#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n VAL 2 N 0.00 -0.08 -3.71 3.17 3.14 -1.26 -2.82 118.33 116.78 2wri n VAL 2 Ca 0.00 -0.71 -0.35 0.00 -2.96 0.00 0.00 64.34 60.31 2wri n VAL 2 Cb 0.00 -2.54 -0.08 0.00 -1.06 0.00 0.00 33.84 30.16 2wri n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wri s LYS 3 N 8.39 4.18 -0.87 1.45 1.02 -0.78 -1.87 119.74 131.25 2wri s LYS 3 Ca 1.02 -0.21 -0.23 0.00 0.02 0.00 0.00 55.97 56.58 2wri s LYS 3 Cb -0.29 -3.44 0.07 0.00 -0.52 0.00 0.00 37.83 33.65 2wri s LYS 3 CO 0.28 0.26 1.25 0.42 -0.92 0.00 0.00 175.35 176.64 2wri s ILE 4 N 0.47 4.15 0.00 2.17 1.01 -1.17 -2.35 121.20 125.49 2wri s ILE 4 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2wri s ILE 4 Cb -0.11 -4.89 0.00 0.00 0.01 0.00 0.00 42.46 37.46 2wri s ILE 4 CO -0.01 -1.73 0.00 -2.11 0.00 0.00 0.00 174.94 171.09 2wri n ARG 5 N 8.20 3.94 -4.53 2.79 1.85 -0.72 -2.91 116.66 125.29 2wri n ARG 5 Ca 0.18 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.69 2wri n ARG 5 Cb 0.49 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.79 2wri n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wri s LEU 6 N 0.00 3.25 -0.09 2.89 1.02 -1.26 -2.24 118.68 122.25 2wri s LEU 6 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.15 2wri s LEU 6 Cb 0.00 -1.76 0.01 0.00 0.02 0.00 0.00 46.19 44.46 2wri s LEU 6 CO 0.00 0.34 -0.17 0.00 0.02 0.00 0.00 176.35 176.54 2wri s ALA 7 N -0.89 1.69 -0.13 4.21 0.00 -0.51 -4.92 121.76 121.20 2wri s ALA 7 Ca 0.14 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2wri s ALA 7 Cb -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2wri s ALA 7 CO 0.04 0.07 0.48 0.50 0.00 0.00 0.00 175.76 176.85 2wri s ARG 8 N 0.72 4.31 0.00 0.00 3.52 -1.26 0.92 118.95 127.17 2wri s ARG 8 Ca -0.12 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 2wri s ARG 8 Cb -0.16 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2wri s ARG 8 CO 0.03 0.11 0.00 1.19 -0.81 0.00 0.00 175.30 175.81 2wri n PHE 9 N 3.86 0.00 -4.29 5.12 3.72 0.20 -4.89 117.46 121.18 2wri n PHE 9 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2wri n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2wri n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wri n GLY 10 N 2.55 2.54 0.00 1.37 0.00 -1.25 -4.00 105.19 106.41 2wri n GLY 10 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wri n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wri n SER 11 N 0.11 1.16 -4.81 1.61 7.64 -1.20 -4.97 113.62 113.16 2wri n SER 11 Ca 0.00 -0.75 -0.33 0.00 1.01 0.00 0.00 58.87 58.80 2wri n SER 11 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wri n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2wri s LYS 12 N -1.26 3.46 -0.25 1.43 2.20 -1.26 -3.18 119.74 120.88 2wri s LYS 12 Ca 0.00 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 2wri s LYS 12 Cb 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2wri s LYS 12 CO 0.00 -0.69 0.00 0.72 -0.36 0.00 0.00 175.35 175.02 2wri n HIS 13 N -1.92 -0.27 -2.72 4.03 8.25 -1.26 -4.66 115.22 116.67 2wri n HIS 13 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 2wri n HIS 13 Cb 0.53 -1.24 0.02 0.00 1.12 0.00 0.00 29.99 30.41 2wri n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2wri n ASN 14 N 1.24 1.73 -4.49 0.41 5.15 -1.19 -5.12 115.26 112.99 2wri n ASN 14 Ca -0.02 -2.87 -0.49 0.00 -0.60 0.00 0.00 54.58 50.60 2wri n ASN 14 Cb 0.17 -0.