#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 3.01 -0.24 4.28 0.08 -1.26 -5.09 117.98 118.76 1v1c s PHE 2 Ca 0.00 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.02 1v1c s PHE 2 Cb 0.00 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.10 1v1c s PHE 2 CO 0.00 -0.47 -0.10 0.34 -0.10 0.00 0.00 175.22 174.89 1v1c s ASP 3 N -4.30 4.06 -0.19 1.36 2.15 -1.26 -4.92 116.67 113.56 1v1c s ASP 3 Ca 0.52 -1.22 -0.25 0.00 0.43 0.00 0.00 52.55 52.03 1v1c s ASP 3 Cb -0.10 -1.40 -0.01 0.00 -0.30 0.00 0.00 42.92 41.11 1v1c s ASP 3 CO 0.36 -0.18 0.83 -0.63 -0.17 0.00 0.00 175.17 175.38 1v1c s ILE 4 N 1.23 4.87 0.23 4.11 1.01 -1.25 -1.37 121.20 130.03 1v1c s ILE 4 Ca -0.06 1.61 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 1v1c s ILE 4 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1v1c s ILE 4 CO -0.06 -0.00 0.43 -0.31 0.00 0.00 0.00 174.94 175.00 1v1c s TYR 5 N 2.33 3.48 -0.03 3.97 1.51 -0.53 -1.69 117.35 126.39 1v1c s TYR 5 Ca 0.37 0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.89 1v1c s TYR 5 Cb -0.16 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1v1c s TYR 5 CO 0.11 0.33 -0.24 0.54 -1.11 0.00 0.00 175.55 175.17 1v1c s VAL 6 N -1.94 1.92 -0.27 0.71 0.11 -0.75 -2.87 120.40 117.31 1v1c s VAL 6 Ca 0.39 -1.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.20 1v1c s VAL 6 Cb -0.11 -1.60 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1v1c s VAL 6 CO 0.30 0.54 0.68 -0.69 -3.33 0.00 0.00 175.10 172.59 1v1c s VAL 7 N -0.45 4.93 -0.06 2.04 1.01 -1.21 -2.40 120.40 124.26 1v1c s VAL 7 Ca 0.06 1.14 0.09 0.00 0.00 0.00 0.00 61.98 63.27 1v1c s VAL 7 Cb -0.10 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.42 1v1c s VAL 7 CO 0.00 -0.06 1.03 0.35 0.00 0.00 0.00 175.10 176.42 1v1c n THR 8 N 5.29 1.06 -0.64 3.92 -2.24 -1.26 -0.93 114.28 119.48 1v1c n THR 8 Ca 0.01 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1v1c n THR 8 Cb 0.49 0.19 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 -0.77 1.04 -2.54 6.98 0.00 -1.26 -5.07 120.51 118.89 1v1c n ALA 9 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 1v1c n ALA 9 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.05 -2.03 -4.27 0.00 2.03 -1.26 -4.93 116.55 106.03 1v1c n ASP 10 Ca 0.00 1.44 -0.44 0.00 0.52 0.00 0.00 54.79 56.31 1v1c n ASP 10 Cb 0.23 -5.25 -0.05 0.00 -0.72 0.00 0.00 41.12 35.34 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 -0.65 3.57 -0.36 -0.67 6.14 -1.26 -4.93 117.35 119.19 1v1c s TYR 11 Ca -0.24 -1.97 -0.03 0.00 0.64 0.00 0.00 57.07 55.47 1v1c s TYR 11 Cb 0.02 -3.67 0.08 0.00 0.42 0.00 0.00 41.96 38.80 1v1c s TYR 11 CO 0.64 -0.97 0.12 -0.51 0.64 0.00 0.00 175.55 175.47 1v1c s LEU 12 N 0.55 4.61 0.18 6.97 1.43 -1.26 -3.28 118.68 127.88 1v1c s LEU 12 Ca 0.13 -1.61 -0.32 0.00 -1.03 0.00 0.00 54.13 51.30 1v1c s LEU 12 Cb -0.18 -1.80 -0.12 0.00 0.03 0.00 0.00 46.19 44.12 1v1c s LEU 12 CO -0.05 -0.41 1.72 -2.65 0.23 0.00 0.00 176.35 175.19 1v1c n PRO 