c s VAL 29 CO 0.02 0.02 1.01 -1.83 -3.33 0.00 0.00 175.10 170.99 1v1c s GLU 30 N 2.37 3.74 0.18 1.54 -1.05 -1.26 -1.39 118.70 122.84 1v1c s GLU 30 Ca -0.07 1.08 -0.17 0.00 -0.15 0.00 0.00 54.97 55.67 1v1c s GLU 30 Cb -0.10 -2.10 -0.07 0.00 -0.44 0.00 0.00 34.13 31.42 1v1c s GLU 30 CO -0.17 -0.45 0.63 0.54 0.95 0.00 0.00 175.26 176.75 1v1c s VAL 31 N -2.49 4.73 0.00 1.83 0.11 -0.47 -2.94 120.40 121.17 1v1c s VAL 31 Ca 0.61 1.03 0.00 0.00 -2.93 0.00 0.00 61.98 60.69 1v1c s VAL 31 Cb -0.12 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1v1c s VAL 31 CO 0.31 0.23 0.00 0.18 -3.33 0.00 0.00 175.10 172.49 1v1c n LEU 32 N 0.78 0.00 0.00 2.54 4.77 -0.08 -4.38 117.00 120.64 1v1c n LEU 32 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1v1c n LEU 32 Cb 0.51 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1v1c n LEU 32 CO 0.43 -0.44 0.37 -0.67 -1.33 0.00 0.00 177.39 175.75 1v1c n ASP 33 N -2.34 0.00 -2.59 -1.43 -0.08 -1.07 -4.99 116.55 104.05 1v1c n ASP 33 Ca 0.00 0.74 -0.01 0.00 -1.51 0.00 0.00 54.79 54.02 1v1c n ASP 33 Cb 0.00 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.21 1v1c n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1v1c n ALA 34 N -1.33 -3.48 -0.06 -1.67 0.00 -1.26 -4.98 120.51 107.73 1v1c n ALA 34 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1v1c n ALA 34 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.75 2.88 -2.81 0.00 0.00 -1.26 -5.10 120.51 114.96 1v1c n ALA 35 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1v1c n ALA 35 Cb 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 1v1c n ALA 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1v1c s HIS 36 N -0.94 3.09 0.65 0.00 2.46 -1.26 -4.99 115.29 114.30 1v1c s HIS 36 Ca 0.00 -0.07 0.26 0.00 0.47 0.00 0.00 55.06 55.72 1v1c s HIS 36 Cb 0.00 -1.90 1.38 0.00 -0.13 0.00 0.00 32.58 31.93 1v1c s HIS 36 CO 0.00 0.18 1.78 -1.35 -2.47 0.00 0.00 174.74 172.89 1v1c h PRO 37 N 6.07 0.00 0.01 2.88 0.11 -2.04 -2.91 132.00 136.13 1v1c h PRO 37 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1v1c h PRO 37 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1v1c h PRO 37 CO 0.60 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.29 1v1c h LEU 38 N 0.00 -0.09 -7.36 2.35 3.38 -1.98 -3.43 115.31 108.18 1v1c h LEU 38 Ca 0.05 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1v1c h LEU 38 Cb 0.98 0.03 -0.28 0.00 0.09 0.00 0.00 40.66 41.48 1v1c h LEU 38 CO -0.00 -0.03 -0.43 0.00 0.09 0.00 0.00 178.44 178.07 1v1c s ARG 39 N -3.16 0.27 0.13 1.13 1.70 -1.10 -4.59 118.95 113.33 1v1c s ARG 39 Ca -0.01 0.53 0.09 0.00 -0.47 0.00 0.00 55.73 55.87 1v1c s ARG 39 Cb 0.00 -0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1v1c s ARG 39 CO 0.03 -0.13 -0.15 -1.58 -1.08 0.00 0.00 175.30 172.39 1v1c s TRP 40 N 0.96 2.58 -0.30 5.89 0.51 -1.24 -4.62 118.94 122.73 1v1c s TRP 40 Ca -0.07 -0.24 -0.23 0.00 -2.12 0.00 0.00 56.10 53.45 1v1c s TRP 40 Cb -0.08 -1.35 -0.00 0.00 -0.81 0.00 0.00 33.47 31.23 1v1c s TRP 40 CO -0.07 0.42 0.76 -1.17 -0.51 0.00 0.00 176.95 176.38 1v1c s LEU 41 N -2.27 4.09 0.10 2.99 2.96 -1.26 -3.31 118.68 121.98 1v1c s LEU 41 Ca 0.20 0.66 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 1v1c s LEU 41 Cb -0.10 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1v1c s LEU 41 CO 0.12 -0.57 -0.19 0.68 -1.32 0.00 0.00 176.35 175.06 1v1c s VAL 42 N 2.86 1.60 -0.20 1.68 -7.23 -1.22 -0.90 120.40 117.00 1v1c s VAL 42 Ca 0.31 