#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 3.58 -0.27 1.39 0.08 -1.26 -5.02 117.98 116.49 1v1c s PHE 2 Ca 0.00 1.68 -0.03 0.00 0.12 0.00 0.00 56.93 58.71 1v1c s PHE 2 Cb 0.00 -3.28 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 1v1c s PHE 2 CO 0.00 -0.56 -0.02 0.34 -0.10 0.00 0.00 175.22 174.87 1v1c s ASP 3 N -0.76 4.57 -0.24 1.36 -1.08 -1.26 -4.88 116.67 114.38 1v1c s ASP 3 Ca 0.45 -0.90 -0.25 0.00 -0.52 0.00 0.00 52.55 51.33 1v1c s ASP 3 Cb -0.32 -1.71 -0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1v1c s ASP 3 CO 0.40 -0.16 0.84 -0.63 0.52 0.00 0.00 175.17 176.14 1v1c s ILE 4 N 1.35 4.83 0.22 4.11 1.01 -1.25 -1.38 121.20 130.08 1v1c s ILE 4 Ca -0.00 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.25 1v1c s ILE 4 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1v1c s ILE 4 CO -0.03 -0.08 0.40 -0.31 0.00 0.00 0.00 174.94 174.92 1v1c s TYR 5 N 2.84 3.48 -0.13 3.97 1.51 -0.50 -2.04 117.35 126.49 1v1c s TYR 5 Ca 0.35 0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 56.66 1v1c s TYR 5 Cb -0.15 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1v1c s TYR 5 CO 0.07 0.37 -0.06 0.54 -1.11 0.00 0.00 175.55 175.36 1v1c s VAL 6 N -1.93 3.69 -0.29 0.71 0.11 -0.61 -2.43 120.40 119.65 1v1c s VAL 6 Ca 0.38 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.78 1v1c s VAL 6 Cb -0.11 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1v1c s VAL 6 CO 0.30 0.53 0.62 -0.69 -3.33 0.00 0.00 175.10 172.53 1v1c s VAL 7 N 0.07 4.95 -0.11 2.04 1.01 -0.82 -3.01 120.40 124.53 1v1c s VAL 7 Ca -0.01 0.92 0.14 0.00 0.00 0.00 0.00 61.98 63.02 1v1c s VAL 7 Cb -0.14 -3.98 0.29 0.00 0.00 0.00 0.00 36.38 32.56 1v1c s VAL 7 CO 0.03 -0.09 1.15 0.35 0.00 0.00 0.00 175.10 176.54 1v1c n THR 8 N 5.34 1.43 -1.24 3.92 -2.24 -1.26 0.07 114.28 120.30 1v1c n THR 8 Ca -0.01 -2.00 0.04 0.00 -2.27 0.00 0.00 64.05 59.81 1v1c n THR 8 Cb 0.49 0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.87 1.97 -0.64 6.98 0.00 -1.26 -5.02 120.51 121.67 1v1c n ALA 9 Ca 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1v1c n ALA 9 Cb 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1v1c n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1v1c n ASP 10 N -0.62 0.00 -2.62 0.00 8.00 -1.26 -4.80 116.55 115.25 1v1c n ASP 10 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.53 1v1c n ASP 10 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1v1c n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v1c n TYR 11 N 0.00 -3.39 -4.05 1.24 4.19 -1.26 -3.56 117.16 110.33 1v1c n TYR 11 Ca 0.00 1.46 -0.34 0.00 3.31 0.00 0.00 57.90 62.33 1v1c n TYR 11 Cb 0.00 -3.77 -0.15 0.00 0.49 0.00 0.00 39.34 35.91 1v1c n TYR 11 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1v1c s LEU 12 N -1.82 2.55 0.32 2.98 1.43 -1.26 -3.73 118.68 119.15 1v1c s LEU 12 Ca 0.08 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1v1c s LEU 12 Cb -0.02 -1.56 -0.11 0.00 0.03 0.00 0.00 46.19 44.52 1v1c