#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v1c n PHE 2 N 0.00 -3.44 -3.97 1.39 3.72 -1.26 -4.81 117.46 109.09 1v1c n PHE 2 Ca 0.00 1.81 -0.31 0.00 -0.05 0.00 0.00 57.45 58.90 1v1c n PHE 2 Cb 0.00 -3.13 -0.15 0.00 -0.94 0.00 0.00 39.48 35.26 1v1c n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1v1c s ASP 3 N -7.05 4.59 -0.43 4.37 1.01 -1.26 -4.96 116.67 112.94 1v1c s ASP 3 Ca 0.00 -2.00 -0.26 0.00 0.71 0.00 0.00 52.55 51.00 1v1c s ASP 3 Cb 0.00 -1.47 0.02 0.00 1.01 0.00 0.00 42.92 42.48 1v1c s ASP 3 CO 0.00 -0.37 0.94 -0.63 0.21 0.00 0.00 175.17 175.31 1v1c s ILE 4 N 1.06 4.50 -0.17 0.77 1.01 -1.25 -1.36 121.20 125.75 1v1c s ILE 4 Ca 0.09 0.94 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 1v1c s ILE 4 Cb -0.19 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1v1c s ILE 4 CO -0.11 -0.73 0.36 -0.31 0.00 0.00 0.00 174.94 174.15 1v1c s TYR 5 N 3.70 3.43 -0.01 3.97 1.51 -0.55 -3.08 117.35 126.30 1v1c s TYR 5 Ca 0.38 0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 56.84 1v1c s TYR 5 Cb -0.11 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1v1c s TYR 5 CO 0.24 0.12 0.73 0.54 -1.11 0.00 0.00 175.55 176.06 1v1c s VAL 6 N 0.87 4.90 -0.25 0.71 0.11 -0.92 -3.42 120.40 122.40 1v1c s VAL 6 Ca 0.19 1.53 -0.26 0.00 -2.93 0.00 0.00 61.98 60.51 1v1c s VAL 6 Cb -0.14 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1v1c s VAL 6 CO 0.07 0.31 0.89 -0.69 -3.33 0.00 0.00 175.10 172.34 1v1c s VAL 7 N 0.38 4.78 -0.04 2.04 1.01 -0.91 -3.07 120.40 124.59 1v1c s VAL 7 Ca 0.38 1.65 0.11 0.00 0.00 0.00 0.00 61.98 64.11 1v1c s VAL 7 Cb -0.19 -4.18 0.19 0.00 0.00 0.00 0.00 36.38 32.20 1v1c s VAL 7 CO 0.20 -0.13 1.09 1.07 0.00 0.00 0.00 175.10 177.33 1v1c n THR 8 N 5.33 0.49 -0.53 3.92 5.66 -1.26 0.06 114.28 127.95 1v1c n THR 8 Ca 0.07 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.17 1v1c n THR 8 Cb 0.47 0.44 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1v1c n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1v1c n ALA 9 N -0.20 1.25 -2.26 1.79 0.00 -1.26 -5.04 120.51 114.79 1v1c n ALA 9 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 1v1c n ALA 9 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -8.44 -3.99 0.00 2.03 -1.26 -4.97 116.55 99.86 1v1c n ASP 10 Ca 0.00 1.69 -0.31 0.00 0.52 0.00 0.00 54.79 56.69 1v1c n ASP 10 Cb 0.19 -4.90 -0.13 0.00 -0.72 0.00 0.00 41.12 35.55 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 -0.56 3.29 -0.21 -0.67 5.04 -1.26 -4.95 117.35 118.03 1v1c s TYR 11 Ca -0.02 -3.07 -0.00 0.00 -2.44 0.00 0.00 57.07 51.54 1v1c s TYR 11 Cb 0.00 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.43 1v1c s TYR 11 CO 0.05 -0.79 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.17 1v1c s LEU 12 N -0.10 2.62 0.65 6.97 2.96 -1.26 -3.13 118.68 127.39 1v1c s LEU 12 Ca 0.16 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 1v1c s LEU 12 Cb -0.24 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1v1c s LEU 12 CO -0.02 -0.05 