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 2wri n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wri n PRO 15 N -0.06 0.50 -3.33 1.20 -0.02 -1.25 -3.26 135.00 128.78 2wri n PRO 15 Ca 0.15 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 2wri n PRO 15 Cb 0.77 -1.42 -0.07 0.00 -0.02 0.00 0.00 33.50 32.76 2wri n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wri s HIS 16 N -0.72 -0.88 0.31 6.00 3.76 -1.26 -4.52 115.29 117.98 2wri s HIS 16 Ca 0.68 0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 56.13 2wri s HIS 16 Cb -0.91 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 2wri s HIS 16 CO 0.56 -0.84 0.57 0.71 -0.85 0.00 0.00 174.74 174.90 2wri s TYR 17 N 2.54 3.48 -0.17 1.40 1.51 -0.78 0.58 117.35 125.90 2wri s TYR 17 Ca 0.11 0.66 0.01 0.00 -1.01 0.00 0.00 57.07 56.84 2wri s TYR 17 Cb -0.14 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2wri s TYR 17 CO -0.22 0.14 -0.19 0.50 -1.11 0.00 0.00 175.55 174.67 2wri s ARG 18 N -3.64 2.82 -0.65 -0.62 3.52 0.26 -0.65 118.95 120.00 2wri s ARG 18 Ca 0.44 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 2wri s ARG 18 Cb -0.11 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 2wri s ARG 18 CO 0.31 -0.22 1.51 0.42 -0.81 0.00 0.00 175.30 176.51 2wri s ILE 19 N 1.34 3.61 0.05 4.11 -1.09 0.88 -1.43 121.20 128.67 2wri s ILE 19 Ca 0.05 0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.94 2wri s ILE 19 Cb -0.13 -4.46 -0.03 0.00 -1.58 0.00 0.00 42.46 36.26 2wri s ILE 19 CO -0.12 -1.36 -0.19 0.54 -1.23 0.00 0.00 174.94 172.57 2wri s VAL 20 N 6.94 1.56 -0.42 2.92 0.11 -0.95 0.01 120.40 130.57 2wri s VAL 20 Ca 0.50 -1.21 -0.17 0.00 -2.93 0.00 0.00 61.98 58.17 2wri s VAL 20 Cb -0.10 -1.37 0.02 0.00 -1.53 0.00 0.00 36.38 33.39 2wri s VAL 20 CO 0.19 0.12 0.42 0.54 -3.33 0.00 0.00 175.10 173.05 2wri s VAL 21 N -0.87 5.11 0.11 2.04 0.11 -0.08 -1.76 120.40 125.06 2wri s VAL 21 Ca 0.06 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2wri s VAL 21 Cb -0.09 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 2wri s VAL 21 CO 0.02 -0.40 -0.09 0.28 -3.33 0.00 0.00 175.10 171.59 2wri s THR 22 N 2.09 0.89 0.52 5.04 -1.32 -0.99 -2.11 115.64 119.75 2wri s THR 22 Ca 0.11 -1.87 -0.22 0.00 -1.21 0.00 0.00 61.69 58.50 2wri s THR 22 Cb -0.17 -1.61 -0.06 0.00 -1.51 0.00 0.00 72.50 69.15 2wri s THR 22 CO 0.13 -0.74 1.29 -0.62 -2.21 0.00 0.00 174.62 172.47 2wri s ASP 23 N -2.88 5.58 0.24 8.08 -1.08 -1.26 -1.87 116.67 123.48 2wri s ASP 23 Ca 0.11 2.60 -0.07 0.00 -0.52 0.00 0.00 52.55 54.67 2wri s ASP 23 Cb 0.02 -2.62 0.24 0.00 -1.46 0.00 0.00 42.92 39.10 2wri s ASP 23 CO -0.02 -1.34 1.92 0.00 0.52 0.00 0.00 175.17 176.25 2wri h ALA 24 N 1.66 1.23 0.00 3.66 0.00 -1.84 -2.87 119.26 121.09 2wri h ALA 24 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wri h ALA 24 Cb 1.28 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wri h ALA 24 CO 0.58 0.62 0.00 0.54 0.00 0.00 0.00 179.25 181.00 2wri n ARG 25 N -4.41 0.65 -1.56 0.00 1.74 -1.26 -4.80 116.66 107.03 2wri n ARG 25 Ca 0.11 