s LEU 12 CO 0.69 -0.04 1.57 -2.65 0.23 0.00 0.00 176.35 176.15 1v1c n PRO 13 N 4.65 2.72 -3.72 1.29 -0.02 -1.26 -4.98 135.00 133.67 1v1c n PRO 13 Ca -0.19 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 1v1c n PRO 13 Cb 0.49 -2.74 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 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 -0.98 5.35 0.00 2.45 2.34 -1.26 -4.96 118.68 121.62 1v1c s LEU 14 Ca 0.61 -2.19 0.00 0.00 0.06 0.00 0.00 54.13 52.61 1v1c s LEU 14 Cb -0.48 -1.87 0.00 0.00 -0.56 0.00 0.00 46.19 43.28 1v1c s LEU 14 CO 0.53 -0.54 0.00 0.61 -1.06 0.00 0.00 176.35 175.90 1v1c n GLY 15 N 4.42 0.59 2.92 -3.48 0.00 -1.26 -4.89 105.19 103.48 1v1c n GLY 15 Ca -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 1.91 0.02 4.61 0.00 -1.26 -5.12 121.76 119.92 1v1c s ALA 16 Ca 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1v1c s ALA 16 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1v1c s ALA 16 CO 0.00 -1.24 0.30 -1.83 0.00 0.00 0.00 175.76 172.99 1v1c s GLU 17 N 1.42 3.64 -0.07 0.00 4.04 -1.26 -5.10 118.70 121.36 1v1c s GLU 17 Ca -0.04 0.01 0.02 0.00 0.04 0.00 0.00 54.97 55.00 1v1c s GLU 17 Cb -0.19 -3.08 -0.03 0.00 0.02 0.00 0.00 34.13 30.86 1v1c s GLU 17 CO -0.07 0.64 -0.11 1.14 -1.84 0.00 0.00 175.26 175.02 1v1c s GLN 18 N -1.71 2.77 -1.54 -4.83 -2.07 -1.26 -4.54 119.66 106.48 1v1c s GLN 18 Ca 0.28 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1v1c s GLN 18 Cb -0.14 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 1v1c s GLN 18 CO 0.16 0.57 0.00 -0.25 -1.32 0.00 0.00 175.29 174.45 1v1c n ASP 19 N 2.48 -4.54 -4.73 12.60 8.00 -1.26 -4.94 116.55 124.17 1v1c n ASP 19 Ca -0.18 0.36 -0.24 0.00 0.71 0.00 0.00 54.79 55.44 1v1c n ASP 19 Cb 0.53 -3.88 -0.07 0.00 -0.02 0.00 0.00 41.12 37.67 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 -2.20 3.54 -0.03 2.24 0.00 -1.26 -2.60 121.76 121.44 1v1c s ALA 20 Ca 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.94 1v1c s ALA 20 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1v1c s ALA 20 CO 0.00 -0.10 -0.03 -1.50 0.00 0.00 0.00 175.76 174.12 1v1c s ILE 21 N -2.55 0.43 0.59 0.00 2.07 -1.26 -4.82 121.20 115.66 1v1c s ILE 21 Ca 0.40 -0.08 -0.20 0.00 -1.41 0.00 0.00 60.65 59.36 1v1c s ILE 21 Cb 0.02 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 1v1c s ILE 21 CO 0.22 0.19 1.31 0.28 -1.91 0.00 0.00 174.94 175.03 1v1c s THR 22 N 0.81 2.16 0.07 4.00 -1.32 -1.26 -4.99 115.64 115.10 1v1c s THR 22 Ca -0.10 0.11 -0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1v1c s THR 22 Cb -0.13 -3.05 -0.02 0.00 -1.51 0.00 0.00 72.50 67.79 1v1c s THR 22 CO -0.00 -0.01 0.10 -0.76 -2.21 0.00 0.00 174.62 171.74 1v1c s LEU 23 N -3.94 1.84 0.09 9.08 1.43 -1.24 -5.11 118.68 120.82 1v1c s LEU 23 Ca 0.77 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1v1c s LEU 23 Cb -0.38 0.70 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1v1c s LEU 23 CO 0.42 -0.66 -0.11 -0.13 0.23 0.00 0.00 176.35 