13 N 4.65 2.63 -3.00 1.29 -0.02 -1.26 -4.94 135.00 134.35 1v1c n PRO 13 Ca -0.08 0.95 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 1v1c n PRO 13 Cb 0.43 -2.79 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 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 1.44 5.10 0.00 2.45 1.43 -1.26 -4.88 118.68 122.96 1v1c s LEU 14 Ca 0.77 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1v1c s LEU 14 Cb -0.54 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1v1c s LEU 14 CO 0.35 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1v1c n GLY 15 N 5.26 0.72 2.91 -3.19 0.00 -1.26 -4.89 105.19 104.74 1v1c n GLY 15 Ca 0.04 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 1.88 -0.21 4.61 0.00 -1.26 -5.11 121.76 119.67 1v1c s ALA 16 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1v1c s ALA 16 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1v1c s ALA 16 CO 0.00 -1.23 0.04 -1.21 0.00 0.00 0.00 175.76 173.36 1v1c s GLU 17 N 1.43 3.73 0.60 0.00 2.02 -1.26 -5.09 118.70 120.14 1v1c s GLU 17 Ca -0.04 -0.45 -0.19 0.00 0.02 0.00 0.00 54.97 54.30 1v1c s GLU 17 Cb -0.19 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 1v1c s GLU 17 CO -0.07 0.01 1.26 -0.65 0.02 0.00 0.00 175.26 175.83 1v1c s GLN 18 N 1.05 2.86 -0.62 1.61 -0.21 -1.26 -2.72 119.66 120.39 1v1c s GLN 18 Ca 0.03 1.96 -0.04 0.00 0.02 0.00 0.00 55.36 57.34 1v1c s GLN 18 Cb -0.14 -1.95 0.04 0.00 1.00 0.00 0.00 33.01 31.95 1v1c s GLN 18 CO 0.03 -1.33 0.13 -0.40 -2.12 0.00 0.00 175.29 171.60 1v1c n ASP 19 N -1.60 -2.10 -4.49 5.90 5.68 -1.26 -4.91 116.55 113.77 1v1c n ASP 19 Ca 0.14 0.12 -0.30 0.00 -0.50 0.00 0.00 54.79 54.25 1v1c n ASP 19 Cb 0.48 -1.86 -0.12 0.00 -1.14 0.00 0.00 41.12 38.49 1v1c n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v1c s ALA 20 N -2.40 2.69 -0.02 2.12 0.00 -1.10 -3.58 121.76 119.46 1v1c s ALA 20 Ca 0.15 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.88 1v1c s ALA 20 Cb -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1v1c s ALA 20 CO 0.18 0.59 -0.20 -1.50 0.00 0.00 0.00 175.76 174.83 1v1c s ILE 21 N -1.08 2.56 0.36 0.00 2.07 -1.26 -4.93 121.20 118.92 1v1c s ILE 21 Ca 0.17 -0.98 -0.22 0.00 -1.41 0.00 0.00 60.65 58.21 1v1c s ILE 21 Cb -0.11 -1.97 -0.10 0.00 0.13 0.00 0.00 42.46 40.41 1v1c s ILE 21 CO 0.09 0.54 0.91 0.42 -1.91 0.00 0.00 174.94 174.99 1v1c s THR 22 N -0.71 4.36 0.16 4.00 -4.23 -1.26 -4.96 115.64 113.00 1v1c s THR 22 Ca 0.11 1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 62.17 1v1c s THR 22 Cb -0.10 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1v1c s THR 22 CO 0.01 -0.09 0.07 -0.76 -0.54 0.00 0.00 174.62 173.31 1v1c s LEU 23 N -2.63 1.66 0.01 4.79 1.43 -1.21 -5.11 118.68 117.63 1v1c s LEU 23 Ca 0.55 -1.