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1v1c s VAL 42 Cb -0.14 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.36 1v1c s VAL 42 CO 0.12 -0.11 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.11 1v1c s ARG 43 N -1.94 1.92 0.42 4.82 3.52 -1.15 -1.53 118.95 125.01 1v1c s ARG 43 Ca 0.05 -0.86 -0.26 0.00 -0.13 0.00 0.00 55.73 54.53 1v1c s ARG 43 Cb -0.10 -2.43 -0.09 0.00 -1.56 0.00 0.00 34.95 30.77 1v1c s ARG 43 CO 0.04 -0.46 1.39 0.95 -0.81 0.00 0.00 175.30 176.41 1v1c s THR 44 N 1.40 2.27 0.09 4.11 -4.23 -1.02 -3.98 115.64 114.28 1v1c s THR 44 Ca -0.02 0.24 -0.31 0.00 -1.18 0.00 0.00 61.69 60.43 1v1c s THR 44 Cb -0.17 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 1v1c s THR 44 CO -0.08 0.04 1.25 -0.54 -0.54 0.00 0.00 174.62 174.75 1v1c s LYS 45 N -2.29 4.41 0.81 3.99 1.02 -1.25 -4.32 119.74 122.11 1v1c s LYS 45 Ca 0.58 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 58.31 1v1c s LYS 45 Cb -0.42 -3.31 0.08 0.00 -0.52 0.00 0.00 37.83 33.66 1v1c s LYS 45 CO 0.55 -0.29 1.10 -1.25 -0.92 0.00 0.00 175.35 174.55 1v1c s PRO 46 N 0.93 1.95 -0.16 -1.68 0.04 -1.26 -5.02 135.00 129.80 1v1c s PRO 46 Ca 0.60 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 1v1c s PRO 46 Cb -0.32 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1v1c s PRO 46 CO 0.30 -1.70 0.40 -0.08 0.04 0.00 0.00 177.00 175.96 1v1c s THR 47 N -3.18 -0.01 0.00 1.26 -1.32 -1.25 -4.98 115.64 106.15 1v1c s THR 47 Ca 0.61 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 1v1c s THR 47 Cb -0.14 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1v1c s THR 47 CO 0.54 0.02 0.00 0.29 -2.21 0.00 0.00 174.62 173.26 1v1c n LYS 48 N 3.50 0.00 -0.45 7.08 5.02 -1.26 -1.25 118.16 130.79 1v1c n LYS 48 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1v1c n LYS 48 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 2.05 0.00 -4.67 4.39 2.88 -1.26 -5.10 113.62 111.92 1v1c n SER 49 Ca 0.00 -1.44 -0.42 0.00 -1.33 0.00 0.00 58.87 55.68 1v1c n SER 49 Cb 0.00 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.44 7.04 0.41 -3.46 0.15 -0.38 -5.01 113.70 112.00 1v1c s SER 50 Ca 0.00 1.29 -0.27 0.00 0.70 0.00 0.00 55.95 57.67 1v1c s SER 50 Cb 0.00 -2.50 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 1v1c s SER 50 CO 0.00 -0.51 1.47 -0.81 1.20 0.00 0.00 173.24 174.59 1v1c n PRO 51 N 5.64 2.52 -2.49 5.44 -0.04 -1.26 -3.95 135.00 140.85 1v1c n PRO 51 Ca 0.08 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 64.00 1v1c n PRO 51 Cb 0.48 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 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 -0.26 7.11 -0.08 3.54 1.04 -1.26 -4.89 113.70 118.90 1v1c s SER 52 Ca 0.56 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.88 1v1c s SER 52 Cb -0.46 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.09 1v1c s SER 52 CO 0.61 -0.50 -0.23 -0.13 0.98 0.00 0.00 173.24 173.97 1v1c s ARG 53 N 1.71 2.66 -0.08 4.02 0.52 -1.26 -5.02 118.95 121.51 1v1c s ARG 53 Ca 0.56 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1v1c s ARG 53 Cb -0.25 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1v1c s ARG 53 CO 0.25 0.25 -0.19 1.14 0.02 0.00 0.00 175.30 176.76 1v1c s GLN 54 N 0.16 2.83 0.04 3.54 1.03 -1.26 -2.43 119.66 123.57 1v1c s GLN 54 Ca -0.12 -0.79 -0.14 0.00 0.04 0.00 0.00 55.36 54.35 1v1c s GLN 54 Cb -0.16 -2.36 0.02 0.00 0.03 0.00 0.00 33.01 30.54 1v1c s GLN 54 CO 0.06 0.37 0.31 0.20 -2.54 0.00 