176.09 1v1c s ARG 24 N -3.75 0.86 -0.74 1.70 0.52 -1.23 -4.48 118.95 111.82 1v1c s ARG 24 Ca 0.05 -1.11 -0.26 0.00 -0.52 0.00 0.00 55.73 53.89 1v1c s ARG 24 Cb 0.05 -0.65 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 1v1c s ARG 24 CO -0.10 0.12 2.22 -2.00 0.02 0.00 0.00 175.30 175.56 1v1c s GLU 25 N -2.48 2.06 0.00 3.54 2.12 -1.25 -1.89 118.70 120.80 1v1c s GLU 25 Ca 0.04 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1v1c s GLU 25 Cb -0.05 -4.77 0.00 0.00 0.26 0.00 0.00 34.13 29.57 1v1c s GLU 25 CO 0.01 -3.74 0.00 0.41 -0.54 0.00 0.00 175.26 171.40 1v1c n GLY 26 N 6.53 1.24 3.87 -1.50 0.00 0.11 -4.93 105.19 110.51 1v1c n GLY 26 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 3.31 -0.05 1.61 -1.52 -0.79 -4.90 119.66 117.31 1v1c s GLN 27 Ca 0.00 -0.41 0.03 0.00 -1.95 0.00 0.00 55.36 53.03 1v1c s GLN 27 Cb 0.00 -3.00 -0.03 0.00 -0.22 0.00 0.00 33.01 29.76 1v1c s GLN 27 CO 0.00 0.65 -0.14 0.71 -0.25 0.00 0.00 175.29 176.26 1v1c s TYR 28 N -1.34 2.73 -0.28 0.91 2.02 -1.26 -1.94 117.35 118.19 1v1c s TYR 28 Ca 0.28 -0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 1v1c s TYR 28 Cb -0.13 -1.64 0.11 0.00 -0.40 0.00 0.00 41.96 39.90 1v1c s TYR 28 CO 0.20 0.19 0.63 0.54 -1.57 0.00 0.00 175.55 175.54 1v1c s VAL 29 N -0.72 -0.58 0.54 0.71 0.11 -1.02 -4.35 120.40 115.09 1v1c s VAL 29 Ca 0.11 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 59.01 1v1c s VAL 29 Cb -0.11 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1v1c s VAL 29 CO 0.01 0.01 1.03 -1.83 -3.33 0.00 0.00 175.10 170.98 1v1c s GLU 30 N 2.37 3.65 0.13 1.54 -1.05 -1.25 -1.41 118.70 122.68 1v1c s GLU 30 Ca -0.07 1.14 -0.13 0.00 -0.15 0.00 0.00 54.97 55.76 1v1c s GLU 30 Cb -0.09 -2.08 -0.07 0.00 -0.44 0.00 0.00 34.13 31.44 1v1c s GLU 30 CO -0.18 -0.53 0.52 0.54 0.95 0.00 0.00 175.26 176.55 1v1c s VAL 31 N -2.42 4.90 0.00 1.83 0.11 -0.48 -2.76 120.40 121.59 1v1c s VAL 31 Ca 0.63 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.44 1v1c s VAL 31 Cb -0.14 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1v1c s VAL 31 CO 0.31 0.26 0.00 0.18 -3.33 0.00 0.00 175.10 172.52 1v1c n LEU 32 N 0.84 0.00 0.00 2.54 4.77 -0.15 -4.31 117.00 120.70 1v1c n LEU 32 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1v1c n LEU 32 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1v1c n LEU 32 CO 0.42 0.00 0.12 -0.67 -1.33 0.00 0.00 177.39 175.93 1v1c n ASP 33 N -1.10 0.00 -1.24 -1.43 2.03 -1.22 -4.89 116.55 108.69 1v1c n ASP 33 Ca 0.00 0.26 -0.16 0.00 0.52 0.00 0.00 54.79 55.41 1v1c n ASP 33 Cb 0.00 -0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.30 1v1c n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v1c n ALA 34 N -0.59 -0.25 0.51 -1.67 0.00 -1.26 -4.83 120.51 112.42 1v1c n ALA 34 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.83 1v1c n ALA 34 Cb 0.00 -1.81 0.35 0.00 0.00 0.00 0.00 19.45 18.00 1v1c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v1c h ALA 35 N 0.00 1.00 -2.68 0.00 0.00 -1.90 -3.43 119.26 112.25 1v1c h ALA 35 Ca -0.33 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.95 1v1c h ALA 35 Cb 1.