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 2wri n ARG 25 Cb 0.01 -1.13 0.09 0.00 -1.02 0.00 0.00 32.46 30.42 2wri n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wri n ARG 26 N -0.24 -0.17 -3.77 5.56 5.12 -1.09 -5.09 116.66 116.99 2wri n ARG 26 Ca 0.00 -1.50 -0.20 0.00 -1.93 0.00 0.00 57.85 54.22 2wri n ARG 26 Cb 0.06 -0.56 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 2wri n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2wri s LYS 27 N -4.29 3.32 0.23 5.56 -2.85 -1.26 -4.99 119.74 115.45 2wri s LYS 27 Ca 0.42 -0.84 -0.09 0.00 -1.00 0.00 0.00 55.97 54.46 2wri s LYS 27 Cb -0.02 -2.86 0.38 0.00 -2.06 0.00 0.00 37.83 33.27 2wri s LYS 27 CO 0.29 0.29 1.65 -0.09 0.10 0.00 0.00 175.35 177.58 2wri h ARG 28 N 1.06 0.12 -0.46 1.78 2.43 -1.96 -2.34 114.38 115.00 2wri h ARG 28 Ca -0.50 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.39 2wri h ARG 28 Cb 1.24 -0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.59 2wri h ARG 28 CO 0.58 0.08 -0.14 -0.25 -1.51 0.00 0.00 179.97 178.73 2wri n ASP 29 N -5.31 3.26 -2.03 -3.80 10.43 -1.26 -4.59 116.55 113.25 2wri n ASP 29 Ca 0.12 -3.80 0.00 0.00 2.57 0.00 0.00 54.79 53.68 2wri n ASP 29 Cb 0.42 -0.62 0.00 0.00 1.84 0.00 0.00 41.12 42.76 2wri n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wri n GLY 30 N -1.05 -0.01 3.75 0.44 0.00 -0.88 -4.96 105.19 102.48 2wri n GLY 30 Ca 0.37 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2wri n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wri s LYS 31 N -0.56 4.13 -0.07 1.61 2.20 -1.26 -4.96 119.74 120.83 2wri s LYS 31 Ca 0.00 2.56 0.05 0.00 -0.36 0.00 0.00 55.97 58.22 2wri s LYS 31 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2wri s LYS 31 CO 0.00 -0.63 -0.22 1.52 -0.36 0.00 0.00 175.35 175.66 2wri s TYR 32 N 0.13 2.53 0.64 4.03 -0.00 -1.26 -4.86 117.35 118.57 2wri s TYR 32 Ca 0.64 -0.68 0.29 0.00 -0.00 0.00 0.00 57.07 57.33 2wri s TYR 32 Cb -0.47 -1.65 1.58 0.00 -0.00 0.00 0.00 41.96 41.41 2wri s TYR 32 CO 0.46 -0.19 1.91 0.82 -0.00 0.00 0.00 175.55 178.55 2wri h ILE 33 N 5.08 0.11 0.00 -3.49 1.08 -1.78 -3.44 117.51 115.07 2wri h ILE 33 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2wri h ILE 33 Cb 1.18 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2wri h ILE 33 CO 0.49 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.16 2wri n GLU 34 N -3.13 0.00 -2.79 2.37 2.13 -0.93 -4.94 120.64 113.34 2wri n GLU 34 Ca 0.01 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2wri n GLU 34 Cb 0.45 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.10 2wri n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wri s LYS 35 N -0.03 4.76 0.00 5.31 2.20 -1.26 -0.90 119.74 129.81 2wri s LYS 35 Ca 0.00 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2wri s LYS 35 Cb 0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2wri s LYS 35 CO 0.00 0.47 0.86 0.44 -0.36 0.00 0.00 175.35 176.76 2wri n ILE 36 N 1.30 0.00 0.00 5.43 -5.35 0.10 -4.94 119.36 115.90 2wri n ILE 36 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2wri n ILE 36 Cb 0.48 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 2wri n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wri n GLY 37 N 0.00 2.86 3.30 3.28 0.00 -0.90 -1.88 105.19 111.85 2wri n GLY 37 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 2wri n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wri s TYR 38 N -2.00 1.46 -0.16 1.61 -0.85 -1.10 0.30 117.35 116.62 2wri s TYR 38 Ca 0.00 -0.78 -0.08 0.00 -0.52 0.00 0.00 57.07 55.69 2wri s TYR 38 Cb 0.00 -0.77 0.06 0.00 0.38 0.00 0.00 41.96 41.63 2wri s TYR 38 CO 0.00 0.09 0.37 -0.47 -1.52 0.00 0.00 175.55 174.02 2wri s TYR 39 N -3.29 -0.56 -0.56 -3.49 5.04 0.18 -2.84 117.35 111.83 2wri s TYR 39 Ca 0.22 1.19 -0.09 0.00 -2.44 0.00 0.00 57.07 55.96 2wri s TYR 39 Cb 0.03 0.20 0.15 0.00 0.35 0.00 0.00 41.96 42.69 2wri s TYR 39 CO 0.05 -0.34 0.44 0.34 -1.34 0.00 0.00 175.55 174.69 2wri s ASP 40 N 1.63 5.79 0.58 4.32 3.68 0.23 -1.87 116.67 131.02 2wri s ASP 40 Ca -0.08 -2.24 0.29 0.00 2.13 0.00 0.00 52.55 52.66 2wri s ASP 40 Cb -0.10 -2.02 1.45 0.00 -1.45 0.00 0.00 42.92 40.81 2wri s ASP 40 CO -0.12 -0.61 1.87 1.55 0.13 0.00 0.00 175.17 177.99 2wri h PRO 41 N 8.05 0.00 -0.37 4.34 0.13 -1.82 0.07 132.00 142.40 2wri h PRO 41 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2wri h PRO 41 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2wri h PRO 41 CO 0.82 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.13 2wri n ARG 42 N -3.75 2.26 -4.02 0.86 1.74 -1.26 -4.96 116.66 107.53 2wri n ARG 42 Ca 0.10 -1.92 -0.30 0.00 -0.77 0.00 0.00 57.85 54.96 2wri n ARG 42 Cb 0.74 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.66 2wri n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wri n LYS 43 N 1.12 -0.76 -1.01 5.56 4.01 0.01 -4.78 118.16 122.31 2wri n LYS 43 Ca 0.18 0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.80 2wri n LYS 43 Cb 0.51 -2.64 0.06 0.00 -0.51 0.00 0.00 35.03 32.45 2wri n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2wri n THR 44 N -4.12 2.99 0.00 -0.18 -2.24 -1.26 -4.81 114.28 104.67 2wri n THR 44 Ca -0.22 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 2wri n THR 44 Cb 0.55 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2wri n THR 44 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2wri n THR 45 N -0.12 0.00 -0.37 4.28 5.66 -1.26 -5.03 114.28 117.44 2wri n THR 45 Ca 0.41 0.00 0.32 0.00 -3.05 0.00 0.00 64.05 61.73 2wri n THR 45 Cb 0.68 0.00 0.59 0.00 -1.55 0.00 0.00 70.33 70.05 2wri n THR 45 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wri h PRO 46 N 0.00 0.08 -3.23 1.09 0.13 -2.02 -2.84 132.00 125.20 2wri h PRO 46 Ca 0.00 -0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.33 2wri h PRO 46 Cb 0.00 -0.02 -0.29 0.00 0.13 0.00 0.00 31.00 30.82 2wri h PRO 46 CO 0.00 0.05 0.54 -0.25 -0.23 0.00 0.00 178.00 178.11 2wri n ASP 47 N -5.05 5.80 -0.34 1.44 8.00 -1.26 -4.77 116.55 120.36 2wri n ASP 47 Ca 0.37 -3.22 0.12 0.00 0.71 0.00 0.00 54.79 52.77 2wri n ASP 47 Cb 1.30 -1.29 0.54 0.00 -0.02 0.00 0.00 41.12 41.64 2wri n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2wri n TRP 48 N 2.01 0.08 -3.30 1.24 4.27 -1.07 -4.79 117.44 115.87 2wri n TRP 48 Ca 0.25 -0.04 0.03 0.00 -3.89 0.00 0.00 57.50 53.85 2wri n TRP 48 Cb 0.36 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.28 2wri n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2wri s LEU 49 N -1.76 -0.45 0.17 