0.00 175.29 173.69 1v1c s GLY 55 N -0.11 -0.13 -0.11 2.60 0.00 -0.58 -4.89 107.32 104.10 1v1c s GLY 55 Ca -0.04 0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 1v1c s GLY 55 CO 0.04 -0.20 1.22 -0.98 0.00 0.00 0.00 173.10 173.18 1v1c s TRP 56 N -2.55 3.06 0.31 1.90 0.52 -1.17 -3.41 118.94 117.60 1v1c s TRP 56 Ca -0.05 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.30 1v1c s TRP 56 Cb -0.01 -3.45 -0.06 0.00 -1.15 0.00 0.00 33.47 28.80 1v1c s TRP 56 CO -0.03 -1.43 -0.08 0.14 0.02 0.00 0.00 176.95 175.56 1v1c s VAL 57 N 2.75 1.97 -0.44 4.03 -7.23 -1.21 -4.32 120.40 115.95 1v1c s VAL 57 Ca 0.55 -2.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.31 1v1c s VAL 57 Cb -0.23 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.21 1v1c s VAL 57 CO 0.18 -0.26 0.78 -0.94 -0.31 0.00 0.00 175.10 174.55 1v1c s SER 58 N -3.52 6.42 0.00 4.85 1.04 -1.26 -3.73 113.70 117.50 1v1c s SER 58 Ca 0.31 -0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.82 1v1c s SER 58 Cb 0.03 -2.38 0.66 0.00 0.10 0.00 0.00 66.02 64.42 1v1c s SER 58 CO 0.14 -0.88 1.41 -0.81 0.98 0.00 0.00 173.24 174.08 1v1c n PRO 59 N 6.66 0.11 0.12 4.02 -0.04 -1.26 -2.69 135.00 141.91 1v1c n PRO 59 Ca 0.02 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1v1c n PRO 59 Cb 0.48 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.39 1.53 -0.24 0.55 0.00 -1.26 -1.75 120.51 117.95 1v1c n ALA 60 Ca 0.05 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1v1c n ALA 60 Cb 0.14 -1.35 0.08 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 -2.15 0.22 -4.17 0.00 4.01 -1.10 -5.01 117.16 108.95 1v1c n TYR 61 Ca 0.02 -0.58 -0.30 0.00 -0.16 0.00 0.00 57.90 56.88 1v1c n TYR 61 Cb 0.18 -0.07 -0.09 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.33 3.27 0.03 7.72 1.02 -0.71 -4.26 118.68 124.42 1v1c s LEU 62 Ca 0.14 -0.27 0.07 0.00 0.02 0.00 0.00 54.13 54.09 1v1c s LEU 62 Cb 0.09 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 1v1c s LEU 62 CO 0.06 0.18 -0.20 -1.81 0.02 0.00 0.00 176.35 174.59 1v1c s ASP 63 N -2.26 3.63 0.21 2.29 1.11 -1.24 -4.99 116.67 115.41 1v1c s ASP 63 Ca 0.24 -0.45 -0.31 0.00 0.18 0.00 0.00 52.55 52.21 1v1c s ASP 63 Cb -0.11 -0.54 -0.10 0.00 1.07 0.00 0.00 42.92 43.23 1v1c s ASP 63 CO 0.16 0.27 1.53 0.00 1.18 0.00 0.00 175.17 178.31 1v1c s ARG 64 N -1.31 4.22 -0.23 8.23 3.03 -1.26 -3.45 118.95 128.17 1v1c s ARG 64 Ca 0.13 2.38 -0.04 0.00 2.03 0.00 0.00 55.73 60.24 1v1c s ARG 64 Cb -0.10 -3.12 0.10 0.00 -1.03 0.00 0.00 34.95 30.80 1v1c s ARG 64 CO 0.04 -0.55 0.19 1.03 -1.13 0.00 0.00 175.30 174.88 1v1c s ARG 65 N 0.36 0.19 -0.10 3.89 1.81 -1.09 -4.93 118.95 119.07 1v1c s ARG 65 Ca 0.65 -0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 54.54 1v1c s ARG 65 Cb -0.44 -1.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 1v1c s ARG 65 CO 0.38 -0.81 0.04 -0.51 -0.68 0.00 0.00 175.30 173.72 1v1c s LEU 66 N 2.24 3.83 0.49 2.53 1.02 -1.26 -3.41 118.68 124.12 1v1c s LEU 66 Ca 0.07 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1v1c s LEU 66 Cb -0.15 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1v1c s LEU 66 CO -0.21 0.38 0.00 1.17 0.02 0.00 0.00 176.35 177.71 1v1c n LYS 67 N 2.13 -3.57 -0.47 1.70 3.00 -1.26 -5.10 118.16 114.59 1v1c n LYS 67 Ca -0.19 2.74 0.00 0.00 -0.00 0.00 0.00 58.31 60.86 1v1c n LYS 67 Cb 0.54 -3.34 0.00 0.00 0.00 0.00 0.00 35.03 32.23 1v1c n LYS 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29