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1v1c s LEU 23 Cb -0.13 0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 1v1c s LEU 23 CO 0.18 -0.74 -0.06 -0.13 0.23 0.00 0.00 176.35 175.83 1v1c s ARG 24 N -4.06 0.47 -0.30 1.70 1.81 -1.26 -4.35 118.95 112.96 1v1c s ARG 24 Ca 0.28 -0.37 -0.27 0.00 -1.72 0.00 0.00 55.73 53.65 1v1c s ARG 24 Cb 0.07 -0.39 -0.06 0.00 -0.45 0.00 0.00 34.95 34.13 1v1c s ARG 24 CO 0.05 0.10 2.28 -2.00 -0.68 0.00 0.00 175.30 175.04 1v1c s GLU 25 N -0.57 2.80 0.00 3.54 2.12 -1.26 -2.09 118.70 123.24 1v1c s GLU 25 Ca -0.02 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.15 1v1c s GLU 25 Cb -0.04 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.91 1v1c s GLU 25 CO -0.00 -2.48 0.00 0.41 -0.54 0.00 0.00 175.26 172.65 1v1c n GLY 26 N 5.84 1.84 3.97 -1.50 0.00 -0.10 -4.97 105.19 110.27 1v1c n GLY 26 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 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 3.00 -0.03 1.61 -1.52 -0.89 -4.92 119.66 116.91 1v1c s GLN 27 Ca 0.00 -1.10 0.02 0.00 -1.95 0.00 0.00 55.36 52.33 1v1c s GLN 27 Cb 0.00 -2.74 0.01 0.00 -0.22 0.00 0.00 33.01 30.05 1v1c s GLN 27 CO 0.00 0.01 -0.08 0.71 -0.25 0.00 0.00 175.29 175.69 1v1c s TYR 28 N -2.23 0.86 -0.29 0.91 2.02 -1.26 -3.32 117.35 114.05 1v1c s TYR 28 Ca 0.46 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.83 1v1c s TYR 28 Cb -0.09 -0.63 0.11 0.00 -0.40 0.00 0.00 41.96 40.95 1v1c s TYR 28 CO 0.31 -0.10 0.65 0.54 -1.57 0.00 0.00 175.55 175.38 1v1c s VAL 29 N 0.26 -0.61 0.53 0.71 0.11 -1.14 -4.33 120.40 115.94 1v1c s VAL 29 Ca -0.04 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 1v1c s VAL 29 Cb -0.09 -0.98 -0.07 0.00 -1.53 0.00 0.00 36.38 33.71 1v1c s VAL 29 CO 0.00 0.00 1.02 -1.83 -3.33 0.00 0.00 175.10 170.97 1v1c s GLU 30 N 2.41 3.70 0.16 1.54 1.03 -1.26 -1.46 118.70 124.82 1v1c s GLU 30 Ca -0.07 1.14 -0.19 0.00 0.03 0.00 0.00 54.97 55.88 1v1c s GLU 30 Cb -0.09 -2.09 -0.07 0.00 -0.80 0.00 0.00 34.13 31.07 1v1c s GLU 30 CO -0.19 -0.49 0.64 0.54 -1.33 0.00 0.00 175.26 174.43 1v1c s VAL 31 N -2.41 4.67 0.00 1.83 0.11 -0.47 -3.01 120.40 121.12 1v1c s VAL 31 Ca 0.62 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 1v1c s VAL 31 Cb -0.13 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1v1c s VAL 31 CO 0.30 0.32 0.00 0.18 -3.33 0.00 0.00 175.10 172.57 1v1c n LEU 32 N 1.05 0.26 0.00 2.54 4.77 0.05 -4.38 117.00 121.29 1v1c n LEU 32 Ca -0.05 0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 1v1c n LEU 32 Cb 0.51 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1v1c n LEU 32 CO 0.43 -0.35 0.19 0.47 -1.33 0.00 0.00 177.39 176.80 1v1c n ASP 33 N -2.01 0.58 -0.09 -1.43 9.92 -1.22 -5.01 116.55 117.29 1v1c n ASP 33 Ca 0.00 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.79 1v1c n ASP 33 Cb 0.