5.67 2.96 -1.26 0.74 118.68 124.74 2wri s LEU 49 Ca 0.36 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 2wri s LEU 49 Cb 0.18 1.48 -0.05 0.00 0.50 0.00 0.00 46.19 48.31 2wri s LEU 49 CO 0.29 -0.09 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.38 2wri s LYS 50 N 2.47 1.16 -0.27 1.98 2.20 -1.13 -5.03 119.74 121.12 2wri s LYS 50 Ca -0.01 -1.51 -0.25 0.00 -0.36 0.00 0.00 55.97 53.84 2wri s LYS 50 Cb -0.06 -0.77 0.08 0.00 -1.51 0.00 0.00 37.83 35.57 2wri s LYS 50 CO -0.16 0.09 0.79 0.08 -0.36 0.00 0.00 175.35 175.80 2wri s VAL 51 N -3.23 0.00 -0.90 4.02 1.01 -1.26 -2.69 120.40 117.35 2wri s VAL 51 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2wri s VAL 51 Cb 0.02 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.50 2wri s VAL 51 CO 0.03 0.00 1.15 -0.62 0.00 0.00 0.00 175.10 175.66 2wri s ASP 52 N 0.38 6.52 0.13 3.32 3.68 -0.79 -4.90 116.67 125.01 2wri s ASP 52 Ca 0.00 -1.75 -0.33 0.00 2.13 0.00 0.00 52.55 52.61 2wri s ASP 52 Cb -0.05 -2.43 -0.11 0.00 -1.45 0.00 0.00 42.92 38.88 2wri s ASP 52 CO -0.01 -1.21 1.55 -0.37 0.13 0.00 0.00 175.17 175.25 2wri h VAL 53 N 6.02 0.00 0.00 1.11 -1.51 -1.98 -2.54 116.25 117.35 2wri h VAL 53 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 2wri h VAL 53 Cb 1.03 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2wri h VAL 53 CO 1.18 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.90 2wri n GLU 54 N -5.36 0.00 0.44 5.19 -0.58 -1.26 -1.93 120.64 117.13 2wri n GLU 54 Ca -0.03 0.47 -0.19 0.00 -0.42 0.00 0.00 57.16 56.99 2wri n GLU 54 Cb 0.33 -0.74 -0.09 0.00 -0.57 0.00 0.00 31.44 30.38 2wri n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wri h ARG 55 N 0.00 -1.06 -0.92 3.49 2.47 -1.96 -3.00 114.38 113.40 2wri h ARG 55 Ca 0.00 0.07 0.37 0.00 -1.26 0.00 0.00 59.98 59.16 2wri h ARG 55 Cb 0.00 0.24 -0.15 0.00 -1.65 0.00 0.00 29.97 28.41 2wri h ARG 55 CO 0.00 -0.70 0.52 0.00 0.56 0.00 0.00 179.97 180.36 2wri n ALA 56 N -2.59 0.94 0.13 0.04 0.00 -0.97 0.82 120.51 118.89 2wri n ALA 56 Ca -0.15 0.85 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 2wri n ALA 56 Cb 0.44 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 2wri n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wri h ARG 57 N 0.00 -0.35 -0.64 0.00 3.08 -1.25 -2.14 114.38 113.07 2wri h ARG 57 Ca 0.73 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.87 2wri h ARG 57 Cb 2.03 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 32.07 2wri h ARG 57 CO -0.60 -0.01 -0.52 -0.92 -1.07 0.00 0.00 179.97 176.85 2wri h TYR 58 N -0.78 -1.63 -0.61 3.04 5.03 0.55 0.91 116.97 123.48 2wri h TYR 58 Ca -0.04 0.10 0.12 0.00 2.58 0.00 0.00 58.73 61.49 2wri h TYR 58 Cb 0.51 0.79 -0.12 0.00 1.55 0.00 0.00 36.73 39.46 2wri h TYR 58 CO 0.04 -0.39 -0.19 -1.49 -1.32 0.00 0.00 178.16 174.81 2wri h TRP 59 N -0.18 -0.43 -0.76 -3.82 -0.00 -1.24 0.59 115.95 110.11 2wri h TRP 59 Ca 0.10 0.06 0.09 0.00 -0.00 0.00 0.00 58.89 59.14 2wri h TRP 59 Cb 0.45 0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 29.85 2wri h TRP 59 CO -0.87 -0.29 0.50 -0.07 -0.00 0.00 0.00 178.44 177.70 2wri h LEU 60 N -0.04 0.62 -1.67 -4.49 3.38 -0.26 -0.28 115.31 112.58 2wri h LEU 60 Ca 0.29 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2wri