1.23 -2.65 -1.32 0.00 0.00 176.35 173.54 1v1c n PRO 13 N 4.65 1.03 -3.48 0.98 -0.02 -1.26 -4.97 135.00 131.93 1v1c n PRO 13 Ca -0.19 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 1v1c n PRO 13 Cb 0.49 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.97 5.97 0.00 2.45 1.02 -1.26 -4.97 118.68 117.92 1v1c s LEU 14 Ca 0.81 -2.20 0.00 0.00 0.02 0.00 0.00 54.13 52.76 1v1c s LEU 14 Cb -0.38 -2.07 0.00 0.00 0.02 0.00 0.00 46.19 43.76 1v1c s LEU 14 CO 0.42 -0.65 0.00 0.61 0.02 0.00 0.00 176.35 176.74 1v1c n GLY 15 N 4.56 0.96 3.07 -3.19 0.00 -1.26 -4.80 105.19 104.53 1v1c n GLY 15 Ca -0.02 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 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 2.73 0.08 4.61 0.00 -1.26 -5.10 121.76 120.82 1v1c s ALA 16 Ca 0.00 -2.03 0.08 0.00 0.00 0.00 0.00 51.96 50.01 1v1c s ALA 16 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1v1c s ALA 16 CO 0.00 -1.38 -0.19 -1.21 0.00 0.00 0.00 175.76 172.98 1v1c s GLU 17 N 1.07 1.88 0.26 0.00 2.02 -1.26 -5.13 118.70 117.53 1v1c s GLU 17 Ca -0.02 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 1v1c s GLU 17 Cb -0.20 -2.12 -0.08 0.00 0.10 0.00 0.00 34.13 31.83 1v1c s GLU 17 CO -0.05 0.50 0.66 -0.65 0.02 0.00 0.00 175.26 175.74 1v1c s GLN 18 N -1.81 3.97 -1.97 1.61 -0.21 -1.26 -3.91 119.66 116.09 1v1c s GLN 18 Ca 0.16 0.56 0.00 0.00 0.02 0.00 0.00 55.36 56.10 1v1c s GLN 18 Cb -0.10 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1v1c s GLN 18 CO 0.08 0.28 0.00 -0.25 -2.12 0.00 0.00 175.29 173.27 1v1c n ASP 19 N -0.00 -5.38 -4.41 5.90 9.92 -1.26 -4.96 116.55 116.36 1v1c n ASP 19 Ca 0.01 0.33 -0.33 0.00 -0.53 0.00 0.00 54.79 54.26 1v1c n ASP 19 Cb 0.52 -4.67 -0.14 0.00 -0.64 0.00 0.00 41.12 36.20 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 -2.79 2.74 -0.04 2.24 0.00 -1.25 -3.30 121.76 119.36 1v1c s ALA 20 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1v1c s ALA 20 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1v1c s ALA 20 CO 0.00 0.25 0.09 -1.50 0.00 0.00 0.00 175.76 174.59 1v1c s ILE 21 N 0.34 4.87 -0.27 0.00 2.07 -1.26 -4.96 121.20 121.97 1v1c s ILE 21 Ca -0.09 -0.26 -0.23 0.00 -1.41 0.00 0.00 60.65 58.66 1v1c s ILE 21 Cb -0.15 -3.19 -0.01 0.00 0.13 0.00 0.00 42.46 39.24 1v1c s ILE 21 CO 0.05 0.43 0.76 0.42 -1.91 0.00 0.00 174.94 174.69 1v1c s THR 22 N -1.14 4.85 0.27 4.00 -4.23 -1.26 -4.82 115.64 113.32 1v1c s THR 22 Ca 0.21 1.30 0.11 0.00 -1.18 0.00 0.00 61.69 62.13 1v1c s THR 22 Cb -0.12 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.59 1v1c s THR 22 CO 0.11 -0.13 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.14 1v1c s LEU 23 N 2.81 2.71 0.05 4.79 1.43 -1.18 -5.11 118.68 124.18 1v1c s LEU 23 Ca 0.32 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1v1c s LEU 23 Cb -0.15 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1v1c s LEU 23 CO 0.10 0.04 -0.20 -0.13 0.23 0.00 0.00 176.35 176.39 1v1c s ARG 24 N -3.48 1.29 -0.55 1.70 1.81 -1.26 -4.29 118.95 