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1v1c h ALA 35 CO 0.48 0.00 -0.21 -1.01 0.00 0.00 0.00 179.25 178.52 1v1c s HIS 36 N -3.15 3.24 0.60 0.00 3.76 -1.26 -4.96 115.29 113.52 1v1c s HIS 36 Ca 0.09 0.37 0.29 0.00 -0.15 0.00 0.00 55.06 55.66 1v1c s HIS 36 Cb 0.10 -2.62 1.52 0.00 1.11 0.00 0.00 32.58 32.69 1v1c s HIS 36 CO 0.61 -0.28 1.93 -1.35 -0.85 0.00 0.00 174.74 174.80 1v1c h PRO 37 N 8.21 0.00 0.00 8.40 0.11 -2.03 -3.31 132.00 143.38 1v1c h PRO 37 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 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 0.66 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 1v1c n LEU 38 N -3.63 0.34 -4.91 2.35 4.77 -1.26 -4.97 117.00 109.68 1v1c n LEU 38 Ca 0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 1v1c n LEU 38 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1v1c n LEU 38 CO 0.26 0.00 -0.15 -0.60 -1.33 0.00 0.00 177.39 175.57 1v1c s ARG 39 N 0.00 3.44 -0.06 3.23 3.52 -1.25 -4.78 118.95 123.06 1v1c s ARG 39 Ca 0.00 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1v1c s ARG 39 Cb 0.00 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 1v1c s ARG 39 CO 0.00 0.64 -0.12 -1.58 -0.81 0.00 0.00 175.30 173.43 1v1c s TRP 40 N -1.41 2.77 0.11 5.12 0.51 -1.25 -4.31 118.94 120.48 1v1c s TRP 40 Ca 0.31 -0.12 -0.26 0.00 -2.12 0.00 0.00 56.10 53.91 1v1c s TRP 40 Cb -0.13 -1.66 -0.07 0.00 -0.81 0.00 0.00 33.47 30.81 1v1c s TRP 40 CO 0.23 0.22 0.82 -1.17 -0.51 0.00 0.00 176.95 176.53 1v1c s LEU 41 N -0.73 4.53 0.06 2.99 2.96 -1.26 -3.18 118.68 124.05 1v1c s LEU 41 Ca 0.11 1.62 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1v1c s LEU 41 Cb -0.11 -3.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1v1c s LEU 41 CO 0.01 0.08 0.05 0.68 -1.32 0.00 0.00 176.35 175.85 1v1c s VAL 42 N -0.52 0.19 -0.05 1.68 -7.23 -1.18 -0.98 120.40 112.30 1v1c s VAL 42 Ca 0.39 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1v1c s VAL 42 Cb -0.22 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.36 1v1c s VAL 42 CO 0.26 -0.85 0.01 0.00 -0.31 0.00 0.00 175.10 174.21 1v1c s ARG 43 N -3.74 0.38 0.50 4.82 1.70 -1.11 -1.47 118.95 120.03 1v1c s ARG 43 Ca 0.05 0.14 -0.20 0.00 -0.47 0.00 0.00 55.73 55.25 1v1c s ARG 43 Cb 0.06 -0.71 -0.07 0.00 -0.57 0.00 0.00 34.95 33.65 1v1c s ARG 43 CO -0.10 -0.24 1.09 0.95 -1.08 0.00 0.00 175.30 175.92 1v1c s THR 44 N 1.64 3.46 -0.08 4.99 -4.23 -0.90 -3.84 115.64 116.69 1v1c s THR 44 Ca -0.01 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.15 1v1c s THR 44 Cb -0.13 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 1v1c s THR 44 CO -0.03 -0.16 1.15 -0.54 -0.54 0.00 0.00 174.62 174.50 1v1c s LYS 45 N -3.15 4.36 0.60 3.99 1.02 -1.26 -4.33 119.74 120.97 1v1c s LYS 45 Ca 0.68 1.60 -0.10 0.00 0.02 0.00 0.00 55.97 58.17 1v1c s LYS 45 Cb -0.21 -3.57 