h LEU 60 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wri h LEU 60 CO -0.65 0.38 0.00 -1.54 0.09 0.00 0.00 178.44 176.72 2wri n SER 61 N -4.50 1.93 -0.46 -0.43 3.41 0.20 -2.72 113.62 111.07 2wri n SER 61 Ca 0.12 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 2wri n SER 61 Cb 0.31 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2wri n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2wri n VAL 62 N 0.42 0.00 0.00 -3.33 0.24 -0.15 -5.00 118.33 110.51 2wri n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wri n VAL 62 Cb 0.34 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 2wri n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wri n GLY 63 N 0.00 1.06 3.73 7.63 0.00 -1.10 -5.04 105.19 111.47 2wri n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wri n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri s ALA 64 N -2.00 3.37 -0.56 4.61 0.00 -1.01 -4.45 121.76 121.73 2wri s ALA 64 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2wri s ALA 64 Cb 0.00 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.87 2wri s ALA 64 CO 0.00 -0.31 0.32 -0.65 0.00 0.00 0.00 175.76 175.12 2wri s GLN 65 N 0.26 2.16 0.48 0.00 -1.52 -0.78 -4.73 119.66 115.53 2wri s GLN 65 Ca 0.53 -2.63 -0.24 0.00 -1.95 0.00 0.00 55.36 51.07 2wri s GLN 65 Cb -0.29 -3.44 -0.07 0.00 -0.22 0.00 0.00 33.01 28.99 2wri s GLN 65 CO 0.33 -1.13 1.35 -1.25 -0.25 0.00 0.00 175.29 174.33 2wri s PRO 66 N -0.28 3.55 1.01 2.91 0.04 -1.26 -3.04 135.00 137.94 2wri s PRO 66 Ca 0.17 2.23 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 2wri s PRO 66 Cb -0.24 -2.51 0.20 0.00 0.04 0.00 0.00 34.50 31.99 2wri s PRO 66 CO -0.01 -0.86 1.08 0.99 0.04 0.00 0.00 177.00 178.23 2wri s THR 67 N -1.29 2.24 0.05 1.26 2.01 -1.15 -4.65 115.64 114.12 2wri s THR 67 Ca 0.64 0.08 -0.33 0.00 0.31 0.00 0.00 61.69 62.39 2wri s THR 67 Cb -0.40 -2.40 -0.19 0.00 0.01 0.00 0.00 72.50 69.52 2wri s THR 67 CO 0.50 -0.10 1.47 0.44 -0.69 0.00 0.00 174.62 176.23 2wri h ASP 68 N -2.00 -0.92 0.34 3.53 3.32 -1.95 0.15 116.42 118.89 2wri h ASP 68 Ca -0.54 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2wri h ASP 68 Cb 1.31 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.10 2wri h ASP 68 CO 0.53 -0.61 0.00 1.07 -1.72 0.00 0.00 179.24 178.51 2wri n THR 69 N -5.53 0.80 -0.06 0.35 5.66 -1.26 -2.09 114.28 112.15 2wri n THR 69 Ca -0.14 0.20 -0.05 0.00 -3.05 0.00 0.00 64.05 61.01 2wri n THR 69 Cb 0.44 -0.97 -0.03 0.00 -1.55 0.00 0.00 70.33 68.21 2wri n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wri h ALA 70 N 2.58 0.02 -0.36 1.79 0.00 -1.69 -3.31 119.26 118.29 2wri h ALA 70 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2wri h ALA 70 Cb 0.17 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2wri h ALA 70 CO 0.00 0.14 -0.32 -0.09 0.00 0.00 0.00 179.25 178.97 2wri h ARG 71 N -1.00 -0.26 -0.81 0.00 2.43 -0.48 -0.04 114.38 114.21 2wri h ARG 71 Ca -0.02 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.40 2wri h ARG 71 Cb 0.35 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 29.81 2wri h ARG 71 CO -0.01 -0.18 0.05 -2.13 -1.51 0.00 0.00 179.97 176.19 2wri n ARG 72 N -5.41 -0.06 0.09 0.20 0.63 -0.89 0.92 116.66 112.14 2wri