114.16 1v1c s ARG 24 Ca 0.30 -0.92 -0.26 0.00 -1.72 0.00 0.00 55.73 53.12 1v1c s ARG 24 Cb -0.06 -1.40 -0.06 0.00 -0.45 0.00 0.00 34.95 32.98 1v1c s ARG 24 CO 0.16 0.35 2.28 -2.00 -0.68 0.00 0.00 175.30 175.41 1v1c s GLU 25 N -1.22 2.18 0.00 3.54 2.12 -1.26 -1.97 118.70 122.09 1v1c s GLU 25 Ca 0.06 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.51 1v1c s GLU 25 Cb -0.09 -4.57 0.00 0.00 0.26 0.00 0.00 34.13 29.73 1v1c s GLU 25 CO 0.02 -3.27 0.00 0.41 -0.54 0.00 0.00 175.26 171.88 1v1c n GLY 26 N 6.03 0.72 3.90 -1.50 0.00 0.11 -4.93 105.19 109.52 1v1c n GLY 26 Ca 0.34 0.00 -0.28 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 3.33 -0.09 1.61 -0.21 -0.83 -4.88 119.66 118.59 1v1c s GLN 27 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.81 1v1c s GLN 27 Cb 0.00 -2.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1v1c s GLN 27 CO 0.00 0.55 -0.10 0.71 -2.12 0.00 0.00 175.29 174.33 1v1c s TYR 28 N -1.63 2.85 -0.28 0.91 1.51 -1.26 -2.14 117.35 117.31 1v1c s TYR 28 Ca 0.34 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 56.05 1v1c s TYR 28 Cb -0.12 -1.75 0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1v1c s TYR 28 CO 0.27 0.12 0.64 0.54 -1.11 0.00 0.00 175.55 176.00 1v1c s VAL 29 N -0.36 -0.52 0.54 0.71 0.11 -1.22 -4.33 120.40 115.33 1v1c s VAL 29 Ca 0.04 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1v1c s VAL 29 Cb -0.12 -0.96 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1v1c s VAL 29 CO 0.02 0.01 1.03 -1.83 -3.33 0.00 0.00 175.10 171.00 1v1c s GLU 30 N 2.30 3.64 0.00 1.54 4.04 -1.26 -1.49 118.70 127.47 1v1c s GLU 30 Ca -0.07 1.14 -0.11 0.00 0.04 0.00 0.00 54.97 55.97 1v1c s GLU 30 Cb -0.09 -2.08 -0.05 0.00 0.02 0.00 0.00 34.13 31.93 1v1c s GLU 30 CO -0.19 -0.54 0.34 0.54 -1.84 0.00 0.00 175.26 173.57 1v1c s VAL 31 N -2.43 5.17 -0.02 1.83 0.11 -0.46 -2.80 120.40 121.80 1v1c s VAL 31 Ca 0.62 0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 60.17 1v1c s VAL 31 Cb -0.14 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 1v1c s VAL 31 CO 0.32 0.48 -0.04 0.18 -3.33 0.00 0.00 175.10 172.70 1v1c n LEU 32 N 1.50 0.25 -4.89 2.54 4.77 -0.21 -4.40 117.00 116.57 1v1c n LEU 32 Ca -0.13 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.55 1v1c n LEU 32 Cb 0.53 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1v1c n LEU 32 CO 0.38 -0.48 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.30 1v1c s ASP 33 N -4.39 6.49 0.00 -1.43 2.15 -1.15 -4.98 116.67 113.36 1v1c s ASP 33 Ca -0.03 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.49 1v1c s ASP 33 Cb 0.00 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1v1c s ASP 33 CO 0.05 0.21 0.81 0.00 -0.17 0.00 0.00 175.17 176.07 1v1c n ALA 34 N 0.85 1.87 -1.79 3.66 0.00 -1.26 -2.67 120.51 121.17 1v1c n ALA 34 Ca -0.09 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.13 1v1c n ALA 34 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.66 3.60 -0.16 0.00 0.00 -1.26 -4.37 121.76 118.93 1v1c s ALA 