0.14 0.00 -0.52 0.00 0.00 37.83 33.67 1v1c s LYS 45 CO 0.25 -0.44 0.78 -0.35 -0.92 0.00 0.00 175.35 174.66 1v1c n PRO 46 N 5.29 -0.96 -3.59 -1.68 -0.04 -1.26 -5.05 135.00 127.71 1v1c n PRO 46 Ca 0.11 -1.21 -0.09 0.00 -0.04 0.00 0.00 63.50 62.26 1v1c n PRO 46 Cb 0.47 -0.84 -0.05 0.00 -0.04 0.00 0.00 33.50 33.04 1v1c n PRO 46 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1v1c s THR 47 N -2.67 0.00 -1.29 0.52 -1.32 -1.26 -4.97 115.64 104.64 1v1c s THR 47 Ca 0.45 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.90 1v1c s THR 47 Cb -0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1v1c s THR 47 CO 0.32 0.00 0.95 1.17 -2.21 0.00 0.00 174.62 174.85 1v1c n LYS 48 N 0.82 -6.30 -3.30 7.08 4.81 -1.26 -3.38 118.16 116.63 1v1c n LYS 48 Ca -0.09 0.76 -0.11 0.00 -0.87 0.00 0.00 58.31 57.99 1v1c n LYS 48 Cb 0.58 -5.64 0.00 0.00 0.02 0.00 0.00 35.03 29.99 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 -3.06 -6.73 -4.03 3.14 2.88 -1.26 -5.02 113.62 99.54 1v1c n SER 49 Ca -0.20 -0.31 -0.21 0.00 -1.33 0.00 0.00 58.87 56.82 1v1c n SER 49 Cb 0.64 -3.93 -0.16 0.00 -0.75 0.00 0.00 64.21 60.01 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 -2.87 1.40 -0.11 -3.46 0.01 -1.22 -5.10 113.70 102.35 1v1c s SER 50 Ca 0.05 -0.22 -0.35 0.00 1.31 0.00 0.00 55.95 56.74 1v1c s SER 50 Cb -0.01 -0.38 -0.13 0.00 0.21 0.00 0.00 66.02 65.72 1v1c s SER 50 CO 0.81 0.08 1.84 -0.81 0.41 0.00 0.00 173.24 175.57 1v1c n PRO 51 N 3.27 1.99 -2.14 12.44 -0.04 -1.26 -4.51 135.00 144.75 1v1c n PRO 51 Ca -0.18 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 1v1c n PRO 51 Cb 0.54 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.82 6.76 0.28 3.54 1.04 -1.26 -4.94 113.70 122.95 1v1c s SER 52 Ca 0.93 2.10 -0.05 0.00 0.48 0.00 0.00 55.95 59.41 1v1c s SER 52 Cb -0.76 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 62.76 1v1c s SER 52 CO 0.54 -0.84 0.55 -0.13 0.98 0.00 0.00 173.24 174.34 1v1c s ARG 53 N 3.50 3.64 -0.11 4.02 1.81 -1.26 -4.99 118.95 125.57 1v1c s ARG 53 Ca 0.67 0.03 -0.05 0.00 -1.72 0.00 0.00 55.73 54.66 1v1c s ARG 53 Cb -0.31 -2.65 0.05 0.00 -0.45 0.00 0.00 34.95 31.60 1v1c s ARG 53 CO 0.26 0.22 0.24 1.14 -0.68 0.00 0.00 175.30 176.48 1v1c s GLN 54 N -3.49 0.20 0.11 3.54 1.03 -1.26 -2.12 119.66 117.67 1v1c s GLN 54 Ca 0.44 0.54 -0.13 0.00 0.04 0.00 0.00 55.36 56.25 1v1c s GLN 54 Cb -0.11 -0.12 0.02 0.00 0.03 0.00 0.00 33.01 32.84 1v1c s GLN 54 CO 0.29 -0.17 0.32 0.20 -2.54 0.00 0.00 175.29 173.39 1v1c s GLY 55 N 1.36 -0.14 0.17 2.60 0.00 -0.54 -4.91 107.32 105.86 1v1c s GLY 55 Ca -0.08 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 1v1c s GLY 55 CO -0.08 -0.49 1.13 -0.98 0.00 0.00 0.00 173.10 172.68 1v1c s TRP 56 N -3.81 3.54 0.14 1.90 0.52 -1.07 -3.13 118.94 117.03 1v1c s TRP 56 Ca 0.04 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1v1c s TRP 56 Cb 0.03 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.99 1v1c s TRP 56 CO -0.12 -0.78 -0.03 0.14 0.02 