n ARG 72 Ca 0.00 1.21 -0.22 0.00 -0.92 0.00 0.00 57.85 57.92 2wri n ARG 72 Cb 0.33 -1.95 -0.14 0.00 0.45 0.00 0.00 32.46 31.16 2wri n ARG 72 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2wri h LEU 73 N 0.00 0.84 -0.57 6.15 3.38 -1.25 -2.73 115.31 121.12 2wri h LEU 73 Ca 0.51 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2wri h LEU 73 Cb 1.08 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2wri h LEU 73 CO -0.76 1.60 0.27 -0.07 0.09 0.00 0.00 178.44 179.57 2wri h LEU 74 N 0.19 0.35 0.67 1.67 3.38 0.23 -2.33 115.31 119.47 2wri h LEU 74 Ca -0.19 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2wri h LEU 74 Cb 1.92 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.66 2wri h LEU 74 CO 0.23 0.23 -0.32 -0.09 0.09 0.00 0.00 178.44 178.58 2wri h ARG 75 N 0.50 -0.86 0.00 1.13 2.43 -0.20 -2.39 114.38 114.98 2wri h ARG 75 Ca 0.27 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2wri h ARG 75 Cb 0.24 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wri h ARG 75 CO -0.22 -0.54 0.65 0.37 -1.51 0.00 0.00 179.97 178.72 2wri h GLN 76 N -1.02 0.00 0.18 0.20 4.15 -1.15 2.35 115.11 119.82 2wri h GLN 76 Ca -0.09 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.05 2wri h GLN 76 Cb 0.72 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.43 2wri h GLN 76 CO 0.15 0.00 -1.29 0.00 -1.93 0.00 0.00 178.83 175.76 2wri h ALA 77 N 0.46 -0.03 0.00 3.38 0.00 -0.90 -3.48 119.26 118.69 2wri h ALA 77 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2wri h ALA 77 Cb 1.30 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wri h ALA 77 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2wri n GLY 78 N 1.73 1.41 0.32 0.00 0.00 0.79 -5.04 105.19 104.39 2wri n GLY 78 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2wri n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wri h VAL 79 N 0.00 1.24 0.04 1.61 2.07 -1.54 -3.29 116.25 116.38 2wri h VAL 79 Ca 0.00 -0.82 -0.31 0.00 0.82 0.00 0.00 66.70 66.39 2wri h VAL 79 Cb 0.00 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2wri h VAL 79 CO 0.00 0.32 -1.74 -0.26 0.02 0.00 0.00 177.57 175.91 2wri h PHE 80 N 0.94 0.15 -1.43 1.57 -1.00 -1.81 -3.47 116.94 111.88 2wri h PHE 80 Ca 0.21 -0.11 -0.70 0.00 2.81 0.00 0.00 57.97 60.18 2wri h PHE 80 Cb 0.27 -0.01 0.07 0.00 3.61 0.00 0.00 35.95 39.90 2wri h PHE 80 CO 0.02 1.22 0.08 -2.13 -1.61 0.00 0.00 178.31 175.89 2wri n ARG 81 N -3.19 0.57 -0.20 1.51 0.63 -1.24 -4.88 116.66 109.85 2wri n ARG 81 Ca -0.20 0.20 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 2wri n ARG 81 Cb 1.05 -1.63 0.16 0.00 0.45 0.00 0.00 32.46 32.48 2wri n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri n GLN 82 N 1.63 2.88 0.00 -0.14 0.00 -1.26 -4.98 117.38 115.51 2wri n GLN 82 Ca 0.18 -2.12 0.00 0.00 0.00 0.00 0.00 57.00 55.06 2wri n GLN 82 Cb 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.10 2wri n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2wri n GLU 83 N 0.31 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 116.43 2wri n GLU 83 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2wri n GLU 83 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 2wri n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65