35 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1v1c s ALA 35 Cb 0.00 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1v1c s ALA 35 CO 0.00 -0.91 0.22 0.72 0.00 0.00 0.00 175.76 175.78 1v1c n HIS 36 N 1.17 -4.41 0.23 0.00 8.25 -1.26 -4.66 115.22 114.54 1v1c n HIS 36 Ca 0.03 2.58 0.17 0.00 -0.26 0.00 0.00 57.72 60.24 1v1c n HIS 36 Cb 0.39 -3.85 0.75 0.00 1.12 0.00 0.00 29.99 28.40 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 -0.17 -0.41 0.11 -2.02 -2.58 132.00 130.90 1v1c h PRO 37 Ca -0.49 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1v1c h PRO 37 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1v1c h PRO 37 CO 0.01 0.00 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.31 1v1c h LEU 38 N 0.00 -1.33 -7.46 2.35 -0.00 -1.94 -3.44 115.31 103.49 1v1c h LEU 38 Ca 0.09 0.18 -0.16 0.00 -0.00 0.00 0.00 57.88 57.99 1v1c h LEU 38 Cb 0.93 0.55 -0.25 0.00 -0.00 0.00 0.00 40.66 41.88 1v1c h LEU 38 CO -0.00 -0.42 -0.40 0.00 -0.00 0.00 0.00 178.44 177.63 1v1c s ARG 39 N -5.88 0.33 0.13 1.13 1.70 -0.97 -4.69 118.95 110.69 1v1c s ARG 39 Ca -0.15 0.36 0.09 0.00 -0.47 0.00 0.00 55.73 55.56 1v1c s ARG 39 Cb 0.10 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 1v1c s ARG 39 CO 0.64 -0.04 -0.15 -1.58 -1.08 0.00 0.00 175.30 173.09 1v1c s TRP 40 N 0.11 2.59 0.13 5.89 0.51 -1.12 -4.70 118.94 122.34 1v1c s TRP 40 Ca -0.00 -0.24 -0.25 0.00 -2.12 0.00 0.00 56.10 53.49 1v1c s TRP 40 Cb -0.02 -1.34 -0.07 0.00 -0.81 0.00 0.00 33.47 31.22 1v1c s TRP 40 CO 0.00 0.42 0.76 -1.17 -0.51 0.00 0.00 176.95 176.46 1v1c s LEU 41 N -2.32 4.56 0.04 2.99 2.96 -1.09 -2.40 118.68 123.41 1v1c s LEU 41 Ca 0.20 1.57 -0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1v1c s LEU 41 Cb -0.10 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1v1c s LEU 41 CO 0.12 0.17 -0.03 0.68 -1.32 0.00 0.00 176.35 175.97 1v1c s VAL 42 N -0.89 0.20 -0.18 1.68 -7.23 -0.84 -1.04 120.40 112.10 1v1c s VAL 42 Ca 0.36 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1v1c s VAL 42 Cb -0.22 -1.00 0.05 0.00 0.56 0.00 0.00 36.38 35.77 1v1c s VAL 42 CO 0.25 -0.78 0.01 -0.60 -0.31 0.00 0.00 175.10 173.66 1v1c s ARG 43 N -2.88 0.89 0.42 4.82 3.52 -1.12 -1.89 118.95 122.70 1v1c s ARG 43 Ca -0.02 -0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 54.88 1v1c s ARG 43 Cb 0.00 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 31.28 1v1c s ARG 43 CO -0.06 -0.57 1.24 0.95 -0.81 0.00 0.00 175.30 176.05 1v1c s THR 44 N 1.78 2.84 -0.02 4.11 -4.23 -1.16 -4.05 115.64 114.90 1v1c s THR 44 Ca -0.01 0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 1v1c s THR 44 Cb -0.16 -3.40 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 1v1c s THR 44 CO -0.07 0.07 1.81 -0.54 -0.54 0.00 0.00 174.62 175.34 1v1c s LYS 45 N -2.38 4.13 0.50 3.99 1.02 -1.26 -4.38 119.74 121.36 1v1c s LYS 45 Ca 0.59 2.36 -0.21 0.00 0.02 0.00 0.00 55.97 58.73 1v1c s LYS 45 Cb -0.34 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 32.82 1v1c