0.00 0.00 176.95 176.19 1v1c s VAL 57 N -0.11 0.67 -0.39 4.03 -7.23 -1.19 -4.20 120.40 111.98 1v1c s VAL 57 Ca 0.51 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 1v1c s VAL 57 Cb -0.30 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.74 1v1c s VAL 57 CO 0.35 -0.66 0.96 -0.94 -0.31 0.00 0.00 175.10 174.50 1v1c s SER 58 N -3.11 6.67 0.00 4.85 1.04 -1.26 -3.76 113.70 118.13 1v1c s SER 58 Ca 0.18 0.54 0.14 0.00 0.48 0.00 0.00 55.95 57.29 1v1c s SER 58 Cb 0.06 -2.48 0.63 0.00 0.10 0.00 0.00 66.02 64.33 1v1c s SER 58 CO -0.00 -0.93 1.40 -0.81 0.98 0.00 0.00 173.24 173.88 1v1c n PRO 59 N 6.95 0.09 -0.19 4.02 -0.04 -1.26 -2.90 135.00 141.67 1v1c n PRO 59 Ca 0.08 0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1v1c n PRO 59 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.55 0.75 -0.45 0.55 0.00 -1.94 -2.66 119.26 118.04 1v1c h ALA 60 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1v1c h ALA 60 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v1c h ALA 60 CO 0.00 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1v1c n TYR 61 N -4.18 0.92 -4.27 0.00 4.01 -1.14 -4.89 117.16 107.61 1v1c n TYR 61 Ca 0.02 -0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.04 1v1c n TYR 61 Cb 0.39 -0.14 -0.09 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.30 3.61 -0.15 7.72 1.02 -1.01 -4.14 118.68 124.43 1v1c s LEU 62 Ca 0.34 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.56 1v1c s LEU 62 Cb 0.21 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.44 1v1c s LEU 62 CO 0.18 0.31 -0.13 -0.62 0.02 0.00 0.00 176.35 176.11 1v1c s ASP 63 N -1.38 2.73 0.28 2.29 -1.08 -1.16 -4.94 116.67 113.41 1v1c s ASP 63 Ca 0.18 -0.52 -0.30 0.00 -0.52 0.00 0.00 52.55 51.39 1v1c s ASP 63 Cb -0.12 -1.17 -0.13 0.00 -1.46 0.00 0.00 42.92 40.05 1v1c s ASP 63 CO 0.08 -0.07 1.36 -2.11 0.52 0.00 0.00 175.17 174.95 1v1c n ARG 64 N 4.77 2.07 -3.73 4.34 0.00 -1.26 -1.57 116.66 121.28 1v1c n ARG 64 Ca -0.17 0.73 -0.15 0.00 -0.00 0.00 0.00 57.85 58.27 1v1c n ARG 64 Cb 0.50 -2.36 -0.15 0.00 -0.00 0.00 0.00 32.46 30.45 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 -1.00 0.06 -0.08 2.89 6.06 -0.87 -4.87 118.95 121.13 1v1c s ARG 65 Ca 0.63 0.39 0.02 0.00 -2.50 0.00 0.00 55.73 54.27 1v1c s ARG 65 Cb -0.61 -0.22 -0.02 0.00 0.06 0.00 0.00 34.95 34.15 1v1c s ARG 65 CO 0.55 -0.20 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.50 1v1c s LEU 66 N 1.43 2.72 0.00 -0.88 1.02 -1.26 -3.93 118.68 117.78 1v1c s LEU 66 Ca -0.06 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.84 1v1c s LEU 66 Cb -0.12 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.51 1v1c s LEU 66 CO -0.05 0.27 0.00 0.29 0.02 0.00 0.00 176.35 176.88 1v1c n LYS 67 N 2.82 -2.31 0.00 1.70 5.02 -1.26 -5.16 118.16 118.96 1v1c n LYS 67 Ca -0.18 1.52 0.08 0.00 -2.02 0.00 0.00 58.31 57.72 1v1c n LYS 67 Cb 0.52 -2.82 0.07 0.00 -0.02 0.00 0.00 35.03 32.78 1v1c n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16