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 1v1c n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v1c n ALA 34 N -2.91 1.18 -1.77 2.24 0.00 -1.26 -4.34 120.51 113.64 1v1c n ALA 34 Ca -0.06 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 1v1c n ALA 34 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 0.00 2.93 -0.21 0.00 0.00 -1.26 -4.54 121.76 118.69 1v1c s ALA 35 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1v1c s ALA 35 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1v1c s ALA 35 CO 0.00 -0.63 0.21 0.72 0.00 0.00 0.00 175.76 176.06 1v1c n HIS 36 N -0.60 -4.42 0.11 0.00 8.25 -1.26 -4.50 115.22 112.81 1v1c n HIS 36 Ca 0.08 2.48 0.20 0.00 -0.26 0.00 0.00 57.72 60.22 1v1c n HIS 36 Cb 0.49 -3.93 0.75 0.00 1.12 0.00 0.00 29.99 28.41 1v1c n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1v1c h PRO 37 N 3.97 0.00 0.39 -0.41 0.11 -2.04 -2.74 132.00 131.28 1v1c h PRO 37 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1v1c h PRO 37 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1v1c h PRO 37 CO 0.02 0.00 -0.19 1.25 -0.21 0.00 0.00 178.00 178.88 1v1c h LEU 38 N 0.00 -0.44 -8.26 2.35 5.85 -1.96 -3.45 115.31 109.40 1v1c h LEU 38 Ca 0.18 0.02 -0.57 0.00 0.84 0.00 0.00 57.88 58.34 1v1c h LEU 38 Cb 1.06 0.11 -0.31 0.00 0.37 0.00 0.00 40.66 41.90 1v1c h LEU 38 CO -0.00 -0.32 -0.84 0.00 -0.34 0.00 0.00 178.44 176.94 1v1c s ARG 39 N -4.12 1.80 0.14 1.25 1.70 -1.03 -4.40 118.95 114.28 1v1c s ARG 39 Ca -0.08 -0.63 0.07 0.00 -0.47 0.00 0.00 55.73 54.63 1v1c s ARG 39 Cb 0.01 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.77 1v1c s ARG 39 CO 0.23 0.27 -0.07 -1.58 -1.08 0.00 0.00 175.30 173.07 1v1c s TRP 40 N -0.02 2.76 0.17 5.89 0.51 -1.23 -4.55 118.94 122.46 1v1c s TRP 40 Ca -0.03 -0.16 -0.30 0.00 -2.12 0.00 0.00 56.10 53.50 1v1c s TRP 40 Cb -0.11 -1.39 -0.07 0.00 -0.81 0.00 0.00 33.47 31.09 1v1c s TRP 40 CO 0.02 0.48 0.96 -1.17 -0.51 0.00 0.00 176.95 176.72 1v1c s LEU 41 N -2.56 4.56 0.01 2.99 2.96 -1.26 -3.50 118.68 121.87 1v1c s LEU 41 Ca 0.24 1.87 -0.05 0.00 -0.22 0.00 0.00 54.13 55.98 1v1c s LEU 41 Cb -0.10 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1v1c s LEU 41 CO 0.16 0.02 0.08 0.68 -1.32 0.00 0.00 176.35 175.96 1v1c s VAL 42 N -0.49 0.10 -0.16 1.68 -7.23 -1.14 -0.77 120.40 112.39 1v1c s VAL 42 Ca 0.45 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1v1c s VAL 42 Cb -0.25 -0.39 0.05 0.00 0.56 0.00 0.00 36.38 36.35 1v1c s VAL 42 CO 0.31 -0.43 0.05 -0.60 -0.31 0.00 0.00 175.10 174.12 1v1c s ARG 43 N -1.47 0.40 0.81 4.82 3.52 -1.16 -1.85 118.95 124.01 1v1c s ARG 43 Ca -0.15 -0.19 -0.14 0.00 -0.13 0.00 0.00 55.73 55.13 1v1c s ARG 43 Cb -0.08 -1.77 0.06 0.00 -1.56 0.00 0.00 34.95 31.59 1v1c s ARG 43 CO 0.00 -0.59 1.01 0.25 -0.81 0.00 0.00 175.30 175.17 1v1c n THR 44 N 5.16 1.82 -3.03 4.11 -2.24 -0.84 -4.22 114.28 115.04 1v1c n THR 44 Ca -0.08 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 1v1c n THR 44 Cb 0.48 -1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 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 -3.83 4.45 0.18 -0.78 1.02 -1.26 -4.34 119.74 115.18 1v1c s LYS 45 Ca 0.71 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.38 1v1c s LYS 45 Cb -0.29 -3.37 -0.07 0.00 -0.52 0.00 0.00 37.83 33.57 1v1c s LYS 45 CO 0.53 0.27 