s LYS 45 CO 0.43 -0.94 1.13 -1.25 -0.92 0.00 0.00 175.35 173.80 1v1c s PRO 46 N 4.30 3.57 0.00 -1.68 0.04 -1.26 -5.02 135.00 134.95 1v1c s PRO 46 Ca 0.81 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1v1c s PRO 46 Cb -0.37 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1v1c s PRO 46 CO 0.35 -0.68 0.00 0.25 0.04 0.00 0.00 177.00 176.97 1v1c n THR 47 N -0.92 0.00 0.73 1.26 -2.24 -0.52 -4.94 114.28 107.65 1v1c n THR 47 Ca 0.10 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1v1c n THR 47 Cb 0.50 -0.37 0.47 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.11 0.02 0.00 -0.78 4.81 -1.26 -3.52 118.16 117.33 1v1c n LYS 48 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1v1c n LYS 48 Cb 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1v1c n LYS 48 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1v1c n SER 49 N -1.57 0.00 -4.06 3.14 2.88 -1.26 -5.04 113.62 107.71 1v1c n SER 49 Ca 0.05 -1.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.27 1v1c n SER 49 Cb 0.26 0.00 -0.15 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 0.00 4.10 0.77 -3.46 0.15 -1.23 -5.12 113.70 108.92 1v1c s SER 50 Ca 0.00 -1.22 -0.11 0.00 0.70 0.00 0.00 55.95 55.31 1v1c s SER 50 Cb 0.00 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.89 1v1c s SER 50 CO 0.00 -0.16 1.11 -2.16 1.20 0.00 0.00 173.24 173.22 1v1c s PRO 51 N 1.18 2.16 -0.25 5.44 0.04 -1.26 -1.43 135.00 140.87 1v1c s PRO 51 Ca -0.06 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1v1c s PRO 51 Cb -0.19 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1v1c s PRO 51 CO -0.07 -1.74 1.76 -1.54 0.04 0.00 0.00 177.00 175.46 1v1c s SER 52 N -3.11 6.10 0.19 6.66 1.04 -1.26 -4.73 113.70 118.59 1v1c s SER 52 Ca 0.63 1.56 0.08 0.00 0.48 0.00 0.00 55.95 58.70 1v1c s SER 52 Cb -0.19 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1v1c s SER 52 CO 0.54 -1.49 0.00 -0.60 0.98 0.00 0.00 173.24 172.66 1v1c s ARG 53 N 5.21 2.39 -0.03 4.02 6.06 -1.26 -5.05 118.95 130.30 1v1c s ARG 53 Ca 0.78 -1.15 0.01 0.00 -2.50 0.00 0.00 55.73 52.87 1v1c s ARG 53 Cb -0.25 -2.33 0.02 0.00 0.06 0.00 0.00 34.95 32.45 1v1c s ARG 53 CO 0.32 0.44 -0.02 -0.65 -2.50 0.00 0.00 175.30 172.89 1v1c s GLN 54 N -3.07 0.53 0.15 5.12 -0.21 -1.26 -3.01 119.66 117.91 1v1c s GLN 54 Ca 0.28 -0.03 -0.13 0.00 0.02 0.00 0.00 55.36 55.51 1v1c s GLN 54 Cb -0.09 -0.61 0.01 0.00 1.00 0.00 0.00 33.01 33.32 1v1c s GLN 54 CO 0.19 -0.09 0.36 0.20 -2.12 0.00 0.00 175.29 173.84 1v1c s GLY 55 N 0.85 0.08 0.06 3.09 0.00 -0.79 -4.86 107.32 105.75 1v1c s GLY 55 Ca -0.10 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 43.99 1v1c s GLY 55 CO -0.01 -0.55 0.52 -0.98 0.00 0.00 0.00 173.10 172.08 1v1c s TRP 56 N -3.89 3.76 0.22 1.90 0.52 -1.21 -1.98 118.94 118.27 1v1c s TRP 56 Ca 0.10 1.16 0.00 0.00 0.02 0.00 0.00 56.10 57.37 1v1c s TRP 56 Cb 0.02 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 1v1c s TRP 56 CO -0.05 0.59 0.14 0.14 0.02 0.00 0.00 176.95 177.78 1v1c s