1.01 -1.25 -0.92 0.00 0.00 175.35 174.99 1v1c s PRO 46 N 0.04 4.70 -0.03 -1.68 0.04 -1.26 -4.88 135.00 131.94 1v1c s PRO 46 Ca 0.37 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1v1c s PRO 46 Cb -0.20 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 31.11 1v1c s PRO 46 CO 0.21 0.25 0.71 -0.08 0.04 0.00 0.00 177.00 178.14 1v1c s THR 47 N -0.47 0.00 -1.24 1.26 -1.32 -1.11 -4.93 115.64 107.82 1v1c s THR 47 Ca 0.46 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.90 1v1c s THR 47 Cb -0.27 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1v1c s THR 47 CO 0.33 0.00 1.06 1.17 -2.21 0.00 0.00 174.62 174.97 1v1c n LYS 48 N 0.66 -7.09 -1.60 7.08 4.81 -1.26 -1.67 118.16 119.09 1v1c n LYS 48 Ca -0.17 0.82 -0.20 0.00 -0.87 0.00 0.00 58.31 57.89 1v1c n LYS 48 Cb 0.58 -5.80 -0.08 0.00 0.02 0.00 0.00 35.03 29.75 1v1c n LYS 48 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1v1c n SER 49 N -3.00 -5.38 -4.62 3.14 7.64 -1.26 -4.96 113.62 105.18 1v1c n SER 49 Ca -0.15 0.47 -0.37 0.00 1.01 0.00 0.00 58.87 59.83 1v1c n SER 49 Cb 0.62 -4.60 -0.10 0.00 -1.01 0.00 0.00 64.21 59.11 1v1c n SER 49 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v1c s SER 50 N -2.77 5.99 0.73 6.43 0.01 -0.67 -5.08 113.70 118.34 1v1c s SER 50 Ca 0.00 0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 1v1c s SER 50 Cb 0.00 -2.09 0.04 0.00 0.21 0.00 0.00 66.02 64.18 1v1c s SER 50 CO 0.00 0.02 1.20 -2.16 0.41 0.00 0.00 173.24 172.71 1v1c s PRO 51 N 1.34 2.14 -0.16 12.44 0.04 -1.26 -2.76 135.00 146.79 1v1c s PRO 51 Ca 0.07 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1v1c s PRO 51 Cb -0.15 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1v1c s PRO 51 CO 0.07 -1.83 0.50 -1.54 0.04 0.00 0.00 177.00 174.25 1v1c s SER 52 N -2.07 6.62 0.25 6.66 1.04 -1.26 -4.76 113.70 120.18 1v1c s SER 52 Ca 0.74 0.74 0.06 0.00 0.48 0.00 0.00 55.95 57.97 1v1c s SER 52 Cb -0.29 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1v1c s SER 52 CO 0.45 -0.10 0.29 -0.13 0.98 0.00 0.00 173.24 174.73 1v1c s ARG 53 N 1.20 3.18 -0.06 4.02 0.52 -1.26 -4.95 118.95 121.61 1v1c s ARG 53 Ca 0.25 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1v1c s ARG 53 Cb -0.15 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.61 1v1c s ARG 53 CO 0.10 0.39 -0.06 -1.14 0.02 0.00 0.00 175.30 174.61 1v1c s GLN 54 N -3.93 1.08 0.16 3.54 0.74 -1.26 -1.99 119.66 118.00 1v1c s GLN 54 Ca 0.34 -0.16 -0.14 0.00 0.05 0.00 0.00 55.36 55.45 1v1c s GLN 54 Cb -0.08 -1.08 0.02 0.00 1.10 0.00 0.00 33.01 32.97 1v1c s GLN 54 CO 0.27 -0.11 0.40 0.20 -0.55 0.00 0.00 175.29 175.50 1v1c s GLY 55 N 1.12 0.05 -0.14 2.59 0.00 -0.77 -4.91 107.32 105.26 1v1c s GLY 55 Ca -0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.07 1v1c s GLY 55 CO -0.01 -0.48 0.44 -0.98 0.00 0.00 0.00 173.10 172.07 1v1c s TRP 56 N -3.89 3.49 0.20 1.90 0.52 -1.24 -2.87 118.94 117.05 1v1c s TRP 56 Ca 0.10 0.81 0.05 0.00 0.02 0.00 0.00 56.10 57.07 1v1c s