VAL 57 N -1.15 0.11 -0.36 4.03 -7.23 -1.01 -4.44 120.40 110.36 1v1c s VAL 57 Ca 0.29 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.32 1v1c s VAL 57 Cb -0.18 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1v1c s VAL 57 CO 0.17 0.00 0.27 -0.44 -0.31 0.00 0.00 175.10 174.80 1v1c s SER 58 N -3.21 6.09 0.00 4.85 0.01 -1.26 -2.80 113.70 117.37 1v1c s SER 58 Ca 0.39 -0.52 0.12 0.00 1.31 0.00 0.00 55.95 57.24 1v1c s SER 58 Cb 0.07 -2.15 0.58 0.00 0.21 0.00 0.00 66.02 64.73 1v1c s SER 58 CO 0.14 -0.31 1.27 -0.81 0.41 0.00 0.00 173.24 173.94 1v1c n PRO 59 N 5.16 0.16 0.21 12.44 -0.04 -1.26 -2.43 135.00 149.24 1v1c n PRO 59 Ca -0.12 0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1v1c n PRO 59 Cb 0.49 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.04 1v1c n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v1c h ALA 60 N 2.54 1.00 -0.05 0.55 0.00 -1.93 -2.69 119.26 118.68 1v1c h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v1c h ALA 60 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1v1c h ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1v1c n TYR 61 N -2.68 0.10 -4.04 0.00 4.01 -1.02 -5.01 117.16 108.51 1v1c n TYR 61 Ca 0.01 -0.64 -0.35 0.00 -0.16 0.00 0.00 57.90 56.76 1v1c n TYR 61 Cb 0.27 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.53 3.97 -0.25 7.72 1.02 -1.02 -4.30 118.68 124.29 1v1c s LEU 62 Ca 0.12 0.24 -0.06 0.00 0.02 0.00 0.00 54.13 54.45 1v1c s LEU 62 Cb 0.10 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1v1c s LEU 62 CO 0.03 0.31 0.03 -0.62 0.02 0.00 0.00 176.35 176.12 1v1c s ASP 63 N -0.43 4.85 0.01 2.29 -1.08 -1.18 -4.96 116.67 116.18 1v1c s ASP 63 Ca 0.10 -0.39 -0.30 0.00 -0.52 0.00 0.00 52.55 51.44 1v1c s ASP 63 Cb -0.12 -1.85 -0.08 0.00 -1.46 0.00 0.00 42.92 39.41 1v1c s ASP 63 CO 0.02 -0.07 1.84 0.00 0.52 0.00 0.00 175.17 177.48 1v1c s ARG 64 N 1.54 4.16 -0.04 4.34 3.03 -1.26 -2.17 118.95 128.55 1v1c s ARG 64 Ca 0.05 2.46 -0.04 0.00 2.03 0.00 0.00 55.73 60.23 1v1c s ARG 64 Cb -0.15 -4.04 0.01 0.00 -1.03 0.00 0.00 34.95 29.74 1v1c s ARG 64 CO 0.01 -0.90 0.12 0.50 -1.13 0.00 0.00 175.30 173.90 1v1c s ARG 65 N 4.12 0.17 -0.24 3.89 3.52 -1.18 -4.97 118.95 124.27 1v1c s ARG 65 Ca 0.82 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1v1c s ARG 65 Cb -0.40 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.11 1v1c s ARG 65 CO 0.37 -0.02 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.55 1v1c s LEU 66 N -0.07 3.04 0.09 -0.88 2.96 -1.26 -3.93 118.68 118.63 1v1c s LEU 66 Ca -0.01 -1.01 0.20 0.00 -0.22 0.00 0.00 54.13 53.08 1v1c s LEU 66 Cb -0.02 -1.58 -0.11 0.00 0.50 0.00 0.00 46.19 44.98 1v1c s LEU 66 CO 0.00 -0.12 0.83 2.29 -1.32 0.00 0.00 176.35 178.03 1v1c n LYS 67 N 4.57 0.62 0.00 1.98 2.85 -1.26 -5.15 118.16 121.77 1v1c n LYS 67 Ca -0.17 0.13 0.14 0.00 -1.05 0.00 0.00 58.31 57.37 1v1c n LYS 67 Cb 0.46 -1.77 0.59 0.00 -0.65 0.00 0.00 35.03 33.66 1v1c n LYS 67 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63