TRP 56 Cb 0.01 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.77 1v1c s TRP 56 CO -0.05 0.16 -0.06 0.14 0.02 0.00 0.00 176.95 177.16 1v1c s VAL 57 N 0.69 1.21 -0.35 4.03 -7.23 -1.23 -4.32 120.40 113.19 1v1c s VAL 57 Ca 0.24 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 1v1c s VAL 57 Cb -0.15 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1v1c s VAL 57 CO 0.09 -0.52 0.66 -0.44 -0.31 0.00 0.00 175.10 174.57 1v1c s SER 58 N -3.26 6.45 0.00 4.85 0.01 -1.26 -3.50 113.70 116.99 1v1c s SER 58 Ca 0.23 0.19 0.19 0.00 1.31 0.00 0.00 55.95 57.86 1v1c s SER 58 Cb 0.04 -2.34 1.10 0.00 0.21 0.00 0.00 66.02 65.03 1v1c s SER 58 CO 0.05 -0.61 1.51 -0.81 0.41 0.00 0.00 173.24 173.80 1v1c n PRO 59 N 6.09 0.56 0.00 12.44 -0.04 -1.26 -2.99 135.00 149.80 1v1c n PRO 59 Ca -0.01 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1v1c n PRO 59 Cb 0.49 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.02 2.03 -0.51 0.55 0.00 -1.26 -2.41 120.51 117.89 1v1c n ALA 60 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1v1c n ALA 60 Cb 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.22 0.00 -4.19 0.00 4.01 -1.16 -5.07 117.16 109.53 1v1c n TYR 61 Ca 0.10 -0.23 -0.25 0.00 -0.16 0.00 0.00 57.90 57.36 1v1c n TYR 61 Cb 0.13 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.45 3.45 -0.23 7.72 2.01 -1.01 -4.35 118.68 125.82 1v1c s LEU 62 Ca 0.00 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.77 1v1c s LEU 62 Cb 0.00 -2.05 0.06 0.00 0.01 0.00 0.00 46.19 44.20 1v1c s LEU 62 CO 0.00 0.05 -0.05 -0.62 1.01 0.00 0.00 176.35 176.74 1v1c s ASP 63 N -3.21 3.72 0.60 2.29 -1.08 -1.01 -4.94 116.67 113.05 1v1c s ASP 63 Ca 0.29 -1.11 -0.19 0.00 -0.52 0.00 0.00 52.55 51.02 1v1c s ASP 63 Cb -0.09 -1.14 -0.04 0.00 -1.46 0.00 0.00 42.92 40.19 1v1c s ASP 63 CO 0.20 -0.23 1.08 -2.11 0.52 0.00 0.00 175.17 174.63 1v1c n ARG 64 N 4.70 1.03 -3.84 4.34 1.85 -1.26 -1.80 116.66 121.68 1v1c n ARG 64 Ca -0.12 0.40 -0.13 0.00 -1.00 0.00 0.00 57.85 57.00 1v1c n ARG 64 Cb 0.44 -2.29 -0.14 0.00 -1.05 0.00 0.00 32.46 29.43 1v1c n ARG 64 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1v1c s ARG 65 N -2.90 0.04 -0.21 2.89 6.06 -0.68 -4.87 118.95 119.28 1v1c s ARG 65 Ca 0.77 0.09 -0.16 0.00 -2.50 0.00 0.00 55.73 53.93 1v1c s ARG 65 Cb -0.41 -0.02 -0.04 0.00 0.06 0.00 0.00 34.95 34.54 1v1c s ARG 65 CO 0.46 -0.03 0.40 -0.51 -2.50 0.00 0.00 175.30 173.12 1v1c s LEU 66 N 0.20 4.14 -0.13 -0.88 1.02 -1.26 -3.94 118.68 117.83 1v1c s LEU 66 Ca -0.01 0.50 -0.06 0.00 0.02 0.00 0.00 54.13 54.57 1v1c s LEU 66 Cb -0.02 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 1v1c s LEU 66 CO -0.01 -0.10 0.09 -0.75 0.02 0.00 0.00 176.35 175.60 1v1c s LYS 67 N 1.44 3.47 0.00 1.70 2.47 -1.26 -5.12 119.74 122.44 1v1c s LYS 67 Ca 0.19 -0.26 0.30 0.00 -1.56 0.00 0.00 55.97 54.64 1v1c s LYS 67 Cb -0.15 -3.10 1.41 0.00 -1.46 0.00 0.00 37.83 34.53 1v1c s LYS 67 CO 0.08 0.62 1.95 1.28 0.16 0.00 0.00 175.35 179.44